[
  {
    "molid": "mol36807",
    "smiles": "Oc1nc(S)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1nc(S)nc2ccccc12",
        "std_free_energy": -6.1270246505737305,
        "relative_population": 0.999998297433123
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1nc(S)nc2ccccc12",
        "std_free_energy": -4.989798069000244,
        "relative_population": 0.7395088676509428
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1nc([S-])nc2ccccc12",
        "std_free_energy": -3.946380615234375,
        "relative_population": 0.2604911323490572
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]