[
  {
    "molid": "mol19737",
    "smiles": "CC(C)(CN)CCC(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C[NH3+])CC[C@H](N)C(=O)[O-]",
        "std_free_energy": -10.312190055847168,
        "relative_population": 0.7860380907271024
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(C)(CN)CC[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -9.01091480255127,
        "relative_population": 0.21394735914183047
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(CN)CC[C@H](N)C(=O)[O-]",
        "std_free_energy": -2.6135919094085693,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]