Worst predictions : D4H20_un_e130_s5_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00226698920611, rank prediction = 531 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.00756092065494, rank prediction = 822 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.0274031938925, rank prediction = 1055 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5340, atomId = 5896, opReactId = 2142 rxnConditionsId= 3, smi = c1ccc(cc1)[N+]#[N:1] target = 1, prediction = 0.120593831311, rank prediction = 1328 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.248965286573, rank prediction = 1445 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.251428591178, rank prediction = 1447 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.284331762169, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.309040238803, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.382539404475, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.398691797986, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.424927499019, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.457799673406, rank prediction = 1565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.503654032573, rank prediction = 1581 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14152, atomId = 7852, opReactId = 2356 rxnConditionsId= 6, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.50935606479, rank prediction = 1586 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.536277528901, rank prediction = 1596 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.60682949998, rank prediction = 1630 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.628740304413, rank prediction = 1640 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.62989338663, rank prediction = 1641 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15817, atomId = 1355, opReactId = 1567 rxnConditionsId= 1, smi = C[C:1](=O)C target = 1, prediction = 0.638706401061, rank prediction = 1645 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15812, atomId = 1353, opReactId = 1567 rxnConditionsId= 1, smi = [CH3:1]C(=O)C target = 1, prediction = 0.639082607801, rank prediction = 1646 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8419, atomId = 13679, opReactId = 3000 rxnConditionsId= 1, smi = CC([CH2:1]C=O)O target = 1, prediction = 0.642824025013, rank prediction = 1648 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.651419128548, rank prediction = 1654 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.685517320649, rank prediction = 1664 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15943, atomId = 6388, opReactId = 2198 rxnConditionsId= 1, smi = C1CC(=O)[CH2:1]C1O target = 1, prediction = 0.694953463209, rank prediction = 1665 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12250, atomId = 11269, opReactId = 2764 rxnConditionsId= 6, smi = CC([CH:1](C)Br)[O-] target = 1, prediction = 0.696427051381, rank prediction = 1666 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16566, atomId = 7856, opReactId = 2356 rxnConditionsId= 7, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.699611372849, rank prediction = 1668 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15716, atomId = 6721, opReactId = 2225 rxnConditionsId= 3, smi = [Li]O[C:1](CCC(=O)N(C)C)(c1ccccc1)OCC target = 1, prediction = 0.700501424745, rank prediction = 1670 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.701697988288, rank prediction = 1671 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3310, atomId = 1353, opReactId = 1567 rxnConditionsId= 3, smi = [CH3:1]C(=O)C target = 1, prediction = 0.708441063544, rank prediction = 1673 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3312, atomId = 1355, opReactId = 1567 rxnConditionsId= 3, smi = C[C:1](=O)C target = 1, prediction = 0.721889669657, rank prediction = 1680 isPredictedFilled = False, isPredictedUnfilled = True