[
  {
    "molid": "mol34680",
    "smiles": "CC(=O)C(=NNc1ccc(C)cc1)C(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(=NNc1ccc(C)cc1)C(C)=O",
        "std_free_energy": -6.793305397033691,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(=NNc1ccc(C)cc1)C(C)=O",
        "std_free_energy": 1.0546095371246338,
        "relative_population": 0.42570523534468896
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)C(=N[N-]c1ccc(C)cc1)C(C)=O",
        "std_free_energy": 0.7552139163017273,
        "relative_population": 0.5742947646553109
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1899995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]