[
  {
    "molid": "mol3389",
    "smiles": "Cc1ccc(/N=N/c2ccc(N)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(/N=N/c2ccc(N)cc2)cc1",
        "std_free_energy": -7.22675895690918,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(/N=[NH+]/c2ccc(N)cc2)cc1",
        "std_free_energy": 2.6181492805480957,
        "relative_population": 0.18030572139854523
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(/N=N/c2ccc([NH3+])cc2)cc1",
        "std_free_energy": 1.1038717031478882,
        "relative_population": 0.8196942786014548
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]