Worst predictions : D4H20_fi_e127_s8_lowestPos.txt

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.339485551847, rank prediction = 1498 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9642, atomId = 5890, opReactId = 2141 rxnConditionsId= 3, smi = COc1cc[cH:1]cc1 target = 1, prediction = 0.48292281599, rank prediction = 1534 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.540136761703, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.676813969634, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.683017293835, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.68529750574, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.747194584912, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.757332165613, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.759458179369, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.765326483944, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.777091172052, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18007, atomId = 8809, opReactId = 2478 rxnConditionsId= 3, smi = CCC(C)(N1CCCC1)[OH:1] target = 1, prediction = 0.802408879024, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.816306844505, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16167, atomId = 1531, opReactId = 1527 rxnConditionsId= 1, smi = CCOC(=O)CCC(C)([OH2+])[O:1]CC target = 1, prediction = 0.816775208598, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.820209923748, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6176, atomId = 13115, opReactId = 2951 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.83503489554, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7649, atomId = 4319, opReactId = 1880 rxnConditionsId= 1, smi = C[O:1]C(Cc1ccccc1)O target = 1, prediction = 0.844765719744, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.85481697824, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7054, atomId = 12394, opReactId = 2881 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2[N+](=O)[O-] target = 1, prediction = 0.857324853531, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15147, atomId = 5060, opReactId = 2038 rxnConditionsId= 2, smi = C[CH:1](C1(CCCC1)C)[OH2+] target = 1, prediction = 0.860341142561, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4199, atomId = 13808, opReactId = 3029 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=[NH:1])[O-] target = 1, prediction = 0.872602607744, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6395, atomId = 9223, opReactId = 2528 rxnConditionsId= 3, smi = CCC(=[N-:1])C#CC target = 1, prediction = 0.874875554944, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6334, atomId = 1477, opReactId = 1478 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)[NH:1]C target = 1, prediction = 0.881955935111, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12668, atomId = 3765, opReactId = 1828 rxnConditionsId= 1, smi = CCNC(CCC(=O)NC)([OH:1])[OH+]CC target = 1, prediction = 0.883951689354, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4064, atomId = 6637, opReactId = 2245 rxnConditionsId= 3, smi = CC(=C)[N:1]1CCCC1 target = 1, prediction = 0.884259994312, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1117, atomId = 4584, opReactId = 1839 rxnConditionsId= 1, smi = C[C+](C)CCC[OH:1] target = 1, prediction = 0.889821370994, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.891922726113, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17736, atomId = 9591, opReactId = 2564 rxnConditionsId= 8, smi = CCC(C)([OH:1])O target = 1, prediction = 0.893669935227, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3012, atomId = 12998, opReactId = 2935 rxnConditionsId= 2, smi = CC[OH+]C(C(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.894347226804, rank prediction = 1649 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13564, atomId = 1606, opReactId = 1487 rxnConditionsId= 1, smi = CC1C[O:1]1 target = 1, prediction = 0.901096168836, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False