Worst predictions : D4H20_fi_e133_s5_lowestPos.txt

rAtomId = 3188, atomId = 10936, opReactId = 2725 rxnConditionsId= 1, smi = C=[CH:1][CH+]c1ccccc1 target = 1, prediction = 0.0879889538845, rank prediction = 1305 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.302895010346, rank prediction = 1430 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.361856095568, rank prediction = 1451 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9642, atomId = 5890, opReactId = 2141 rxnConditionsId= 3, smi = COc1cc[cH:1]cc1 target = 1, prediction = 0.520129223786, rank prediction = 1500 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 = 0.541644859528, rank prediction = 1505 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.576906259266, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.615482789184, rank prediction = 1523 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.669755009283, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13566, atomId = 11045, opReactId = 2744 rxnConditionsId= 1, smi = C[CH:1](CO)Br target = 1, prediction = 0.688376599634, rank prediction = 1539 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17917, atomId = 7151, opReactId = 2274 rxnConditionsId= 3, smi = CC([CH:1]=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.720069170963, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.726524080058, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.734888141247, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13779, atomId = 8801, opReactId = 2479 rxnConditionsId= 3, smi = CCN(CC)C(C)(C#CC)[OH:1] target = 1, prediction = 0.774297233146, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.776959258225, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3766, atomId = 4014, opReactId = 1916 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCC[OH:1] target = 1, prediction = 0.781286445654, rank prediction = 1567 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.791542324915, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9380, atomId = 9956, opReactId = 2591 rxnConditionsId= 1, smi = CC[C-:1]([N+](=O)[O-])Br target = 1, prediction = 0.807630374143, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16274, atomId = 5767, opReactId = 2118 rxnConditionsId= 1, smi = CC(=O)OC(C=C)([OH:1])O target = 1, prediction = 0.815048072677, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.817398639903, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.818421276099, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2144, atomId = 5483, opReactId = 2073 rxnConditionsId= 1, smi = CC[OH+]C(C)(C)[O:1]CC target = 1, prediction = 0.830556377811, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7746, atomId = 3234, opReactId = 1689 rxnConditionsId= 1, smi = CC(=O)CCC=[O+]CC[OH:1] target = 1, prediction = 0.848745889982, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13569, atomId = 11049, opReactId = 2744 rxnConditionsId= 1, smi = CC(C[OH:1])Br target = 1, prediction = 0.858909385047, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17301, atomId = 5483, opReactId = 2073 rxnConditionsId= 2, smi = CC[OH+]C(C)(C)[O:1]CC target = 1, prediction = 0.860983798076, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.863600210566, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1752, atomId = 4934, opReactId = 1997 rxnConditionsId= 3, smi = CCNC(C)(C)[OH:1] target = 1, prediction = 0.865343978954, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12326, atomId = 1344, opReactId = 1482 rxnConditionsId= 1, smi = CCC1(C[O:1]1)C target = 1, prediction = 0.872477446322, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6926, atomId = 4934, opReactId = 1997 rxnConditionsId= 1, smi = CCNC(C)(C)[OH:1] target = 1, prediction = 0.883778664104, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5073, atomId = 3438, opReactId = 1847 rxnConditionsId= 1, smi = C(CC(=[OH+])O)C[OH:1] target = 1, prediction = 0.888574963448, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5090, atomId = 2006, opReactId = 1720 rxnConditionsId= 2, smi = [cH:1]1ccccc1 target = 1, prediction = 0.896985405875, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False