[
  {
    "molid": "mol24871",
    "smiles": "COc1cc(CC(C)NN)cc(OC)c1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C[C@@H](C)NN)cc(OC)c1OC",
        "std_free_energy": -3.605973720550537,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc(C[C@@H](C)N[NH3+])cc(OC)c1OC",
        "std_free_energy": -4.831450462341309,
        "relative_population": 0.41701248023908066
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc(C[C@@H](C)[NH2+]N)cc(OC)c1OC",
        "std_free_energy": -5.166500091552734,
        "relative_population": 0.5829875197609193
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]