[
  {
    "molid": "mol1151",
    "smiles": "[H]/N=C(\\c1ccccc1)c1c(C)cccc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[H]/N=C(\\c1ccccc1)c1c(C)cccc1C",
        "std_free_energy": -3.1944236755371094,
        "relative_population": 0.5000013709068298
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cccc(C)c1C(=N)c1ccccc1",
        "std_free_energy": -3.19441819190979,
        "relative_population": 0.4999986290931702
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C)c1C(=[NH2+])c1ccccc1",
        "std_free_energy": -6.511955261230469,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]