[
  {
    "molid": "mol37202",
    "smiles": "O=S(=O)(O)CNc1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])C[NH2+]c1ccc(Cl)cc1",
        "std_free_energy": -0.5711341500282288,
        "relative_population": 0.0875176810221666
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=S(=O)(O)CNc1ccc(Cl)cc1",
        "std_free_energy": -2.915462017059326,
        "relative_population": 0.9124823189778334
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CNc1ccc(Cl)cc1",
        "std_free_energy": -11.081781387329102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.259999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]