pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.47	IUPAC digitized pKa	1	0	CCSc1ccc2c(c1)[NH+]=CN[C@@H]2O	CCSc1ccc2c(c1)N=CN[C@@H]2O	mol7906	CCSc1ccc2c(c1)N=CNC2O