[
  {
    "molid": "mol34419",
    "smiles": "S=C(S)Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=C(S)Nc1ccccc1",
        "std_free_energy": -3.3059422969818115,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "S=C([S-])Nc1ccccc1",
        "std_free_energy": -12.34841537475586,
        "relative_population": 0.9999988861394428
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]