[
  {
    "molid": "mol15954",
    "smiles": "CCN(C)N(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+](C)N(C)C",
        "std_free_energy": -4.807233810424805,
        "relative_population": 0.4563553503870892
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN(C)[NH+](C)C",
        "std_free_energy": -4.982257843017578,
        "relative_population": 0.5436446496129108
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC[NH+](C)[NH+](C)C",
        "std_free_energy": -1.2850565910339355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.38,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.3800001,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.28000020980835,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]