[
  {
    "molid": "mol9187",
    "smiles": "CC1NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1NC(=O)NC1=O",
        "std_free_energy": -6.769343376159668,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1[N-]C(=O)NC1=O",
        "std_free_energy": -0.23345822095870972,
        "relative_population": 0.5164979314794829
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H]1NC(=O)[N-]C1=O",
        "std_free_energy": -0.16744253039360046,
        "relative_population": 0.48350206852051714
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]