Worst predictions : D4H20_un_e131_s3_lowestPos.txt

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.0707534973643, rank prediction = 1118 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2493, atomId = 7896, opReactId = 2366 rxnConditionsId= 3, smi = CN(C)[C:1](=O)CC#N target = 1, prediction = 0.197177623305, rank prediction = 1298 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.243121819768, rank prediction = 1332 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.282840943243, rank prediction = 1355 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.344681361988, rank prediction = 1386 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.409378723919, rank prediction = 1418 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 = 0.422628682372, rank prediction = 1426 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.427388802041, rank prediction = 1431 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.483796968491, rank prediction = 1457 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.512776393081, rank prediction = 1464 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.569086830366, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.653812538903, rank prediction = 1520 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.686236918654, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.704364766117, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO target = 1, prediction = 0.716667686903, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9132, atomId = 9153, opReactId = 2507 rxnConditionsId= 1, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.722074131379, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6911, atomId = 9248, opReactId = 2517 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1Cl target = 1, prediction = 0.753269422778, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.759552835832, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17729, atomId = 4309, opReactId = 1945 rxnConditionsId= 2, smi = CC(N(C)C)[OH2+:1] target = 1, prediction = 0.760071750479, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9686, atomId = 2093, opReactId = 1726 rxnConditionsId= 2, smi = C1CCC2(C(C1)CCCN2)[OH2+:1] target = 1, prediction = 0.760196367128, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.767910003766, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15637, atomId = 13008, opReactId = 2941 rxnConditionsId= 2, smi = CCO[C:1](=[OH+])C(Cc1ccccc1)(C(=O)OCC)NC(=O)C target = 1, prediction = 0.770495344507, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14136, atomId = 9153, opReactId = 2507 rxnConditionsId= 3, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.800179673034, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15216, atomId = 10138, opReactId = 2632 rxnConditionsId= 1, smi = CC1(CCCC1)C(CBr)[OH2+:1] target = 1, prediction = 0.804816083533, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.813406544562, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9282, atomId = 10774, opReactId = 2719 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCC=C=[N-] target = 1, prediction = 0.818581132002, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13551, atomId = 8462, opReactId = 2414 rxnConditionsId= 1, smi = CN(C)C(=O)CCC(=O)[CH:1](CC(=O)N(C)C)C(=O)OC target = 1, prediction = 0.825600827915, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5599, atomId = 11393, opReactId = 2775 rxnConditionsId= 6, smi = C1[CH:1](O1)CCCC[O-] target = 1, prediction = 0.829718977435, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16248, atomId = 14410, opReactId = 3093 rxnConditionsId= 1, smi = CC(C)([CH2:1]C#N)O target = 1, prediction = 0.835609637135, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14096, atomId = 1221, opReactId = 1657 rxnConditionsId= 1, smi = C[CH2:1][C+](C)C target = 1, prediction = 0.844652175566, rank prediction = 1583 isPredictedFilled = False, isPredictedUnfilled = True