[
  {
    "molid": "mol34591",
    "smiles": "c1ccc(C2CCNCCNCCCNCCN2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc([C@H]2CCNCCNCCCNCCN2)cc1",
        "std_free_energy": 0.44711947441101074,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc([C@H]2CCNCCNCCC[NH2+]CCN2)cc1",
        "std_free_energy": -8.417508125305176,
        "relative_population": 0.24371602179465066
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc([C@H]2CCNCC[NH2+]CCCNCCN2)cc1",
        "std_free_energy": -8.527514457702637,
        "relative_population": 0.27205657331374433
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "c1ccc([C@H]2CC[NH2+]CCNCCCNCCN2)cc1",
        "std_free_energy": -8.768455505371094,
        "relative_population": 0.34617730377487005
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "c1ccc([C@H]2CCNCCNCCCNCC[NH2+]2)cc1",
        "std_free_energy": -7.84912109375,
        "relative_population": 0.13805010111673502
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0600004196167,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]