Worst predictions : D4H0_un_e129_s7_lowestPos.txt

rAtomId = 11318, atomId = 7457, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)[C:1](=O)C target = 1, prediction = 0.218975679353, rank prediction = 1232 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.400188896491, rank prediction = 1393 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5508, atomId = 11668, opReactId = 2830 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH2+:1]C([O-])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.404815395252, rank prediction = 1395 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.42294280116, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.425135010043, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2241, atomId = 14709, opReactId = 3110 rxnConditionsId= 1, smi = c1ccc(cc1)C(=O)[OH:1] target = 1, prediction = 0.428331730075, rank prediction = 1414 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.453262920695, rank prediction = 1428 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14152, atomId = 7852, opReactId = 2356 rxnConditionsId= 6, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.490150587924, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.500574368076, rank prediction = 1458 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16737, atomId = 7460, opReactId = 2306 rxnConditionsId= 1, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.509251238623, rank prediction = 1462 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.513138486852, rank prediction = 1464 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8012, atomId = 1969, opReactId = 1523 rxnConditionsId= 2, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.545121967487, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6328, atomId = 1601, opReactId = 1691 rxnConditionsId= 1, smi = CC(=O)[OH:1] target = 1, prediction = 0.592628700213, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11322, atomId = 7460, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.593285994177, rank prediction = 1510 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.60174636685, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.602415640228, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.607490317958, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.608620589692, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16566, atomId = 7856, opReactId = 2356 rxnConditionsId= 7, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.628570525426, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14869, atomId = 13766, opReactId = 3011 rxnConditionsId= 1, smi = C[CH:1]([CH-]C#N)O target = 1, prediction = 0.645578048778, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18152, atomId = 1969, opReactId = 1523 rxnConditionsId= 1, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.652843431624, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.67159329546, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.673073399148, rank prediction = 1551 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11462, atomId = 7043, opReactId = 2279 rxnConditionsId= 3, smi = C[C:1](=O)OC target = 1, prediction = 0.67989822062, rank prediction = 1554 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9044, atomId = 14400, opReactId = 3075 rxnConditionsId= 1, smi = CC[CH:1]=O target = 1, prediction = 0.687135957016, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1272, atomId = 7042, opReactId = 2279 rxnConditionsId= 7, smi = [CH3:1]C(=O)OC target = 1, prediction = 0.687278775749, rank prediction = 1557 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12062, atomId = 11022, opReactId = 2739 rxnConditionsId= 1, smi = CCNC(=O)CCCC(=[N+]1CCCC1)[CH3:1] target = 1, prediction = 0.688160654376, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18420, atomId = 14927, opReactId = 3142 rxnConditionsId= 1, smi = C[C:1](=O)OC=O target = 1, prediction = 0.688486079309, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16567, atomId = 7852, opReactId = 2356 rxnConditionsId= 7, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.689416098668, rank prediction = 1560 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11048, atomId = 6839, opReactId = 2226 rxnConditionsId= 3, smi = CN(C)C(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.699465598803, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True