[
  {
    "molid": "mol32764",
    "smiles": "CC(C)N=CN(C)c1ccc(-c2c[nH]cn2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N=CN(C)c1ccc(-c2c[nH]cn2)cc1",
        "std_free_energy": -0.5471792221069336,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)[NH+]=CN(C)c1ccc(-c2c[nH]cn2)cc1",
        "std_free_energy": -9.990699768066406,
        "relative_population": 0.9033767325386307
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)N=CN(C)c1ccc(-c2c[nH]c[nH+]2)cc1",
        "std_free_energy": -7.755379676818848,
        "relative_population": 0.09662326746136933
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.41,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]