[
  {
    "molid": "mol35212",
    "smiles": "CCCCCCCCCCCCNCc1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCNCc1ccncc1",
        "std_free_energy": -1.9527966976165771,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCCCCNCc1cc[nH+]cc1",
        "std_free_energy": -5.353122711181641,
        "relative_population": 0.06138029022459066
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCCCCCCCC[NH2+]Cc1ccncc1",
        "std_free_energy": -8.0804443359375,
        "relative_population": 0.9386197097754093
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.65000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]