Worst predictions : D4H10_un_e126_s8_lowestPos.txt

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0760851696557, rank prediction = 1151 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.0811105137563, rank prediction = 1163 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 = 0.205272169138, rank prediction = 1319 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.269004225037, rank prediction = 1360 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 = 0.29200457149, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17645, atomId = 7901, opReactId = 2363 rxnConditionsId= 3, smi = [CH3:1]C(C)Cl target = 1, prediction = 0.321592948447, rank prediction = 1382 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3725, atomId = 14249, opReactId = 3068 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C target = 1, prediction = 0.419311584065, rank prediction = 1423 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.419673101597, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8815, atomId = 14371, opReactId = 3084 rxnConditionsId= 1, smi = C=C(CCC1CCCC[C:1]1=O)[O-] target = 1, prediction = 0.551664290934, rank prediction = 1470 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 = 0.555249892271, rank prediction = 1472 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17342, atomId = 11387, opReactId = 2789 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)[OH:1] target = 1, prediction = 0.564748177839, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.582558731407, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.624641925216, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.628936381023, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5415, atomId = 14713, opReactId = 3111 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CCCC(=O)C target = 1, prediction = 0.641702332325, rank prediction = 1504 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.666060856175, rank prediction = 1510 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 = 0.673474124114, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.68125534765, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10990, atomId = 10945, opReactId = 2738 rxnConditionsId= 1, smi = C[CH2:1][C+]1CCCC(C1)C target = 1, prediction = 0.689054107018, rank prediction = 1519 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15189, atomId = 6135, opReactId = 2169 rxnConditionsId= 1, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.692879743595, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8726, atomId = 11008, opReactId = 2729 rxnConditionsId= 1, smi = CCN(CC)C(=O)CCCC(=[N+]1CCCC1)[CH3:1] target = 1, prediction = 0.696139800397, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2519, atomId = 6134, opReactId = 2169 rxnConditionsId= 7, smi = [CH3:1]C(=O)Cc1ccccc1 target = 1, prediction = 0.70843832874, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11695, atomId = 13794, opReactId = 3010 rxnConditionsId= 1, smi = CC([CH2:1]C#N)O target = 1, prediction = 0.717433931923, rank prediction = 1527 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14232, atomId = 5611, opReactId = 2097 rxnConditionsId= 1, smi = COC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.738798343845, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.755064021576, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5075, atomId = 7752, opReactId = 2360 rxnConditionsId= 6, smi = [C-]#CC[CH2:1]CBr target = 1, prediction = 0.756890776683, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9470, atomId = 13945, opReactId = 3035 rxnConditionsId= 1, smi = CC1(CCC(=O)[CH2:1]1)O target = 1, prediction = 0.767968520013, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11001, atomId = 10951, opReactId = 2738 rxnConditionsId= 1, smi = CC[C+]1[CH2:1]CCC(C1)C target = 1, prediction = 0.772840518561, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10078, atomId = 6135, opReactId = 2169 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.774008510926, rank prediction = 1537 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18578, atomId = 10838, opReactId = 2713 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCCC(=O)C target = 1, prediction = 0.810869827785, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True