[
  {
    "molid": "mol15952",
    "smiles": "CCN(CC)NC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)NC",
        "std_free_energy": -4.004325866699219,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)[NH2+]C",
        "std_free_energy": -5.013476371765137,
        "relative_population": 0.5340572516546255
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[NH+](CC)NC",
        "std_free_energy": -4.877036094665527,
        "relative_population": 0.4659427483453745
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.1399999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]