[
  {
    "molid": "mol1359",
    "smiles": "CCCCCNc1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCNc1ncccn1",
        "std_free_energy": -7.3442559242248535,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCC[NH2+]c1ncccn1",
        "std_free_energy": -1.9323137998580933,
        "relative_population": 0.5334325329666058
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCNc1nccc[nH+]1",
        "std_free_energy": -1.7983838319778442,
        "relative_population": 0.46656746703339425
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]