pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.68	IUPAC digitized pKa	1	0	C[NH2+]c1ncnc2nccnc12,CNc1ncnc2[nH+]ccnc12,CNc1nc[nH+]c2nccnc12,CNc1[nH+]cnc2nccnc12,CNc1ncnc2ncc[nH+]c12	CNc1ncnc2nccnc12	mol4831	CNc1ncnc2nccnc12
3.7	AttenGpKa training set	1	0	C[NH2+]c1ncnc2nccnc12,CNc1ncnc2[nH+]ccnc12,CNc1nc[nH+]c2nccnc12,CNc1[nH+]cnc2nccnc12,CNc1ncnc2ncc[nH+]c12	CNc1ncnc2nccnc12	mol4831	CNc1ncnc2nccnc12