[
  {
    "molid": "mol12491",
    "smiles": "CNC(C)(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH2+]C(C)(C)C(=O)[O-]",
        "std_free_energy": -13.087347984313965,
        "relative_population": 0.9999976255098699
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]C(C)(C)C(=O)O",
        "std_free_energy": -2.875277519226074,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC(C)(C)C(=O)[O-]",
        "std_free_energy": -3.3471646308898926,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.75,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]