[
  {
    "molid": "mol7149",
    "smiles": "CCCCNc1ncncc1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCNc1ncncc1Br",
        "std_free_energy": -6.731267929077148,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCNc1[nH+]cncc1Br",
        "std_free_energy": 0.1349872648715973,
        "relative_population": 0.3191542683423817
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCNc1nc[nH+]cc1Br",
        "std_free_energy": 0.05896112322807312,
        "relative_population": 0.3443645130606577
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCCC[NH2+]c1ncncc1Br",
        "std_free_energy": 0.08211951702833176,
        "relative_population": 0.3364812185969607
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.44,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]