Worst predictions : D4H20_fi_e126_s4_lowestPos.txt

rAtomId = 11317, atomId = 4110, opReactId = 1931 rxnConditionsId= 1, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.47743566955, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4636, atomId = 4630, opReactId = 1985 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C=O target = 1, prediction = 0.48704957108, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.527259702929, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.575561728279, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6154, atomId = 12803, opReactId = 2942 rxnConditionsId= 2, smi = [CH2:1]=CCCOc1ccccc1 target = 1, prediction = 0.582458374073, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.601616203146, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1077, atomId = 4110, opReactId = 1931 rxnConditionsId= 2, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.614476624513, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.687473383594, rank prediction = 1662 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18699, atomId = 15341, opReactId = 3170 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)(C)[O-:1] target = 1, prediction = 0.70174363201, rank prediction = 1667 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.732073759543, rank prediction = 1673 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9380, atomId = 9956, opReactId = 2591 rxnConditionsId= 1, smi = CC[C-:1]([N+](=O)[O-])Br target = 1, prediction = 0.733012547327, rank prediction = 1675 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.733968337445, rank prediction = 1676 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13052, atomId = 2564, opReactId = 1665 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCCC[OH:1] target = 1, prediction = 0.737370629596, rank prediction = 1677 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5858, atomId = 10896, opReactId = 2735 rxnConditionsId= 1, smi = CCC1CCC[CH:1]([CH+]1)C target = 1, prediction = 0.747229096816, rank prediction = 1680 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.748877479985, rank prediction = 1681 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.754968044653, rank prediction = 1682 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17960, atomId = 3147, opReactId = 1680 rxnConditionsId= 1, smi = CC=[CH2:1] target = 1, prediction = 0.786472905531, rank prediction = 1685 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2136, atomId = 12193, opReactId = 2863 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2C(F)(F)F target = 1, prediction = 0.812705293418, rank prediction = 1688 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5848, atomId = 10891, opReactId = 2735 rxnConditionsId= 1, smi = CC[CH:1]1CCCC([CH+]1)C target = 1, prediction = 0.813217842297, rank prediction = 1689 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.815605999718, rank prediction = 1691 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4199, atomId = 13808, opReactId = 3029 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=[NH:1])[O-] target = 1, prediction = 0.81873231765, rank prediction = 1692 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11423, atomId = 7884, opReactId = 2359 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=C[N-]C target = 1, prediction = 0.825333194915, rank prediction = 1694 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18007, atomId = 8809, opReactId = 2478 rxnConditionsId= 3, smi = CCC(C)(N1CCCC1)[OH:1] target = 1, prediction = 0.835637384275, rank prediction = 1695 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.846515011402, rank prediction = 1697 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9511, atomId = 12439, opReactId = 2890 rxnConditionsId= 1, smi = [NH2:1]O target = 1, prediction = 0.850840633297, rank prediction = 1699 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10024, atomId = 4043, opReactId = 1920 rxnConditionsId= 3, smi = CCC(C)([N:1]1CCCC1)[OH2+] target = 1, prediction = 0.86756084493, rank prediction = 1704 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2765, atomId = 3147, opReactId = 1680 rxnConditionsId= 2, smi = CC=[CH2:1] target = 1, prediction = 0.868966058855, rank prediction = 1705 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.873832971959, rank prediction = 1706 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13428, atomId = 5266, opReactId = 2045 rxnConditionsId= 1, smi = CNC=[CH:1]CO target = 1, prediction = 0.873916766497, rank prediction = 1707 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14902, atomId = 7594, opReactId = 2332 rxnConditionsId= 3, smi = CC(=[NH:1])[O-] target = 1, prediction = 0.876674326059, rank prediction = 1709 isPredictedFilled = True, isPredictedUnfilled = False