[
  {
    "molid": "mol14081",
    "smiles": "CCCCCC(N)=NN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCC(N)=NN(C)C",
        "std_free_energy": -0.4969065189361572,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCC(N)=[NH+]N(C)C",
        "std_free_energy": -9.122023582458496,
        "relative_population": 0.903166588472303
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCC(N)=N[NH+](C)C",
        "std_free_energy": -6.889108657836914,
        "relative_population": 0.09683341152769699
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.3999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]