pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.48	AttenGpKa training set	-1	-2	O=C([O-])CSC(=N\Nc1ccccc1)/N=N/c1ccccc1	O=C([O-])CSC(=N\[N-]c1ccccc1)/N=N/c1ccccc1	mol24944	O=C(O)CSC(=N\Nc1ccccc1)/N=N/c1ccccc1