[
  {
    "molid": "mol37581",
    "smiles": "O=C(O)[C@@H]1CSC([C@@H](O)[C@@H](O)[C@H](O)CO)N1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1CS[C@@H]([C@@H](O)[C@@H](O)[C@H](O)CO)[NH2+]1",
        "std_free_energy": -8.85215950012207,
        "relative_population": 0.9942465617071511
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1CS[C@@H]([C@@H](O)[C@@H](O)[C@H](O)CO)N1",
        "std_free_energy": -9.996620178222656,
        "relative_population": 0.9999996711300009
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]