[
  {
    "molid": "mol38486",
    "smiles": "NCCCNCCCCCCCCCCNCCCN",
    "microspecies": [
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "NCCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH3+]",
        "std_free_energy": -15.3572416305542,
        "relative_population": 0.7064984309326955
      },
      {
        "id": "3_2",
        "charge": 3,
        "smiles": "[NH3+]CCCNCCCCCCCCCC[NH2+]CCC[NH3+]",
        "std_free_energy": -14.478803634643555,
        "relative_population": 0.2935015690673044
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "[NH3+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH3+]",
        "std_free_energy": -18.07479476928711,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]