pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	AttenGpKa training set	0	-1	N#C/C(=N\Nc1ccccc1)C(=N)SCc1ccccc1	N#C/C(=N\Nc1ccccc1)C(=[N-])SCc1ccccc1,N#C/C(=N\[N-]c1ccccc1)C(=N)SCc1ccccc1	mol24926	N#C/C(=N\Nc1ccccc1)C(=N)SCc1ccccc1