[
  {
    "molid": "mol33773",
    "smiles": "O=S(=O)(O)CNc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(O)CNc1ccccc1",
        "std_free_energy": -3.347561836242676,
        "relative_population": 0.7919571768959538
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)([O-])C[NH2+]c1ccccc1",
        "std_free_energy": -2.010798454284668,
        "relative_population": 0.20804282310404612
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CNc1ccccc1",
        "std_free_energy": -10.903789520263672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.920000016689301,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]