[
  {
    "molid": "mol35697",
    "smiles": "Cc1ccc2c(c1)OC(O)C(=O)N2O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc2c(c1)O[C@@H](O)C(=O)N2[O-]",
        "std_free_energy": -3.230247735977173,
        "relative_population": 0.9116174340577844
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1ccc2c(c1)O[C-](O)C(=O)N2O",
        "std_free_energy": -0.813865602016449,
        "relative_population": 0.08135630114663579
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1ccc2c(c1)O[C-]([O-])C(=O)N2O",
        "std_free_energy": 1.3188310861587524,
        "relative_population": 0.9908174724091104
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5600004196167,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]