[
  {
    "molid": "mol9743",
    "smiles": "O=[As](O)(O)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[As](O)(O)c1ccccc1O",
        "std_free_energy": -2.4884896278381348,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=[As]([O-])([O-])c1ccccc1[O-]",
        "std_free_energy": 4.4363484382629395,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[As]([O-])(O)c1ccccc1O",
        "std_free_energy": -10.505939483642578,
        "relative_population": 0.9995409464255038
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[As]([O-])([O-])c1ccccc1O",
        "std_free_energy": -9.733610153198242,
        "relative_population": 0.9999234787517595
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.92,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.27,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]