Worst predictions : D4H0_fi_e132_s1_lowestPos.txt

rAtomId = 9759, atomId = 4880, opReactId = 1658 rxnConditionsId= 1, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.31979214567, rank prediction = 1515 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3188, atomId = 10936, opReactId = 2725 rxnConditionsId= 1, smi = C=[CH:1][CH+]c1ccccc1 target = 1, prediction = 0.343655082471, rank prediction = 1533 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2155, atomId = 4880, opReactId = 1658 rxnConditionsId= 2, smi = C[CH+][CH2:1]OC target = 1, prediction = 0.407599208565, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.421887846988, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3385, atomId = 11779, opReactId = 2818 rxnConditionsId= 3, smi = CCC(=O)[OH:1] target = 1, prediction = 0.423569449439, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.437467599996, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.492652440883, rank prediction = 1615 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 = 0.502676727099, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14023, atomId = 3465, opReactId = 1870 rxnConditionsId= 1, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.552257931681, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11317, atomId = 4110, opReactId = 1931 rxnConditionsId= 1, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.568745520151, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.587269571702, rank prediction = 1660 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.587904103906, rank prediction = 1661 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.598802986544, rank prediction = 1664 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.602116142527, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.612076206806, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.632067124771, rank prediction = 1680 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6478, atomId = 3465, opReactId = 1870 rxnConditionsId= 2, smi = C[CH+]CCCc1[cH:1]cccc1 target = 1, prediction = 0.643508766115, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.650794593681, rank prediction = 1687 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.651679796784, rank prediction = 1688 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18429, atomId = 5413, opReactId = 2080 rxnConditionsId= 7, smi = C=C([O-:1])Cl target = 1, prediction = 0.654734902155, rank prediction = 1689 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12206, atomId = 2805, opReactId = 1778 rxnConditionsId= 1, smi = C[C:1](=COC)C target = 1, prediction = 0.656275063638, rank prediction = 1691 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.657522218418, rank prediction = 1692 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1077, atomId = 4110, opReactId = 1931 rxnConditionsId= 2, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.658712706031, rank prediction = 1693 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.671976744594, rank prediction = 1697 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.681233462129, rank prediction = 1702 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.687795326539, rank prediction = 1706 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.715433809294, rank prediction = 1713 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14351, atomId = 10787, opReactId = 2714 rxnConditionsId= 1, smi = CC(C)[CH:1](CC=C(C)C)Cl target = 1, prediction = 0.722777018983, rank prediction = 1715 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1985, atomId = 1586, opReactId = 1540 rxnConditionsId= 1, smi = COC=[CH:1]c1ccccc1 target = 1, prediction = 0.731456151807, rank prediction = 1719 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.732478466456, rank prediction = 1720 isPredictedFilled = True, isPredictedUnfilled = False