[
  {
    "molid": "mol10692",
    "smiles": "CN(C)C(=O)N=CC=CC=CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C(=O)N=CC=CC=CO",
        "std_free_energy": -6.282642364501953,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C(=O)[NH+]=CC=CC=CO",
        "std_free_energy": 1.6434273719787598,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN(C)C(=[OH+])[NH+]=CC=CC=CO",
        "std_free_energy": 19.995943069458008,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C(=O)N=CC=CC=C[O-]",
        "std_free_energy": -1.5198767185211182,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -1.8,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]