[
  {
    "molid": "mol15391",
    "smiles": "CC(=O)c1ccccc1NN=C1C(=O)CC(C)(C)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1ccccc1NN=C1C(=O)CC(C)(C)CC1=O",
        "std_free_energy": -6.930088043212891,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1ccccc1[N-]N=C1C(=O)CC(C)(C)CC1=O",
        "std_free_energy": 2.586437463760376,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]