[
  {
    "molid": "mol37702",
    "smiles": "N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)[N-]CC(=O)[O-]",
        "std_free_energy": 8.231523513793945,
        "relative_population": 1.0
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[N-]CC(=O)NCC(=O)[O-]",
        "std_free_energy": 3.378915309906006,
        "relative_population": 0.2531548520070682
      },
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "N[C@@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)[N-]CC(=O)[O-]",
        "std_free_energy": 2.303515911102295,
        "relative_population": 0.7420382291205188
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.1700000762939,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]