[
  {
    "molid": "mol35535",
    "smiles": "Nc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc([As](=O)(O)O)cc1[N+](=O)[O-]",
        "std_free_energy": -3.107194423675537,
        "relative_population": 0.9999797100989932
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc([As](=O)(O)O)cc1[N+](=O)[O-]",
        "std_free_energy": 12.627985000610352,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.51999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]