[
  {
    "molid": "mol38454",
    "smiles": "N=C(N)c1cccc(N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)c1cccc(N)c1",
        "std_free_energy": -0.4188801646232605,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=[NH2+])c1cccc(N)c1",
        "std_free_energy": -11.82036304473877,
        "relative_population": 0.9714292063293207
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3500003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]