pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	IUPAC digitized pKa	1	0	Cc1c(Cc2ccccc2)sc2nc(N)[nH+]c(N)c12,Cc1c(Cc2ccccc2)sc2nc(N)nc([NH3+])c12,Cc1c(Cc2ccccc2)sc2[nH+]c(N)nc(N)c12,Cc1c(Cc2ccccc2)sc2nc([NH3+])nc(N)c12	Cc1c(Cc2ccccc2)sc2nc(N)nc(N)c12	mol8007	Cc1c(Cc2ccccc2)sc2nc(N)nc(N)c12