Worst predictions : D4H20_fi_e132_s3_lowestPos.txt

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.0979753444636, rank prediction = 1323 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.188270560996, rank prediction = 1398 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17473, atomId = 10929, opReactId = 2724 rxnConditionsId= 1, smi = C=C[CH:1](c1ccccc1)Br target = 1, prediction = 0.216049979864, rank prediction = 1416 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.240240748113, rank prediction = 1432 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.346737630903, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.430934593351, rank prediction = 1507 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.439096756728, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.522434894903, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4636, atomId = 4630, opReactId = 1985 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C=O target = 1, prediction = 0.52355362605, rank prediction = 1539 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.550611056027, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.58867850546, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.608432664637, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11215, atomId = 12431, opReactId = 2889 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)OC(=O)Cl target = 1, prediction = 0.705558380768, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14082, atomId = 6219, opReactId = 2180 rxnConditionsId= 3, smi = CCOC(=O)CC(C)(NC)[OH:1] target = 1, prediction = 0.706861696491, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.722817343656, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.723237672283, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3766, atomId = 4014, opReactId = 1916 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCC[OH:1] target = 1, prediction = 0.732539854596, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15931, atomId = 1453, opReactId = 1520 rxnConditionsId= 1, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.739875274259, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.742340655777, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.74248866532, rank prediction = 1586 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15930, atomId = 1459, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.747160754772, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5274, atomId = 2507, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.75136017241, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15935, atomId = 1463, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.75390819789, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.78644886163, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.829623751237, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18688, atomId = 2563, opReactId = 1774 rxnConditionsId= 3, smi = CC[NH:1]C(C)[OH2+] target = 1, prediction = 0.832058544096, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18340, atomId = 1453, opReactId = 1520 rxnConditionsId= 2, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.83586264228, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17826, atomId = 15367, opReactId = 3172 rxnConditionsId= 1, smi = CCN(CC)C(C)(C)[OH:1] target = 1, prediction = 0.838243507535, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.839798745802, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18333, atomId = 1459, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.843103309218, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False