[
  {
    "molid": "mol38423",
    "smiles": "NCCC1NCCOCCOCCNC(CCN)c2cccc3c2oc2c1cccc23",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCC[C@@H]1NCCOCCOCCN[C@H](CCN)c2cccc3c2oc2c1cccc23",
        "std_free_energy": 0.5287721753120422,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NCC[C@@H]1[NH2+]CCOCCOCCN[C@H](CCN)c2cccc3c2oc2c1cccc23",
        "std_free_energy": -5.695155620574951,
        "relative_population": 0.17652710093858598
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NCC[C@H]1NCCOCCOCCN[C@@H](CC[NH3+])c2cccc3c2oc2c1cccc23",
        "std_free_energy": -7.2352118492126465,
        "relative_population": 0.8234728990614141
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2299995422363,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]