[
  {
    "molid": "mol24801",
    "smiles": "CC(=O)CCN1NC(=O)CCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CCN1NC(=O)CCC1=O",
        "std_free_energy": -6.450248718261719,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)CCN1[N-]C(=O)CCC1=O",
        "std_free_energy": 1.1127649545669556,
        "relative_population": 0.9441755741709965
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[CH-]CN1NC(=O)CCC1=O",
        "std_free_energy": 3.94088077545166,
        "relative_population": 0.05582357758755196
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]