[
  {
    "molid": "mol25931",
    "smiles": "C[S+]([O-])c1ccsc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[S@@+](O)c1ccsc1C(=O)[O-]",
        "std_free_energy": -4.2518229484558105,
        "relative_population": 0.834388239914218
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[S@@+]([O-])c1ccsc1C(=O)O",
        "std_free_energy": -2.634770393371582,
        "relative_population": 0.165611760085782
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[S@@+]([O-])c1ccsc1C(=O)[O-]",
        "std_free_energy": -10.664206504821777,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]