Worst predictions : D4H10_un_e131_s5_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570
rxnConditionsId= 2, smi = [Br:1]Br
target = 1, prediction = 0.00254963896775, rank prediction = 609
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570
rxnConditionsId= 1, smi = [Br:1]Br
target = 1, prediction = 0.00521480143443, rank prediction = 766
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570
rxnConditionsId= 8, smi = [Br:1]Br
target = 1, prediction = 0.00607928549266, rank prediction = 795
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5340, atomId = 5896, opReactId = 2142
rxnConditionsId= 3, smi = c1ccc(cc1)[N+]#[N:1]
target = 1, prediction = 0.149975227688, rank prediction = 1347
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 = 0.173396943188, rank prediction = 1375
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 = 0.245435986057, rank prediction = 1437
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5890, atomId = 10306, opReactId = 2661
rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(CC)CC
target = 1, prediction = 0.251923176066, rank prediction = 1444
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11639, atomId = 10513, opReactId = 2674
rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C
target = 1, prediction = 0.33809782458, rank prediction = 1491
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11760, atomId = 7124, opReactId = 2270
rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccc(cc1)I)(c2ccc(cc2)I)O
target = 1, prediction = 0.363851647464, rank prediction = 1500
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134
rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br
target = 1, prediction = 0.426925293437, rank prediction = 1534
isPredictedFilled = False, isPredictedUnfilled = True

CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O

rAtomId = 15678, atomId = 11727, opReactId = 2833
rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O
target = 1, prediction = 0.464907401493, rank prediction = 1552
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807
rxnConditionsId= 2, smi = CC[C:1]#[NH+]
target = 1, prediction = 0.470279241538, rank prediction = 1555
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134
rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br
target = 1, prediction = 0.518852521318, rank prediction = 1574
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129
rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1]
target = 1, prediction = 0.562506543976, rank prediction = 1590
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033
rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-]
target = 1, prediction = 0.581366484886, rank prediction = 1597
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121
rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C
target = 1, prediction = 0.584691543056, rank prediction = 1599
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158
rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br
target = 1, prediction = 0.59360758747, rank prediction = 1604
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 = 0.611794042224, rank prediction = 1612
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2772, atomId = 4305, opReactId = 1807
rxnConditionsId= 1, smi = CC[C:1]#[NH+]
target = 1, prediction = 0.618750047202, rank prediction = 1617
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724
rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN
target = 1, prediction = 0.638486831792, rank prediction = 1627
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181
rxnConditionsId= 1, smi = C([CH2:1]Br)[O-]
target = 1, prediction = 0.653204765506, rank prediction = 1629
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13450, atomId = 6075, opReactId = 2158
rxnConditionsId= 3, smi = [CH3:1]C(c1ccccc1)Br
target = 1, prediction = 0.68151142695, rank prediction = 1638
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3758, atomId = 7945, opReactId = 2377
rxnConditionsId= 1, smi = CCOC(=O)C=C(Cc1ccccc1)[OH:1]
target = 1, prediction = 0.694374794379, rank prediction = 1642
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10990, atomId = 10945, opReactId = 2738
rxnConditionsId= 1, smi = C[CH2:1][C+]1CCCC(C1)C
target = 1, prediction = 0.697770038966, rank prediction = 1645
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 = 0.698126319441, rank prediction = 1646
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17117, atomId = 6270, opReactId = 2181
rxnConditionsId= 6, smi = C([CH2:1]Br)[O-]
target = 1, prediction = 0.720998046742, rank prediction = 1648
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8726, atomId = 11008, opReactId = 2729
rxnConditionsId= 1, smi = CCN(CC)C(=O)CCCC(=[N+]1CCCC1)[CH3:1]
target = 1, prediction = 0.727977578204, rank prediction = 1650
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7031, atomId = 6270, opReactId = 2181
rxnConditionsId= 3, smi = C([CH2:1]Br)[O-]
target = 1, prediction = 0.73199217212, rank prediction = 1652
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13021, atomId = 10059, opReactId = 2599
rxnConditionsId= 1, smi = C[CH2:1]C(=O)CC
target = 1, prediction = 0.748877361863, rank prediction = 1655
isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11001, atomId = 10951, opReactId = 2738
rxnConditionsId= 1, smi = CC[C+]1[CH2:1]CCC(C1)C
target = 1, prediction = 0.755568789673, rank prediction = 1659
isPredictedFilled = False, isPredictedUnfilled = True