[
  {
    "molid": "mol13342",
    "smiles": "CN(C)CCCCCNC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCCCCNC(=O)/C=N/O",
        "std_free_energy": -2.6770222187042236,
        "relative_population": 0.22509033016036128
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CCCCCNC(=O)/C=N/[O-]",
        "std_free_energy": -3.913266897201538,
        "relative_population": 0.7749096698396386
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)CCCCCNC(=O)/C=N/O",
        "std_free_energy": -9.689780235290527,
        "relative_population": 0.9861089647486128
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CCCCCNC(=O)/C=N/[O-]",
        "std_free_energy": 4.635859489440918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]