[
  {
    "molid": "mol28389",
    "smiles": "O=S(=O)(O)Oc1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(O)Oc1cccc(Cl)c1",
        "std_free_energy": 17.380218505859375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])Oc1cccc(Cl)c1",
        "std_free_energy": -13.204902648925781,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]