[
  {
    "molid": "mol29909",
    "smiles": "CC(=O)OC[C@@H](C(=O)OC1CC2C3OC3C(C1)N2C)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)N2C)c1ccccc1",
        "std_free_energy": -4.250508785247803,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@@H]3O[C@@H]3[C@H](C1)[NH+]2C)c1ccccc1",
        "std_free_energy": -6.646529197692871,
        "relative_population": 0.9801905523177794
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]