[
  {
    "molid": "mol38027",
    "smiles": "C1CNCCCNCCCNCCCNCCCNCCCNCCCNCCCNC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CNCCCNCCCNCCCNCCC[NH2+]CCCNCCCNCCCNC1",
        "std_free_energy": -5.195660591125488,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1CNCCCNCCC[NH2+]CCCNCCCNCCC[NH2+]CCCNCCCNC1",
        "std_free_energy": -12.107829093933105,
        "relative_population": 0.25910338842295716
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C1CNCCCNCCCNCCC[NH2+]CCC[NH2+]CCCNCCCNCCCNC1",
        "std_free_energy": -11.561767578125,
        "relative_population": 0.1500795743859342
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C1CNCCCNCCCNCCC[NH2+]CCCNCCC[NH2+]CCCNCCCNC1",
        "std_free_energy": -12.304256439208984,
        "relative_population": 0.31534097396501903
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "C1CNCCCNCCC[NH2+]CCCNCCCNCCCNCCC[NH2+]CCCNC1",
        "std_free_energy": -12.169102668762207,
        "relative_population": 0.27547606322608964
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.4499998092651,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]