Worst predictions : D4H10_fi_e132_s4_lowestPos.txt

rAtomId = 16208, atomId = 2283, opReactId = 1533 rxnConditionsId= 3, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.0374306545325, rank prediction = 1230 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3518, atomId = 2283, opReactId = 1533 rxnConditionsId= 1, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.0560010832676, rank prediction = 1292 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.0975356514251, rank prediction = 1356 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9721, atomId = 6958, opReactId = 2258 rxnConditionsId= 3, smi = CCOC1([CH:1]=C[C-](C=C1)[N+](=O)[O-])I target = 1, prediction = 0.110852179844, rank prediction = 1373 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.360473116865, rank prediction = 1495 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5350, atomId = 3622, opReactId = 1693 rxnConditionsId= 1, smi = C([CH:1]=CO)Br target = 1, prediction = 0.418180611539, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16213, atomId = 2277, opReactId = 1533 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.496882144792, rank prediction = 1539 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.521850774674, rank prediction = 1548 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9177, atomId = 1907, opReactId = 1710 rxnConditionsId= 1, smi = CC=C[N:1](C)C target = 1, prediction = 0.528289935351, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.588050690008, rank prediction = 1557 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 = 0.589855499572, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18699, atomId = 15341, opReactId = 3170 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)(C)[O-:1] target = 1, prediction = 0.711785416193, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18259, atomId = 2452, opReactId = 1542 rxnConditionsId= 1, smi = CC(C)(C)C=[CH2:1] target = 1, prediction = 0.714528772819, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.726150518557, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1457, atomId = 3188, opReactId = 1802 rxnConditionsId= 1, smi = CC[N:1](CC)C(C=C)(O)O target = 1, prediction = 0.728781303668, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15968, atomId = 12052, opReactId = 2855 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC[C+]=O target = 1, prediction = 0.764957170807, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3523, atomId = 2277, opReactId = 1533 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.764965390779, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9380, atomId = 9956, opReactId = 2591 rxnConditionsId= 1, smi = CC[C-:1]([N+](=O)[O-])Br target = 1, prediction = 0.792000328204, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16369, atomId = 1101, opReactId = 1595 rxnConditionsId= 1, smi = C(C(C(C(C(C=[OH+])O)O)O)[OH:1])O target = 1, prediction = 0.792828942033, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.798458448021, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.814194188742, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17960, atomId = 3147, opReactId = 1680 rxnConditionsId= 1, smi = CC=[CH2:1] target = 1, prediction = 0.815044036932, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.822296652621, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.824952392006, 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 = 0.83807091381, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18629, atomId = 2277, opReactId = 1533 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.857505898907, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.861871267002, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12401, atomId = 3831, opReactId = 1902 rxnConditionsId= 1, smi = CC[O:1]C(C)[OH2+] target = 1, prediction = 0.883849713934, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2765, atomId = 3147, opReactId = 1680 rxnConditionsId= 2, smi = CC=[CH2:1] target = 1, prediction = 0.892935137263, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5800, atomId = 5327, opReactId = 2053 rxnConditionsId= 1, smi = CC=[N:1]C target = 1, prediction = 0.894747481319, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False