[
  {
    "molid": "mol37107",
    "smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)NO",
    "microspecies": [
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)[N-]O",
        "std_free_energy": -4.154537677764893,
        "relative_population": 0.44276148974751023
      },
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)N[O-]",
        "std_free_energy": -4.238760471343994,
        "relative_population": 0.48166748978584695
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)NO",
        "std_free_energy": -12.016366958618164,
        "relative_population": 0.9995512331765335
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9399995803833,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]