[
  {
    "molid": "mol27206",
    "smiles": "CC(=O)c1ccc(C(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1ccc(C(N)=O)cc1",
        "std_free_energy": -7.031901836395264,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)c1ccc(C(N)=[OH+])cc1",
        "std_free_energy": 10.748616218566895,
        "relative_population": 0.3863661059037247
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=[OH+])c1ccc(C(N)=O)cc1",
        "std_free_energy": 10.286003112792969,
        "relative_population": 0.6136338940962753
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]