[
  {
    "molid": "mol9829",
    "smiles": "CNC(C)(C)C(C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(C)(C)C(C)=NO",
        "std_free_energy": -3.742490768432617,
        "relative_population": 0.644696009470856
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+]C(C)(C)C(C)=N[O-]",
        "std_free_energy": -3.1466856002807617,
        "relative_population": 0.3553039905291439
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]C(C)(C)C(C)=NO",
        "std_free_energy": -9.672689437866211,
        "relative_population": 0.9967460621204763
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.24,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]