[
  {
    "molid": "mol1153",
    "smiles": "[H]/N=C(\\c1ccccc1)c1cccc(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(C(=N)c2ccccc2)c1",
        "std_free_energy": -3.821445941925049,
        "relative_population": 0.5012256478555959
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1cccc(OC)c1",
        "std_free_energy": -3.8165433406829834,
        "relative_population": 0.49877435214440413
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc(C(=[NH2+])c2ccccc2)c1",
        "std_free_energy": -4.11491584777832,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]