[
  {
    "molid": "mol31534",
    "smiles": "CCNC(C)(C)/C(C)=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH2+]C(C)(C)/C(C)=N/[O-]",
        "std_free_energy": -3.2087552547454834,
        "relative_population": 0.4028674391734099
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCNC(C)(C)/C(C)=N/O",
        "std_free_energy": -3.6022868156433105,
        "relative_population": 0.59713256082659
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH2+]C(C)(C)/C(C)=N/O",
        "std_free_energy": -9.58843994140625,
        "relative_population": 0.9977502756658604
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]