[
  {
    "molid": "mol15912",
    "smiles": "CCCNN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCNN",
        "std_free_energy": -2.982367753982544,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCC[NH2+]N",
        "std_free_energy": -5.674747943878174,
        "relative_population": 0.6308156349950461
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCN[NH3+]",
        "std_free_energy": -5.139030456542969,
        "relative_population": 0.369184365004954
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.9200001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]