Worst predictions : D4H20_fi_e127_s0_lowestPos.txt

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.319305151778, rank prediction = 1499 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.383711306142, rank prediction = 1518 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.401490114346, rank prediction = 1526 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.4335741103, rank prediction = 1536 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.451834565133, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.487016310931, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.491911589913, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.511060398252, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.535435354798, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.572279468451, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.617892921845, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.692450360377, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11215, atomId = 12431, opReactId = 2889 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)OC(=O)Cl target = 1, prediction = 0.715272055132, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.731808185718, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.783552158514, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.788529157959, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.812965611795, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.828359162453, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6902, atomId = 1121, opReactId = 1497 rxnConditionsId= 1, smi = CC[C:1](=C(C)CC)C target = 1, prediction = 0.831002690708, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7654, atomId = 5223, opReactId = 2049 rxnConditionsId= 1, smi = CCC([OH:1])O target = 1, prediction = 0.840627206538, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.842579042887, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.849635192125, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8260, atomId = 10439, opReactId = 2672 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[NH:1]C)C target = 1, prediction = 0.852600425816, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.854023268944, rank prediction = 1653 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.869611093345, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3198, atomId = 4082, opReactId = 1924 rxnConditionsId= 1, smi = C[OH+]C(c1ccccc1)(N)[OH:1] target = 1, prediction = 0.882933748079, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5641, atomId = 2605, opReactId = 1650 rxnConditionsId= 1, smi = COc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.895374267761, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9049, atomId = 10699, opReactId = 2695 rxnConditionsId= 3, smi = CC1CC=CC(C1[NH:1]C)C target = 1, prediction = 0.900231356038, rank prediction = 1663 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12326, atomId = 1344, opReactId = 1482 rxnConditionsId= 1, smi = CCC1(C[O:1]1)C target = 1, prediction = 0.901391509234, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16982, atomId = 3569, opReactId = 1864 rxnConditionsId= 1, smi = C1CCC(CC1)([N:1]2CCCCC2)[OH2+] target = 1, prediction = 0.908199096247, rank prediction = 1667 isPredictedFilled = True, isPredictedUnfilled = False