[
  {
    "molid": "mol38026",
    "smiles": "C1CNCCOCCNCCNCCOCCNCCNCCOCCN1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CNCCOCCNCC[NH2+]CCOCCNCCNCCOCCN1",
        "std_free_energy": -7.34453821182251,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1CNCCOCC[NH2+]CCNCCOCCNCC[NH2+]CCOCCN1",
        "std_free_energy": -12.466745376586914,
        "relative_population": 0.3309775507114675
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C1CNCCOCCNCC[NH2+]CCOCC[NH2+]CCNCCOCCN1",
        "std_free_energy": -12.375012397766113,
        "relative_population": 0.30196694919439343
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "C1CNCCOCC[NH2+]CCNCCOCC[NH2+]CCNCCOCCN1",
        "std_free_energy": -12.566909790039062,
        "relative_population": 0.3658469087909778
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.64999961853027,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.14999961853027,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]