Worst predictions : D4H20_un_e126_s4_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00337859354551, rank prediction = 589 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12775, atomId = 8293, opReactId = 2407 rxnConditionsId= 1, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.0369271725663, rank prediction = 1062 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17790, atomId = 8293, opReactId = 2407 rxnConditionsId= 3, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.0573343903763, rank prediction = 1154 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.071587530719, rank prediction = 1190 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14775, atomId = 5150, opReactId = 2040 rxnConditionsId= 2, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.0952321668514, rank prediction = 1237 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12035, atomId = 5150, opReactId = 2040 rxnConditionsId= 1, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.192644511272, rank prediction = 1342 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.299982987715, rank prediction = 1420 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.305238708295, rank prediction = 1423 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13551, atomId = 8462, opReactId = 2414 rxnConditionsId= 1, smi = CN(C)C(=O)CCC(=O)[CH:1](CC(=O)N(C)C)C(=O)OC target = 1, prediction = 0.318805992818, rank prediction = 1435 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.331473721856, rank prediction = 1440 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14459, atomId = 6554, opReactId = 2230 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.38579067399, rank prediction = 1462 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.431759450368, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8341, atomId = 8462, opReactId = 2414 rxnConditionsId= 3, smi = CN(C)C(=O)CCC(=O)[CH:1](CC(=O)N(C)C)C(=O)OC target = 1, prediction = 0.432487267227, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8012, atomId = 1969, opReactId = 1523 rxnConditionsId= 2, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.448931688811, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9226, atomId = 6554, opReactId = 2230 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.456116619792, rank prediction = 1497 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.476312239245, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.56715611451, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12229, atomId = 7948, opReactId = 2369 rxnConditionsId= 3, smi = [Li]O[C:1](CC#N)(c1ccccc1)N(C)C target = 1, prediction = 0.578418611815, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.600752193529, rank prediction = 1561 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7782, atomId = 9887, opReactId = 2586 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br target = 1, prediction = 0.604750584869, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.605154520349, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16633, atomId = 11125, opReactId = 2754 rxnConditionsId= 6, smi = CCO[C:1](=O)CCC[O-] target = 1, prediction = 0.616784146447, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18152, atomId = 1969, opReactId = 1523 rxnConditionsId= 1, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.636578438198, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18374, atomId = 1499, opReactId = 1474 rxnConditionsId= 2, smi = C[CH:1]=[NH+]C target = 1, prediction = 0.64143786448, rank prediction = 1577 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2287, atomId = 9204, opReactId = 2520 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1F target = 1, prediction = 0.64479484933, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3205, atomId = 11872, opReactId = 2827 rxnConditionsId= 3, smi = CC(=O)ON=[CH:1]C(CO)O target = 1, prediction = 0.650929330853, rank prediction = 1582 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11796, atomId = 6122, opReactId = 2168 rxnConditionsId= 1, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.665327698291, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15003, atomId = 5789, opReactId = 2126 rxnConditionsId= 3, smi = CC(=O)C[CH:1]=O target = 1, prediction = 0.673816132138, rank prediction = 1596 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17055, atomId = 6122, opReactId = 2168 rxnConditionsId= 3, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.732305870812, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3687, atomId = 14202, opReactId = 3059 rxnConditionsId= 1, smi = C[CH:1]1C(=O)CCC2(C1(CCCC2)O)C target = 1, prediction = 0.737723883338, rank prediction = 1617 isPredictedFilled = False, isPredictedUnfilled = True