[
  {
    "molid": "mol33769",
    "smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1cc([As](=O)(O)O)ccc1O",
        "std_free_energy": -3.113419771194458,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)Nc1cc([As](=O)([O-])O)ccc1O",
        "std_free_energy": -8.941405296325684,
        "relative_population": 0.9968560566502584
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.07999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]