[
  {
    "molid": "mol34921",
    "smiles": "CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)c1cccnc1",
        "std_free_energy": -6.701234817504883,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)OC[C@H](Cc2ccccc2)N1C(=[OH+])c1cccnc1",
        "std_free_energy": 1.9916409254074097,
        "relative_population": 0.11019088462183503
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)OC[C@H](Cc2ccccc2)N1C(=O)c1ccc[nH+]c1",
        "std_free_energy": -0.09715186059474945,
        "relative_population": 0.889809115378165
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.92000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]