[
  {
    "molid": "mol34910",
    "smiles": "CC1(C)N=C(C=NO)C(C)(C)N1[O]",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC1(C)N=C(C=NO)C(C)(C)N1[O]",
        "std_free_energy": -6.573735237121582,
        "relative_population": 0.9989964184654132
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)N=C(C=N[O-])C(C)(C)N1[O]",
        "std_free_energy": -0.6074272394180298,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]