Worst predictions : D4H10_fi_e127_s7_lowestPos.txt

rAtomId = 16208, atomId = 2283, opReactId = 1533 rxnConditionsId= 3, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.0511595731119, rank prediction = 1304 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3518, atomId = 2283, opReactId = 1533 rxnConditionsId= 1, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.0817684512094, rank prediction = 1375 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.209788095951, rank prediction = 1469 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.248982720116, rank prediction = 1493 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.348239612029, rank prediction = 1539 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11671, atomId = 2348, opReactId = 1750 rxnConditionsId= 1, smi = CC1(CC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.412715917728, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.432972934342, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11607, atomId = 15020, opReactId = 3152 rxnConditionsId= 1, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(O)I target = 1, prediction = 0.475364745638, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4950, atomId = 3826, opReactId = 1905 rxnConditionsId= 1, smi = CCC#[N:1] target = 1, prediction = 0.492820228741, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12201, atomId = 5650, opReactId = 2113 rxnConditionsId= 6, smi = Cc1ccc[c-:1]c1N target = 1, prediction = 0.558433625294, rank prediction = 1594 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11551, atomId = 11745, opReactId = 2834 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC([O-:1])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.564494992291, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16213, atomId = 2277, opReactId = 1533 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.580155256406, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.590968753345, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.611607581505, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2462, atomId = 3826, opReactId = 1905 rxnConditionsId= 2, smi = CCC#[N:1] target = 1, prediction = 0.615926238573, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17579, atomId = 4706, opReactId = 1979 rxnConditionsId= 1, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.622499382397, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5462, atomId = 13330, opReactId = 2978 rxnConditionsId= 2, smi = [CH2:1]=CCCc1ccccc1 target = 1, prediction = 0.647627246006, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.657806086042, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.673643416405, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.744281458351, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7477, atomId = 4706, opReactId = 1979 rxnConditionsId= 2, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.745912480529, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3523, atomId = 2277, opReactId = 1533 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.762547914681, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17960, atomId = 3147, opReactId = 1680 rxnConditionsId= 1, smi = CC=[CH2:1] target = 1, prediction = 0.797431512369, rank prediction = 1656 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2136, atomId = 12193, opReactId = 2863 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2C(F)(F)F target = 1, prediction = 0.801224172485, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5933, atomId = 5505, opReactId = 2078 rxnConditionsId= 2, smi = C[CH:1](C=C)[OH2+] target = 1, prediction = 0.804276268347, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10552, atomId = 12375, opReactId = 2895 rxnConditionsId= 1, smi = CC(C)([NH:1]O)[OH2+] target = 1, prediction = 0.805866870167, rank prediction = 1660 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3935, atomId = 1849, opReactId = 1580 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)[OH2+] target = 1, prediction = 0.815969384488, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1752, atomId = 4934, opReactId = 1997 rxnConditionsId= 3, smi = CCNC(C)(C)[OH:1] target = 1, prediction = 0.836350093929, rank prediction = 1670 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.837383469712, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18629, atomId = 2277, opReactId = 1533 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.849211544396, rank prediction = 1675 isPredictedFilled = True, isPredictedUnfilled = False