[
  {
    "molid": "mol34399",
    "smiles": "COc1ccc(NCS(=O)(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NCS(=O)(=O)O)cc1",
        "std_free_energy": -3.1962692737579346,
        "relative_population": 0.41824273011601437
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc([NH2+]CS(=O)(=O)[O-])cc1",
        "std_free_energy": -3.5262606143951416,
        "relative_population": 0.5817572698839856
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(NCS(=O)(=O)[O-])cc1",
        "std_free_energy": -9.485877990722656,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.75999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]