Worst predictions : D4H0_fi_e131_s3_lowestPos.txt

rAtomId = 7796, atomId = 2897, opReactId = 1662 rxnConditionsId= 1, smi = C[CH:1]=CC=CC target = 1, prediction = 0.173714663573, rank prediction = 1321 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.351004086883, rank prediction = 1458 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.400735053353, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16817, atomId = 4721, opReactId = 1981 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C=O target = 1, prediction = 0.429584543682, rank prediction = 1500 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.430754394842, rank prediction = 1502 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.478867325192, rank prediction = 1524 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.528870423554, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5858, atomId = 10896, opReactId = 2735 rxnConditionsId= 1, smi = CCC1CCC[CH:1]([CH+]1)C target = 1, prediction = 0.530765523955, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5848, atomId = 10891, opReactId = 2735 rxnConditionsId= 1, smi = CC[CH:1]1CCCC([CH+]1)C target = 1, prediction = 0.586893919075, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.595563634239, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.61259570823, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.635342078677, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.64023048056, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11116, atomId = 12784, opReactId = 2920 rxnConditionsId= 2, smi = C=CCOc1cc[cH:1]cc1 target = 1, prediction = 0.640532105052, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11115, atomId = 12777, opReactId = 2920 rxnConditionsId= 2, smi = [CH2:1]=CCOc1ccccc1 target = 1, prediction = 0.673350217096, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.691672370024, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11563, atomId = 8185, opReactId = 2396 rxnConditionsId= 3, smi = CC1CCCCC1(N2CCCC2)[OH:1] target = 1, prediction = 0.694629275212, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.694812561521, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.695685749009, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13172, atomId = 3548, opReactId = 1739 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C#N target = 1, prediction = 0.742482927193, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3045, atomId = 3533, opReactId = 1739 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.763047978194, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.775815983459, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17868, atomId = 12018, opReactId = 2851 rxnConditionsId= 2, smi = CC(=O)c1cccc2c1ccc[cH:1]2 target = 1, prediction = 0.78024652638, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3036, atomId = 3548, opReactId = 1739 rxnConditionsId= 2, smi = c1ccc2cc(ccc2[cH:1]1)C#N target = 1, prediction = 0.802428137768, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4665, atomId = 5914, opReactId = 2144 rxnConditionsId= 3, smi = [Cl-:1] target = 1, prediction = 0.807716748419, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10170, atomId = 6071, opReactId = 2163 rxnConditionsId= 1, smi = CC[OH+]C(C=C)([OH:1])O target = 1, prediction = 0.807949956686, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.811914884277, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14578, atomId = 12047, opReactId = 2856 rxnConditionsId= 2, smi = C[CH2:1][CH2+] target = 1, prediction = 0.815203235991, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.829034618386, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2913, atomId = 2613, opReactId = 1764 rxnConditionsId= 1, smi = C=[CH:1][CH2+] target = 1, prediction = 0.835320660754, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False