pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.58	IUPAC digitized pKa	0	-1	CCOC(=O)c1cnc(S)nc1N	CCOC(=O)c1cnc([S-])nc1N	mol7057	CCOC(=O)c1cnc(S)nc1N
0.6	IUPAC digitized pKa	1	0	CCOC(=O)c1cnc(S)[nH+]c1N,CCOC(=O)c1cnc(S)nc1[NH3+],CCOC(=O)c1c[nH+]c(S)nc1N	CCOC(=O)c1cnc(S)nc1N	mol7057	CCOC(=O)c1cnc(S)nc1N