Worst predictions : D4H0_fi_e131_s2_lowestPos.txt

rAtomId = 7123, atomId = 11986, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.00611254052934, rank prediction = 323 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11236, atomId = 6011, opReactId = 2155 rxnConditionsId= 3, smi = CC(=[O:1])[O-] target = 1, prediction = 0.0960052443181, rank prediction = 1202 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.122923343852, rank prediction = 1257 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.145661677297, rank prediction = 1289 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6019, atomId = 6011, opReactId = 2155 rxnConditionsId= 1, smi = CC(=[O:1])[O-] target = 1, prediction = 0.166355233416, rank prediction = 1320 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.173819718461, rank prediction = 1330 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.200664600655, rank prediction = 1358 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9501, atomId = 5631, opReactId = 2091 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.221860338684, rank prediction = 1385 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13566, atomId = 11045, opReactId = 2744 rxnConditionsId= 1, smi = C[CH:1](CO)Br target = 1, prediction = 0.388658713812, rank prediction = 1507 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14965, atomId = 8774, opReactId = 2462 rxnConditionsId= 1, smi = CC(c1ccccc1)[CH:1](C)Br target = 1, prediction = 0.394490453256, rank prediction = 1513 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3385, atomId = 11779, opReactId = 2818 rxnConditionsId= 3, smi = CCC(=O)[OH:1] target = 1, prediction = 0.397683140152, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.427729391505, rank prediction = 1521 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4983, atomId = 7855, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCCC([CH:1]1Cl)C target = 1, prediction = 0.499620547496, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.522271926275, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9579, atomId = 3201, opReactId = 1818 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)Br target = 1, prediction = 0.534513735299, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.565148792047, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17704, atomId = 10809, opReactId = 2715 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC=C(C)C target = 1, prediction = 0.584519013528, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6842, atomId = 1225, opReactId = 1655 rxnConditionsId= 1, smi = C[O:1]CC=C target = 1, prediction = 0.595804852051, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1919, atomId = 3201, opReactId = 1818 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)Br target = 1, prediction = 0.627306066613, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14520, atomId = 13190, opReactId = 2949 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.635437922353, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.639110898664, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9581, atomId = 3203, opReactId = 1818 rxnConditionsId= 1, smi = c1c[cH:1]c(cc1)Br target = 1, prediction = 0.667094831956, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6395, atomId = 9223, opReactId = 2528 rxnConditionsId= 3, smi = CCC(=[N-:1])C#CC target = 1, prediction = 0.671261305762, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6837, atomId = 1228, opReactId = 1655 rxnConditionsId= 1, smi = COCC=[CH2:1] target = 1, prediction = 0.679659469644, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.699961612042, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.704790605425, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.70492186657, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6709, atomId = 6060, opReactId = 2162 rxnConditionsId= 1, smi = CC[O:1]C(C=C)(O)O target = 1, prediction = 0.707942753763, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.71251992479, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.741787199084, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False