Worst predictions : D4H10_un_e131_s3_lowestPos.txt

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.0696872049408, rank prediction = 1117 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.210528559317, rank prediction = 1305 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.211209526499, rank prediction = 1307 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.212714438265, rank prediction = 1309 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.326715914123, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12178, atomId = 14108, opReactId = 3054 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CCC1(CCCCC1=O)C target = 1, prediction = 0.414718090348, rank prediction = 1414 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.423636147412, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.425692108474, rank prediction = 1419 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.485362363197, rank prediction = 1447 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.504869197528, rank prediction = 1457 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.561458172633, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.649804612949, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.652315446129, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.659493670174, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.665637181326, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO target = 1, prediction = 0.69986221966, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9132, atomId = 9153, opReactId = 2507 rxnConditionsId= 1, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.715065777643, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17729, atomId = 4309, opReactId = 1945 rxnConditionsId= 2, smi = CC(N(C)C)[OH2+:1] target = 1, prediction = 0.731777265042, rank prediction = 1544 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9686, atomId = 2093, opReactId = 1726 rxnConditionsId= 2, smi = C1CCC2(C(C1)CCCN2)[OH2+:1] target = 1, prediction = 0.744868090117, rank prediction = 1547 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10014, atomId = 4826, opReactId = 2007 rxnConditionsId= 1, smi = CCN[C:1](C)(O)OC(=O)CCC=O target = 1, prediction = 0.75781249779, rank prediction = 1551 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.760577533138, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14136, atomId = 9153, opReactId = 2507 rxnConditionsId= 3, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.782325378713, rank prediction = 1560 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6911, atomId = 9248, opReactId = 2517 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1Cl target = 1, prediction = 0.78298091163, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15216, atomId = 10138, opReactId = 2632 rxnConditionsId= 1, smi = CC1(CCCC1)C(CBr)[OH2+:1] target = 1, prediction = 0.799496080268, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.803955498375, rank prediction = 1565 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16248, atomId = 14410, opReactId = 3093 rxnConditionsId= 1, smi = CC(C)([CH2:1]C#N)O target = 1, prediction = 0.809380440397, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9785, atomId = 14416, opReactId = 3082 rxnConditionsId= 1, smi = CC[CH:1](C(=C[O-])C)O target = 1, prediction = 0.81382998049, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14096, atomId = 1221, opReactId = 1657 rxnConditionsId= 1, smi = C[CH2:1][C+](C)C target = 1, prediction = 0.817947709091, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5599, atomId = 11393, opReactId = 2775 rxnConditionsId= 6, smi = C1[CH:1](O1)CCCC[O-] target = 1, prediction = 0.823006324034, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2465, atomId = 4309, opReactId = 1945 rxnConditionsId= 1, smi = CC(N(C)C)[OH2+:1] target = 1, prediction = 0.824721267865, rank prediction = 1577 isPredictedFilled = False, isPredictedUnfilled = True