[
  {
    "molid": "mol15877",
    "smiles": "NNC(=O)CF",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNC(=O)CF",
        "std_free_energy": -6.55872106552124,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NNC(=O)[CH-]F",
        "std_free_energy": 6.89973783493042,
        "relative_population": 0.06519839337706937
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[N-]C(=O)CF",
        "std_free_energy": 4.236838340759277,
        "relative_population": 0.9348016066229305
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]