[
  {
    "molid": "mol34406",
    "smiles": "COc1ccc(O)c(CN(CC(=O)O)CC(=O)O)c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "COc1ccc([O-])c(CN(CC(=O)[O-])CC(=O)[O-])c1",
        "std_free_energy": 3.1620073318481445,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "COc1ccc(O)c(CN(CC(=O)[O-])CC(=O)[O-])c1",
        "std_free_energy": -10.085768699645996,
        "relative_population": 0.9940226350462266
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.5,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]