pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	1	0	COC(=[OH+])c1ncn(C2CCCCC2)c1N,COC(=O)c1ncn(C2CCCCC2)c1[NH3+],COC(=O)c1[nH+]cn(C2CCCCC2)c1N	COC(=O)c1ncn(C2CCCCC2)c1N	mol25537	COC(=O)c1ncn(C2CCCCC2)c1N