[
  {
    "molid": "mol21288",
    "smiles": "CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c21",
        "std_free_energy": -4.7395524978637695,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1NC(NCC(F)F)=[NH+]c2c(Cl)ccc(Cl)c21",
        "std_free_energy": -5.830126762390137,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]