[
  {
    "molid": "mol35355",
    "smiles": "Cc1cc(N)ccc1[As](=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N)ccc1[As](=O)(O)O",
        "std_free_energy": -3.531907796859741,
        "relative_population": 0.5586198834039109
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc([NH3+])ccc1[As](=O)([O-])O",
        "std_free_energy": -3.2963449954986572,
        "relative_population": 0.4413801165960891
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(N)ccc1[As](=O)([O-])O",
        "std_free_energy": -10.313173294067383,
        "relative_population": 0.9996050955726671
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]