Worst predictions : D4H0_fi_e134_s1_lowestPos.txt

rAtomId = 18755, atomId = 8402, opReactId = 2417 rxnConditionsId= 3, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.2546276267, rank prediction = 1459 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.347931074167, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12201, atomId = 5650, opReactId = 2113 rxnConditionsId= 6, smi = Cc1ccc[c-:1]c1N target = 1, prediction = 0.357577824424, rank prediction = 1518 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8827, atomId = 8578, opReactId = 2442 rxnConditionsId= 6, smi = c1cncc([c-:1]1)N target = 1, prediction = 0.381805139562, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6032, atomId = 8402, opReactId = 2417 rxnConditionsId= 1, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.392826098769, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.408220482951, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5858, atomId = 10896, opReactId = 2735 rxnConditionsId= 1, smi = CCC1CCC[CH:1]([CH+]1)C target = 1, prediction = 0.486941376771, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11551, atomId = 11745, opReactId = 2834 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC([O-:1])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.489909075065, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11317, atomId = 4110, opReactId = 1931 rxnConditionsId= 1, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.543544613342, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5848, atomId = 10891, opReactId = 2735 rxnConditionsId= 1, smi = CC[CH:1]1CCCC([CH+]1)C target = 1, prediction = 0.55257762988, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17579, atomId = 4706, opReactId = 1979 rxnConditionsId= 1, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.572459408587, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10651, atomId = 1231, opReactId = 1656 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.593915629329, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.598472245562, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4153, atomId = 12083, opReactId = 2844 rxnConditionsId= 2, smi = COc1cc([cH:1]cc1Br)[N+](=O)[O-] target = 1, prediction = 0.604825677454, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1077, atomId = 4110, opReactId = 1931 rxnConditionsId= 2, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.625365616344, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.625390045877, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14520, atomId = 13190, opReactId = 2949 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.636599131328, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7477, atomId = 4706, opReactId = 1979 rxnConditionsId= 2, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.652411834815, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.655558059651, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4008, atomId = 1231, opReactId = 1656 rxnConditionsId= 2, smi = C[CH+][CH:1](C)C target = 1, prediction = 0.672153536718, rank prediction = 1653 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12206, atomId = 2805, opReactId = 1778 rxnConditionsId= 1, smi = C[C:1](=COC)C target = 1, prediction = 0.683709539781, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.691066194133, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.695823642236, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.696016362425, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.729758638804, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6953, atomId = 13455, opReactId = 2961 rxnConditionsId= 2, smi = CC[O:1]C(C(Cc1ccccc1)NC(=O)C)(O)O target = 1, prediction = 0.768091467543, rank prediction = 1681 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8644, atomId = 4996, opReactId = 2002 rxnConditionsId= 1, smi = C(C=O)[O:1]C(CO)[OH2+] target = 1, prediction = 0.768863708204, rank prediction = 1683 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14351, atomId = 10787, opReactId = 2714 rxnConditionsId= 1, smi = CC(C)[CH:1](CC=C(C)C)Cl target = 1, prediction = 0.772903277088, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.779026015531, rank prediction = 1688 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6095, atomId = 2540, opReactId = 1752 rxnConditionsId= 3, smi = [OH2:1] target = 1, prediction = 0.782471926588, rank prediction = 1690 isPredictedFilled = True, isPredictedUnfilled = False