[
  {
    "molid": "mol9030",
    "smiles": "O=C1NCNC(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NCNC(=O)N1",
        "std_free_energy": -7.027032852172852,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)NCN1",
        "std_free_energy": 3.0449485778808594,
        "relative_population": 0.14745693616653377
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-]CNC(=O)N1",
        "std_free_energy": 1.2902610301971436,
        "relative_population": 0.8525430638334662
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]