[
  {
    "molid": "mol33222",
    "smiles": "N=C(N)NC(N)=Nc1ccc2ccccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NC(N)=Nc1ccc2ccccc2c1",
        "std_free_energy": -0.9947311878204346,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=[NH2+])NC(N)=Nc1ccc2ccccc2c1",
        "std_free_energy": -9.339418411254883,
        "relative_population": 0.6346983365909699
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N=C(N)NC(N)=[NH+]c1ccc2ccccc2c1",
        "std_free_energy": -8.786992073059082,
        "relative_population": 0.3653016634090301
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]