pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.75	AttenGpKa training set	0	-1	CC(=O)N[C@@H](CS)C(N)=O	CC(=O)N[C@@H](C[S-])C(N)=O	mol29430	CC(=O)NC(CS)C(N)=O