pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3	AttenGpKa training set	1	0	C/[NH+]=C1\CCCc2oc3cccc(N(C)C)c3c21	C/N=C1\CCCc2oc3cccc(N(C)C)c3c21	mol24010	C/N=C1\CCCc2oc3cccc(N(C)C)c3c21