[
  {
    "molid": "mol36367",
    "smiles": "O=C1OC(c2c[nH]c3ccccc23)(c2c(C(=O)O)[nH]c3c(Cl)cccc23)c2ccccc21",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C1O[C@@](c2c[n-]c3ccccc23)(c2c(C(=O)[O-])[n-]c3c(Cl)cccc23)c2ccccc21",
        "std_free_energy": 7.092450141906738,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C1O[C@@](c2c[nH]c3ccccc23)(c2c(C(=O)[O-])[n-]c3c(Cl)cccc23)c2ccccc21",
        "std_free_energy": 2.43428373336792,
        "relative_population": 0.9628629646948992
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]