[
  {
    "molid": "mol35160",
    "smiles": "CCC1(CC)C(=O)NC(=O)N(C(=O)c2cccc(OC)c2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1(CC)C(=O)NC(=O)N(C(=O)c2cccc(OC)c2)C1=O",
        "std_free_energy": -5.327580451965332,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC1(CC)C(=O)[N-]C(=O)N(C(=O)c2cccc(OC)c2)C1=O",
        "std_free_energy": -5.126092433929443,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.51000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]