[
  {
    "molid": "mol27519",
    "smiles": "CNC(=O)NC(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)NC(C)=O",
        "std_free_energy": -7.1711907386779785,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(=O)[N-]C(C)=O",
        "std_free_energy": 4.8400983810424805,
        "relative_population": 0.36859311315851223
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[N-]C(=O)NC(C)=O",
        "std_free_energy": 4.3018412590026855,
        "relative_population": 0.6314068868414878
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]