[
  {
    "molid": "mol3388",
    "smiles": "Cc1cccc(/N=N/c2ccc(N)cc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(/N=N/c2ccc(N)cc2)c1",
        "std_free_energy": -7.312117099761963,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(/N=N/c2ccc([NH3+])cc2)c1",
        "std_free_energy": 1.2844468355178833,
        "relative_population": 0.8583869648710208
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(/N=[NH+]/c2ccc(N)cc2)c1",
        "std_free_energy": 3.0864036083221436,
        "relative_population": 0.14161303512897924
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]