Worst predictions : D4H20_fi_e134_s3_lowestPos.txt

rAtomId = 17473, atomId = 10929, opReactId = 2724 rxnConditionsId= 1, smi = C=C[CH:1](c1ccccc1)Br target = 1, prediction = 0.283364159427, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12413, atomId = 5353, opReactId = 2064 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)(O)[O:1]CCO)O target = 1, prediction = 0.321899646062, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16051, atomId = 10446, opReactId = 2673 rxnConditionsId= 3, smi = C(CC(=O)[OH:1])CN target = 1, prediction = 0.344861002284, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2572, atomId = 5322, opReactId = 2052 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[O:1]CCO4)O target = 1, prediction = 0.398349513783, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15910, atomId = 12793, opReactId = 2926 rxnConditionsId= 2, smi = [CH2:1]=CCCCOc1ccccc1 target = 1, prediction = 0.547433668885, rank prediction = 1712 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.570615275465, rank prediction = 1718 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9177, atomId = 1907, opReactId = 1710 rxnConditionsId= 1, smi = CC=C[N:1](C)C target = 1, prediction = 0.579121964678, rank prediction = 1722 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.637271106982, rank prediction = 1731 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2239, atomId = 15390, opReactId = 3175 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+]2)[O-:1] target = 1, prediction = 0.659137851609, rank prediction = 1734 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4562, atomId = 8570, opReactId = 2441 rxnConditionsId= 6, smi = c1cnc[c-:1]c1N target = 1, prediction = 0.677139065525, rank prediction = 1738 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13325, atomId = 3936, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.713165575615, rank prediction = 1745 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13330, atomId = 3940, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.716443280082, rank prediction = 1746 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16015, atomId = 3927, opReactId = 1900 rxnConditionsId= 2, smi = [CH2:1]=CCc1ccccc1 target = 1, prediction = 0.717545619042, rank prediction = 1748 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3824, atomId = 5870, opReactId = 2130 rxnConditionsId= 3, smi = CC(=O)CC([NH:1]C)[OH2+] target = 1, prediction = 0.731278625472, rank prediction = 1749 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.751214347521, rank prediction = 1753 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3766, atomId = 4014, opReactId = 1916 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCC[OH:1] target = 1, prediction = 0.788132225679, rank prediction = 1758 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.816558335714, rank prediction = 1762 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5674, atomId = 2192, opReactId = 1539 rxnConditionsId= 1, smi = CC[NH:1]C(CCC(=O)C)[OH2+] target = 1, prediction = 0.817835119826, rank prediction = 1763 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16007, atomId = 3936, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.82616523287, rank prediction = 1768 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16009, atomId = 3940, opReactId = 1900 rxnConditionsId= 2, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.828919583387, rank prediction = 1770 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4883, atomId = 11464, opReactId = 2795 rxnConditionsId= 6, smi = [C-:1]#CCO target = 1, prediction = 0.853018751112, rank prediction = 1775 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3628, atomId = 4549, opReactId = 1814 rxnConditionsId= 1, smi = CCNC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.865223837958, rank prediction = 1777 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.865691325122, rank prediction = 1778 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7054, atomId = 12394, opReactId = 2881 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2[N+](=O)[O-] target = 1, prediction = 0.870529765237, rank prediction = 1780 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6983, atomId = 5056, opReactId = 2037 rxnConditionsId= 2, smi = CC=[CH:1][CH+]C target = 1, prediction = 0.88061236902, rank prediction = 1785 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7425, atomId = 3909, opReactId = 1887 rxnConditionsId= 1, smi = CCNC(CCC(=O)OCC)([OH:1])Cl target = 1, prediction = 0.880996827285, rank prediction = 1786 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18283, atomId = 11464, opReactId = 2795 rxnConditionsId= 3, smi = [C-:1]#CCO target = 1, prediction = 0.891883108249, rank prediction = 1790 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2144, atomId = 5483, opReactId = 2073 rxnConditionsId= 1, smi = CC[OH+]C(C)(C)[O:1]CC target = 1, prediction = 0.892142150189, rank prediction = 1791 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10350, atomId = 3372, opReactId = 1853 rxnConditionsId= 1, smi = CC[OH+]C(CC(=O)OCC)([OH:1])O target = 1, prediction = 0.897180125051, rank prediction = 1794 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10141, atomId = 2901, opReactId = 1782 rxnConditionsId= 1, smi = CC(C)([OH2+])[O:1]CCO target = 1, prediction = 0.902183617115, rank prediction = 1795 isPredictedFilled = True, isPredictedUnfilled = False