Worst predictions : D4H10_fi_e128_s3_lowestPos.txt

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.0194444401451, rank prediction = 1106 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 = 0.0568652032848, rank prediction = 1257 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.0985463431421, rank prediction = 1319 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.107398811214, rank prediction = 1331 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9721, atomId = 6958, opReactId = 2258 rxnConditionsId= 3, smi = CCOC1([CH:1]=C[C-](C=C1)[N+](=O)[O-])I target = 1, prediction = 0.114563191803, rank prediction = 1339 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.235604619556, rank prediction = 1415 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2039, atomId = 1534, opReactId = 1491 rxnConditionsId= 1, smi = [CH2:1]=CCBr target = 1, prediction = 0.555796411556, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2667, atomId = 12147, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2 target = 1, prediction = 0.558595054434, rank prediction = 1512 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13566, atomId = 11045, opReactId = 2744 rxnConditionsId= 1, smi = C[CH:1](CO)Br target = 1, prediction = 0.581215543746, rank prediction = 1516 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11115, atomId = 12777, opReactId = 2920 rxnConditionsId= 2, smi = [CH2:1]=CCOc1ccccc1 target = 1, prediction = 0.664018743792, rank prediction = 1532 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18259, atomId = 2452, opReactId = 1542 rxnConditionsId= 1, smi = CC(C)(C)C=[CH2:1] target = 1, prediction = 0.682872701077, rank prediction = 1534 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.707445292622, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11215, atomId = 12431, opReactId = 2889 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)OC(=O)Cl target = 1, prediction = 0.710290564835, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2964, atomId = 10128, opReactId = 2630 rxnConditionsId= 3, smi = [I-:1] target = 1, prediction = 0.741124682144, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.74281224913, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11116, atomId = 12784, opReactId = 2920 rxnConditionsId= 2, smi = C=CCOc1cc[cH:1]cc1 target = 1, prediction = 0.776462121066, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13428, atomId = 5266, opReactId = 2045 rxnConditionsId= 1, smi = CNC=[CH:1]CO target = 1, prediction = 0.821666510572, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.822030936982, rank prediction = 1564 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8805, atomId = 5007, opReactId = 2033 rxnConditionsId= 2, smi = C[CH:1](CC(C)O)[OH2+] target = 1, prediction = 0.822404865036, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18007, atomId = 8809, opReactId = 2478 rxnConditionsId= 3, smi = CCC(C)(N1CCCC1)[OH:1] target = 1, prediction = 0.862050316998, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.869464792615, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3628, atomId = 4549, opReactId = 1814 rxnConditionsId= 1, smi = CCNC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.876699473666, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13047, atomId = 1911, opReactId = 1517 rxnConditionsId= 1, smi = C1[CH:1]=CCC=C1 target = 1, prediction = 0.881942554961, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13172, atomId = 3548, opReactId = 1739 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C#N target = 1, prediction = 0.890352860189, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13569, atomId = 11049, opReactId = 2744 rxnConditionsId= 1, smi = CC(C[OH:1])Br target = 1, prediction = 0.891133404629, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3045, atomId = 3533, opReactId = 1739 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.892372027118, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.896610920124, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2663, atomId = 12142, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2[cH:1]cccc2 target = 1, prediction = 0.901225257829, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15893, atomId = 1339, opReactId = 1483 rxnConditionsId= 1, smi = CCC1(C([O:1]1)C)C target = 1, prediction = 0.901455213931, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6405, atomId = 8940, opReactId = 2482 rxnConditionsId= 3, smi = CCOC1(C=CC=C[N-:1]1)Cl target = 1, prediction = 0.901918668445, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False