[
  {
    "molid": "mol35944",
    "smiles": "O=S(=O)(NC1CCCCC1)NC1CCCCC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([N-]C1CCCCC1)NC1CCCCC1",
        "std_free_energy": 2.90999698638916,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([N-]C1CCCCC1)[N-]C1CCCCC1",
        "std_free_energy": 9.149223327636719,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]