[
  {
    "molid": "mol18095",
    "smiles": "CC(C)CNC(=O)CNC(=O)c1nccc(O)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)CNC(=O)CNC(=O)c1nccc(O)c1O",
        "std_free_energy": -6.779613018035889,
        "relative_population": 0.9999839187380434
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CNC(=O)CNC(=O)c1nccc(O)c1[O-]",
        "std_free_energy": -3.0649333000183105,
        "relative_population": 0.7047891220338881
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)CNC(=O)CNC(=O)c1nccc([O-])c1O",
        "std_free_energy": -2.1944632530212402,
        "relative_population": 0.2951337352338504
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]