Worst predictions : D4H10_fi_e129_s4_lowestPos.txt

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.0182065109052, rank prediction = 1279 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9501, atomId = 5631, opReactId = 2091 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.0432347440367, rank prediction = 1371 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.0731031901272, rank prediction = 1445 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6614, atomId = 1406, opReactId = 1596 rxnConditionsId= 8, smi = CC=[O:1] target = 1, prediction = 0.155584646311, rank prediction = 1502 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.274368531539, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.285324688494, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.300745926933, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17473, atomId = 10929, opReactId = 2724 rxnConditionsId= 1, smi = C=C[CH:1](c1ccccc1)Br target = 1, prediction = 0.373155561097, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.422389020948, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.468018430133, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17474, atomId = 3053, opReactId = 1791 rxnConditionsId= 1, smi = CC(=C)C[OH:1] target = 1, prediction = 0.468594868027, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11607, atomId = 15020, opReactId = 3152 rxnConditionsId= 1, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(O)I target = 1, prediction = 0.474821286605, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12201, atomId = 5650, opReactId = 2113 rxnConditionsId= 6, smi = Cc1ccc[c-:1]c1N target = 1, prediction = 0.503609732329, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4636, atomId = 4630, opReactId = 1985 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C=O target = 1, prediction = 0.532182033445, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.534876241327, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3743, atomId = 2451, opReactId = 1543 rxnConditionsId= 1, smi = C[CH+]C([CH3:1])(C)C target = 1, prediction = 0.570149856861, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6154, atomId = 12803, opReactId = 2942 rxnConditionsId= 2, smi = [CH2:1]=CCCOc1ccccc1 target = 1, prediction = 0.570504177696, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.579844514809, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.639374893104, rank prediction = 1652 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2964, atomId = 10128, opReactId = 2630 rxnConditionsId= 3, smi = [I-:1] target = 1, prediction = 0.665194780106, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.688486786164, rank prediction = 1656 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.741788233823, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9747, atomId = 4952, opReactId = 2000 rxnConditionsId= 1, smi = C(C=O)[OH:1] target = 1, prediction = 0.750326993862, rank prediction = 1666 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.786548395864, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17176, atomId = 2309, opReactId = 1747 rxnConditionsId= 1, smi = CC[NH:1]C(C)(CCC(=O)OCC)[OH2+] target = 1, prediction = 0.810192259582, rank prediction = 1681 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13669, atomId = 2371, opReactId = 1654 rxnConditionsId= 2, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.823817159964, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.829289483334, rank prediction = 1687 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.845699250087, rank prediction = 1690 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2165, atomId = 8415, opReactId = 2437 rxnConditionsId= 3, smi = [CH2:1]=CN1CCCCC1 target = 1, prediction = 0.85078691114, rank prediction = 1692 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12401, atomId = 3831, opReactId = 1902 rxnConditionsId= 1, smi = CC[O:1]C(C)[OH2+] target = 1, prediction = 0.872309059045, rank prediction = 1701 isPredictedFilled = True, isPredictedUnfilled = False