[
  {
    "molid": "mol33247",
    "smiles": "CC1NC(C)C(C(=O)O)CC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1[NH2+][C@H](C)[C@@H](C(=O)O)C[C@H]1C(=O)[O-]",
        "std_free_energy": -7.917803764343262,
        "relative_population": 0.9997057215694294
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1[NH2+][C@H](C)[C@@H](C(=O)O)C[C@H]1C(=O)O",
        "std_free_energy": -0.3346436619758606,
        "relative_population": 0.9682673661627269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.02,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.52,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]