[
  {
    "molid": "mol24108",
    "smiles": "c1ccc(/N=N/N(c2ccccc2)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(/N=N/N(c2ccccc2)c2ccccc2)cc1",
        "std_free_energy": -8.02276611328125,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(/N=[NH+]/N(c2ccccc2)c2ccccc2)cc1",
        "std_free_energy": 11.125737190246582,
        "relative_population": 0.11835046299609625
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(/N=N/[NH+](c2ccccc2)c2ccccc2)cc1",
        "std_free_energy": 9.117592811584473,
        "relative_population": 0.8816495370039037
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.31,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]