Worst predictions : D4H20_un_e126_s8_lowestPos.txt

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.0858579750432, rank prediction = 1164 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.102450901039, rank prediction = 1192 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242 rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.203239274505, rank prediction = 1304 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.269046877526, rank prediction = 1347 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17645, atomId = 7901, opReactId = 2363 rxnConditionsId= 3, smi = [CH3:1]C(C)Cl target = 1, prediction = 0.310866351892, rank prediction = 1366 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242 rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.323667547906, rank prediction = 1375 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3725, atomId = 14249, opReactId = 3068 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C target = 1, prediction = 0.389008970809, rank prediction = 1408 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.433579258582, rank prediction = 1430 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8815, atomId = 14371, opReactId = 3084 rxnConditionsId= 1, smi = C=C(CCC1CCCC[C:1]1=O)[O-] target = 1, prediction = 0.516801743838, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1430, atomId = 14161, opReactId = 3056 rxnConditionsId= 1, smi = CC=C(CCC1(CCCC[C:1]1=O)C)[O-] target = 1, prediction = 0.521392597185, rank prediction = 1461 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.540367166793, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.546639841626, rank prediction = 1472 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.550744148542, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17342, atomId = 11387, opReactId = 2789 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)[OH:1] target = 1, prediction = 0.584101947973, rank prediction = 1487 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5415, atomId = 14713, opReactId = 3111 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CCCC(=O)C target = 1, prediction = 0.600741822487, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.637795445574, rank prediction = 1504 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.637945876255, rank prediction = 1505 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14850, atomId = 11149, opReactId = 2758 rxnConditionsId= 1, smi = CC(C)C(C[CH2:1][C+](C)C)Cl target = 1, prediction = 0.69668400873, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2519, atomId = 6134, opReactId = 2169 rxnConditionsId= 7, smi = [CH3:1]C(=O)Cc1ccccc1 target = 1, prediction = 0.70369788404, rank prediction = 1519 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10990, atomId = 10945, opReactId = 2738 rxnConditionsId= 1, smi = C[CH2:1][C+]1CCCC(C1)C target = 1, prediction = 0.707628908729, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15189, atomId = 6135, opReactId = 2169 rxnConditionsId= 1, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.710443560189, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11695, atomId = 13794, opReactId = 3010 rxnConditionsId= 1, smi = CC([CH2:1]C#N)O target = 1, prediction = 0.730942083529, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.734589340279, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14497, atomId = 1837, opReactId = 1707 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1=[N+]2CCCC2 target = 1, prediction = 0.7527114913, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14232, atomId = 5611, opReactId = 2097 rxnConditionsId= 1, smi = COC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.7549373871, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5075, atomId = 7752, opReactId = 2360 rxnConditionsId= 6, smi = [C-]#CC[CH2:1]CBr target = 1, prediction = 0.757198730502, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1500, atomId = 3446, opReactId = 1867 rxnConditionsId= 1, smi = C1C[CH2:1]C(=[N+]2CCCCC2)CC1 target = 1, prediction = 0.766493363186, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9470, atomId = 13945, opReactId = 3035 rxnConditionsId= 1, smi = CC1(CCC(=O)[CH2:1]1)O target = 1, prediction = 0.771042598515, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10078, atomId = 6135, opReactId = 2169 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.799385674186, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15188, atomId = 6137, opReactId = 2169 rxnConditionsId= 1, smi = CC(=O)[CH2:1]c1ccccc1 target = 1, prediction = 0.804694637659, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True