[
  {
    "molid": "mol1129",
    "smiles": "[H]/N=C(\\c1ccccc1)c1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1ccccc1Cl",
        "std_free_energy": -4.4294610023498535,
        "relative_population": 0.4728723386957558
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N=C(c1ccccc1)c1ccccc1Cl",
        "std_free_energy": -4.538078308105469,
        "relative_population": 0.5271276613042442
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH2+]=C(c1ccccc1)c1ccccc1Cl",
        "std_free_energy": -2.751891613006592,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]