[
  {
    "molid": "mol11797",
    "smiles": "O=C(O)CC[As](CCC(=O)O)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC[As](CCC(=O)O)c1ccc(Cl)cc1",
        "std_free_energy": -2.588641881942749,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CC[As](CCC(=O)O)c1ccc(Cl)cc1",
        "std_free_energy": -8.43271255493164,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CC[As](CCC(=O)[O-])c1ccc(Cl)cc1",
        "std_free_energy": -9.743156433105469,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.17,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]