[
  {
    "molid": "mol35470",
    "smiles": "Cc1cc([As](=O)(O)O)ccc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc([As](=O)(O)O)ccc1N",
        "std_free_energy": -3.6045148372650146,
        "relative_population": 0.7309157705666705
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc([As](=O)([O-])O)ccc1[NH3+]",
        "std_free_energy": -2.605241060256958,
        "relative_population": 0.2690842294333296
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc([As](O)(O)=[OH+])ccc1N",
        "std_free_energy": 4.064532279968262,
        "relative_population": 0.5202672236994279
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc([As](=O)(O)O)ccc1[NH3+]",
        "std_free_energy": 4.145645618438721,
        "relative_population": 0.479732776300572
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]