pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.9	AttenGpKa training set	1	0	CC/N=C/C=C/C=C/[NH2+]CC,CCN/C=C/C=C/C=[NH+]/CC	CC/N=C/C=C/C=C/NCC	mol31163	CC/N=C/C=C/C=C/NCC