[
  {
    "molid": "mol38570",
    "smiles": "NC(CS)C(=O)NC(CS)C(=O)O",
    "microspecies": [
      {
        "id": "0_11",
        "charge": 0,
        "smiles": "[NH3+][C@@H](CS)C(=O)N[C@@H](CS)C(=O)[O-]",
        "std_free_energy": -10.32792854309082,
        "relative_population": 0.9997761817869417
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "[NH3+][C@@H](CS)C(=O)N[C@@H](CS)C(=O)O",
        "std_free_energy": -0.9608058929443359,
        "relative_population": 0.9752794657687843
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.65000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]