Worst predictions : D4H20_fi_e126_s3_lowestPos.txt

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.326579202958, rank prediction = 1439 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9177, atomId = 1907, opReactId = 1710 rxnConditionsId= 1, smi = CC=C[N:1](C)C target = 1, prediction = 0.530282003313, rank prediction = 1494 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17579, atomId = 4706, opReactId = 1979 rxnConditionsId= 1, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.635088341774, rank prediction = 1524 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13566, atomId = 11045, opReactId = 2744 rxnConditionsId= 1, smi = C[CH:1](CO)Br target = 1, prediction = 0.639735960526, rank prediction = 1526 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.643745008078, rank prediction = 1527 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2990, atomId = 2957, opReactId = 1727 rxnConditionsId= 1, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.655822832186, rank prediction = 1532 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3824, atomId = 5870, opReactId = 2130 rxnConditionsId= 3, smi = CC(=O)CC([NH:1]C)[OH2+] target = 1, prediction = 0.706060008487, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7477, atomId = 4706, opReactId = 1979 rxnConditionsId= 2, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.776564623003, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.777271506634, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10536, atomId = 2957, opReactId = 1727 rxnConditionsId= 2, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.792078208996, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.811818093735, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.823071222131, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8805, atomId = 5007, opReactId = 2033 rxnConditionsId= 2, smi = C[CH:1](CC(C)O)[OH2+] target = 1, prediction = 0.83857349708, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7054, atomId = 12394, opReactId = 2881 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2[N+](=O)[O-] target = 1, prediction = 0.849124860655, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.849908590945, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5933, atomId = 5505, opReactId = 2078 rxnConditionsId= 2, smi = C[CH:1](C=C)[OH2+] target = 1, prediction = 0.853698521334, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14825, atomId = 4453, opReactId = 1948 rxnConditionsId= 1, smi = c1c[cH:1]c2ccccc2c1 target = 1, prediction = 0.854983378648, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13569, atomId = 11049, opReactId = 2744 rxnConditionsId= 1, smi = CC(C[OH:1])Br target = 1, prediction = 0.863619110516, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4064, atomId = 6637, opReactId = 2245 rxnConditionsId= 3, smi = CC(=C)[N:1]1CCCC1 target = 1, prediction = 0.871673308886, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7649, atomId = 4319, opReactId = 1880 rxnConditionsId= 1, smi = C[O:1]C(Cc1ccccc1)O target = 1, prediction = 0.873778230732, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8243, atomId = 12213, opReactId = 2852 rxnConditionsId= 2, smi = c1ccc(c([cH:1]1)CC[C+]=O)Br target = 1, prediction = 0.88895467908, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4888, atomId = 10897, opReactId = 2721 rxnConditionsId= 1, smi = CC(C)(C)[OH:1] target = 1, prediction = 0.894685141335, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10381, atomId = 3875, opReactId = 1890 rxnConditionsId= 1, smi = CCOC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.896029254754, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.897060711073, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14887, atomId = 3351, opReactId = 1831 rxnConditionsId= 1, smi = CC(C)[O:1]C(C)(C)Br target = 1, prediction = 0.904205447471, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13564, atomId = 1606, opReactId = 1487 rxnConditionsId= 1, smi = CC1C[O:1]1 target = 1, prediction = 0.908982360039, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8970, atomId = 2119, opReactId = 1731 rxnConditionsId= 1, smi = CC[OH+]C(CCC(=O)NC)([OH:1])OC target = 1, prediction = 0.918483749421, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17454, atomId = 4453, opReactId = 1948 rxnConditionsId= 2, smi = c1c[cH:1]c2ccccc2c1 target = 1, prediction = 0.918956491444, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4714, atomId = 3168, opReactId = 1803 rxnConditionsId= 1, smi = CC(C)C(O)[O:1]C target = 1, prediction = 0.927947237161, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7019, atomId = 13086, opReactId = 2943 rxnConditionsId= 2, smi = CC[OH+]C(CNC(=O)C)([OH:1])O target = 1, prediction = 0.93766050284, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False