[
  {
    "molid": "mol34086",
    "smiles": "COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1[O-])-c1c3c(cc4c1[C@H](C2)[NH+](C)CC4)OCO3",
        "std_free_energy": -2.247917413711548,
        "relative_population": 0.14265788951484526
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3",
        "std_free_energy": -4.041305065155029,
        "relative_population": 0.8573421104851546
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1[O-])-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3",
        "std_free_energy": 4.454730987548828,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]