pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	IUPAC digitized pKa	1	0	Cc1cccc(Sc2cnc([NH3+])nc2O)c1,Cc1cccc(Sc2cnc(N)[nH+]c2O)c1,Cc1cccc(Sc2c[nH+]c(N)nc2O)c1	Cc1cccc(Sc2cnc(N)nc2O)c1	mol7082	Cc1cccc(Sc2cnc(N)nc2O)c1