[
  {
    "molid": "mol2253",
    "smiles": "CC(C)NC[C@H](O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)NC[C@H](O)c1ccc(O)cc1",
        "std_free_energy": -2.6716246604919434,
        "relative_population": 0.2992502592563792
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)[NH2+]C[C@H](O)c1ccc([O-])cc1",
        "std_free_energy": -3.5224952697753906,
        "relative_population": 0.7007497407436208
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)NC[C@H](O)c1ccc([O-])cc1",
        "std_free_energy": 4.21681022644043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]