Worst predictions : D4H0_fi_e127_s8_lowestPos.txt

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.362265074923, rank prediction = 1462 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.379669488615, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9642, atomId = 5890, opReactId = 2141 rxnConditionsId= 3, smi = COc1cc[cH:1]cc1 target = 1, prediction = 0.46345257029, rank prediction = 1507 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.492629740254, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.546684136785, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.583152320762, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.62411751211, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.637361808538, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6395, atomId = 9223, opReactId = 2528 rxnConditionsId= 3, smi = CCC(=[N-:1])C#CC target = 1, prediction = 0.646681095616, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.647517789853, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.656361609332, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.680717197894, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7054, atomId = 12394, opReactId = 2881 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2[N+](=O)[O-] target = 1, prediction = 0.745316975105, rank prediction = 1605 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1985, atomId = 1586, opReactId = 1540 rxnConditionsId= 1, smi = COC=[CH:1]c1ccccc1 target = 1, prediction = 0.751200985528, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.768847559119, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18007, atomId = 8809, opReactId = 2478 rxnConditionsId= 3, smi = CCC(C)(N1CCCC1)[OH:1] target = 1, prediction = 0.77018732227, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.775657471995, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16167, atomId = 1531, opReactId = 1527 rxnConditionsId= 1, smi = CCOC(=O)CCC(C)([OH2+])[O:1]CC target = 1, prediction = 0.782791488652, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6176, atomId = 13115, opReactId = 2951 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.784298989428, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7649, atomId = 4319, opReactId = 1880 rxnConditionsId= 1, smi = C[O:1]C(Cc1ccccc1)O target = 1, prediction = 0.784671690952, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.794403254839, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9890, atomId = 11674, opReactId = 2835 rxnConditionsId= 2, smi = COc1cc[cH:1]cc1Br target = 1, prediction = 0.802042113356, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15147, atomId = 5060, opReactId = 2038 rxnConditionsId= 2, smi = C[CH:1](C1(CCCC1)C)[OH2+] target = 1, prediction = 0.805229422937, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.809182483845, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4064, atomId = 6637, opReactId = 2245 rxnConditionsId= 3, smi = CC(=C)[N:1]1CCCC1 target = 1, prediction = 0.814853859785, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1855, atomId = 8655, opReactId = 2446 rxnConditionsId= 3, smi = [Li][CH:1](C)C=C target = 1, prediction = 0.815694247249, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11091, atomId = 2712, opReactId = 1771 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)O target = 1, prediction = 0.84670467153, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13514, atomId = 2099, opReactId = 1616 rxnConditionsId= 3, smi = C[OH:1] target = 1, prediction = 0.846909145067, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13198, atomId = 1439, opReactId = 1504 rxnConditionsId= 3, smi = CC[OH:1] target = 1, prediction = 0.848167539732, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12668, atomId = 3765, opReactId = 1828 rxnConditionsId= 1, smi = CCNC(CCC(=O)NC)([OH:1])[OH+]CC target = 1, prediction = 0.848824036505, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False