[
  {
    "molid": "mol16046",
    "smiles": "CCn1cncn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCn1cncn1",
        "std_free_energy": -7.178720474243164,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCn1c[nH+]cn1",
        "std_free_energy": 2.995864152908325,
        "relative_population": 0.4240710715128846
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCn1cnc[nH+]1",
        "std_free_energy": 2.6897809505462646,
        "relative_population": 0.5759289284871154
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.39,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.3900001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.39000010490417,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]