[
  {
    "molid": "mol21295",
    "smiles": "CC1NC(NCC(F)F)=Nc2cccc(Cl)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1NC(NCC(F)F)=Nc2cccc(Cl)c21",
        "std_free_energy": -3.8273143768310547,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1NC([N-]CC(F)F)=Nc2cccc(Cl)c21",
        "std_free_energy": 9.906745910644531,
        "relative_population": 0.7259338953882122
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H]1[N-]C(NCC(F)F)=Nc2cccc(Cl)c21",
        "std_free_energy": 10.88083553314209,
        "relative_population": 0.2740661046117877
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]