[
  {
    "molid": "mol36662",
    "smiles": "CONC(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CON[C@H](C)C(=O)O",
        "std_free_energy": -3.535978078842163,
        "relative_population": 0.28491906538130746
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CO[NH2+][C@H](C)C(=O)[O-]",
        "std_free_energy": -4.4561686515808105,
        "relative_population": 0.7150809346186926
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CON[C@H](C)C(O)=[OH+]",
        "std_free_energy": 3.478790760040283,
        "relative_population": 0.33254140699658363
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CO[NH2+][C@H](C)C(=O)O",
        "std_free_energy": 2.7820777893066406,
        "relative_population": 0.6674585930034164
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.41999995708466,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]