[
  {
    "molid": "mol34026",
    "smiles": "O=C(O)Cc1nsc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1nsc2ccccc12",
        "std_free_energy": -4.022507190704346,
        "relative_population": 0.9967720369268397
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cc1nsc2ccccc12",
        "std_free_energy": -11.41944694519043,
        "relative_population": 0.9999999452620935
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.58999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]