[
  {
    "molid": "mol28187",
    "smiles": "Oc1ccccc1S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccccc1S",
        "std_free_energy": -4.781474590301514,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1S",
        "std_free_energy": -2.2034502029418945,
        "relative_population": 0.05077444963708002
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1ccccc1[S-]",
        "std_free_energy": -5.1317033767700195,
        "relative_population": 0.9492255503629199
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]