[
  {
    "molid": "mol13368",
    "smiles": "CC1CCn2nnnc2C(C(=O)O)C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@H]1CCn2nnnc2[C@H](C(=O)O)C1",
        "std_free_energy": -2.9377048015594482,
        "relative_population": 0.9997539958725742
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CCn2nnnc2[C@H](C(=O)[O-])C1",
        "std_free_energy": -10.99024486541748,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]