pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36	IUPAC digitized pKa	0	-1	Nc1ncnc(S)c1N	Nc1ncnc([S-])c1N	mol7298	Nc1ncnc(S)c1N
9.33	IUPAC digitized pKa	0	-1	Nc1ncnc(S)c1N	Nc1ncnc([S-])c1N	mol7298	Nc1ncnc(S)c1N
9.34	Datawarrior	0	-1	Nc1ncnc(S)c1N	Nc1ncnc([S-])c1N	mol7298	Nc1ncnc(S)c1N
9.3400002	OCHEM	0	-1	Nc1ncnc(S)c1N	Nc1ncnc([S-])c1N	mol7298	Nc1ncnc(S)c1N
2.27	IUPAC digitized pKa	1	0	Nc1[nH+]cnc(S)c1N,Nc1nc[nH+]c(S)c1N,Nc1c([NH3+])ncnc1S,Nc1ncnc(S)c1[NH3+]	Nc1ncnc(S)c1N	mol7298	Nc1ncnc(S)c1N
2.17	IUPAC digitized pKa	1	0	Nc1[nH+]cnc(S)c1N,Nc1nc[nH+]c(S)c1N,Nc1c([NH3+])ncnc1S,Nc1ncnc(S)c1[NH3+]	Nc1ncnc(S)c1N	mol7298	Nc1ncnc(S)c1N
2.21	Datawarrior	1	0	Nc1[nH+]cnc(S)c1N,Nc1nc[nH+]c(S)c1N,Nc1c([NH3+])ncnc1S,Nc1ncnc(S)c1[NH3+]	Nc1ncnc(S)c1N	mol7298	Nc1ncnc(S)c1N