[
  {
    "molid": "mol15123",
    "smiles": "CCCCCCCCCCCCNCCCN",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCC[NH2+]CCCN",
        "std_free_energy": -8.081550598144531,
        "relative_population": 0.43389713238172395
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCNCCC[NH3+]",
        "std_free_energy": -8.347518920898438,
        "relative_population": 0.566102867618276
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CCCCCCCCCCCC[NH2+]CCC[NH3+]",
        "std_free_energy": -13.028474807739258,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.37,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.3699999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.36999988555908,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]