[
  {
    "molid": "mol33139",
    "smiles": "CC(=O)Nc1ccc([As](=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc([As](=O)(O)O)cc1",
        "std_free_energy": -2.75008487701416,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc([As](=O)([O-])O)cc1",
        "std_free_energy": -10.373923301696777,
        "relative_population": 0.9999999557767566
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)Nc1ccc([As](=O)([O-])[O-])cc1",
        "std_free_energy": -8.63699722290039,
        "relative_population": 0.9999998665300804
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.72000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]