[
  {
    "molid": "mol16001",
    "smiles": "CC(N)=NN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(N)=NN(C)C",
        "std_free_energy": -0.8172488212585449,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(N)=[NH+]N(C)C",
        "std_free_energy": -9.126293182373047,
        "relative_population": 0.915500827790748
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(N)=N[NH+](C)C",
        "std_free_energy": -6.743563652038574,
        "relative_population": 0.08449917220925196
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]