pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	AttenGpKa training set	1	0	CNc1ncc[nH+]c1N,CNc1nccnc1[NH3+],C[NH2+]c1nccnc1N,CNc1[nH+]ccnc1N	CNc1nccnc1N	mol25698	CNc1nccnc1N
2.05	AttenGpKa training set	2	1	CNc1ncc[nH+]c1[NH3+],C[NH2+]c1[nH+]ccnc1N,CNc1[nH+]cc[nH+]c1N,C[NH2+]c1ncc[nH+]c1N,CNc1[nH+]ccnc1[NH3+],C[NH2+]c1nccnc1[NH3+]	CNc1ncc[nH+]c1N,CNc1nccnc1[NH3+],C[NH2+]c1nccnc1N,CNc1[nH+]ccnc1N	mol25698	CNc1nccnc1N