[
  {
    "molid": "mol35167",
    "smiles": "CCC1(CC)C(=O)N=C(OC(C)C)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCC1(CC)C(=O)N=C(OC(C)C)NC1=O",
        "std_free_energy": -5.861990928649902,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC1(CC)C(=O)N=C(OC(C)C)[N-]C1=O",
        "std_free_energy": -4.102295875549316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]