Worst predictions : D4H0_un_e128_s4_lowestPos.txt

[Li]C[CH:1]=CC
rAtomId = 1373, atomId = 8641, opReactId = 2448
rxnConditionsId= 3, smi = [Li]C[CH:1]=CC
target = 1, prediction = 0.0691162300315, rank prediction = 869
isPredictedFilled = False, isPredictedUnfilled = True
c1cc[c:1](c(c1)[N+](=O)[O-])F
rAtomId = 15974, atomId = 9498, opReactId = 2534
rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F
target = 1, prediction = 0.0835681385347, rank prediction = 938
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc2c(c1)C(=O)[NH:1]C2=O
rAtomId = 10730, atomId = 11097, opReactId = 2750
rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O
target = 1, prediction = 0.093642894559, rank prediction = 968
isPredictedFilled = False, isPredictedUnfilled = True
c1cc[c:1](c(c1)[N+](=O)[O-])F
rAtomId = 10805, atomId = 9498, opReactId = 2534
rxnConditionsId= 3, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F
target = 1, prediction = 0.114091718417, rank prediction = 1028
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C=CC(=O)C
rAtomId = 3594, atomId = 7033, opReactId = 2278
rxnConditionsId= 1, smi = [CH3:1]C=CC(=O)C
target = 1, prediction = 0.134027449836, rank prediction = 1076
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C(C(=O)C)Br
rAtomId = 10696, atomId = 5815, opReactId = 2133
rxnConditionsId= 1, smi = [CH3:1]C(C(=O)C)Br
target = 1, prediction = 0.15549060112, rank prediction = 1118
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C=CC(=O)C
rAtomId = 15739, atomId = 7033, opReactId = 2278
rxnConditionsId= 3, smi = [CH3:1]C=CC(=O)C
target = 1, prediction = 0.179374074369, rank prediction = 1162
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C[N+](C)(C)C
rAtomId = 17556, atomId = 10186, opReactId = 2641
rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C
target = 1, prediction = 0.191482314213, rank prediction = 1174
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C(C(=O)C)Br
rAtomId = 5713, atomId = 5815, opReactId = 2133
rxnConditionsId= 3, smi = [CH3:1]C(C(=O)C)Br
target = 1, prediction = 0.206368483398, rank prediction = 1203
isPredictedFilled = False, isPredictedUnfilled = True
CCC([CH3:1])(C)[N+](C)(C)C
rAtomId = 11639, atomId = 10513, opReactId = 2674
rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C
target = 1, prediction = 0.228009071346, rank prediction = 1222
isPredictedFilled = False, isPredictedUnfilled = True
CC(=O)[NH2:1]
rAtomId = 6865, atomId = 13669, opReactId = 2995
rxnConditionsId= 1, smi = CC(=O)[NH2:1]
target = 1, prediction = 0.266345779143, rank prediction = 1263
isPredictedFilled = False, isPredictedUnfilled = True
CC(C(=O)[CH3:1])Br
rAtomId = 10702, atomId = 5823, opReactId = 2133
rxnConditionsId= 1, smi = CC(C(=O)[CH3:1])Br
target = 1, prediction = 0.286965021438, rank prediction = 1288
isPredictedFilled = False, isPredictedUnfilled = True
CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC(=O)OC[CH:1]2c3ccccc3-c4c2cccc4
rAtomId = 7226, atomId = 15320, opReactId = 3168
rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC(=O)OC[CH:1]2c3ccccc3-c4c2cccc4
target = 1, prediction = 0.292650829877, rank prediction = 1294
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C(=O)CCCC(=O)C
rAtomId = 3725, atomId = 14249, opReactId = 3068
rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C
target = 1, prediction = 0.330593205777, rank prediction = 1324
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 = 0.343006419199, rank prediction = 1329
isPredictedFilled = False, isPredictedUnfilled = True
CC(C(=O)[CH3:1])Br
rAtomId = 5717, atomId = 5823, opReactId = 2133
rxnConditionsId= 3, smi = CC(C(=O)[CH3:1])Br
target = 1, prediction = 0.362401627419, rank prediction = 1343
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C#N
rAtomId = 6435, atomId = 4502, opReactId = 1953
rxnConditionsId= 1, smi = [CH3:1]C#N
target = 1, prediction = 0.378926362682, rank prediction = 1355
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]c1ccncc1
rAtomId = 14656, atomId = 5578, opReactId = 2101
rxnConditionsId= 7, smi = [CH3:1]c1ccncc1
target = 1, prediction = 0.3812948798, rank prediction = 1358
isPredictedFilled = False, isPredictedUnfilled = True
CCNC(=O)[CH3:1]
rAtomId = 11098, atomId = 7893, opReactId = 2365
rxnConditionsId= 1, smi = CCNC(=O)[CH3:1]
target = 1, prediction = 0.406101185487, rank prediction = 1377
isPredictedFilled = False, isPredictedUnfilled = True
c1ccnc(c1)[OH:1]
rAtomId = 17959, atomId = 14465, opReactId = 3098
rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1]
target = 1, prediction = 0.408990095817, rank prediction = 1380
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc(cc1)CC(=CC(=O)[OH:1])O
rAtomId = 2444, atomId = 11423, opReactId = 2792
rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O
target = 1, prediction = 0.409761823163, rank prediction = 1381
isPredictedFilled = False, isPredictedUnfilled = True
[CH3:1]C(=O)c1cccc(c1)Br
rAtomId = 15407, atomId = 7445, opReactId = 2305
rxnConditionsId= 3, smi = [CH3:1]C(=O)c1cccc(c1)Br
target = 1, prediction = 0.422073411599, rank prediction = 1391
isPredictedFilled = False, isPredictedUnfilled = True
c1ccc(cc1)[C:1]2=C[Br+]2
rAtomId = 1951, atomId = 2921, opReactId = 1633
rxnConditionsId= 1, smi = c1ccc(cc1)[C:1]2=C[Br+]2
target = 1, prediction = 0.457810406132, rank prediction = 1413
isPredictedFilled = False, isPredictedUnfilled = True
CC=CC(=O)[CH3:1]
rAtomId = 8182, atomId = 7041, opReactId = 2278
rxnConditionsId= 7, smi = CC=CC(=O)[CH3:1]
target = 1, prediction = 0.480349375868, rank prediction = 1426
isPredictedFilled = False, isPredictedUnfilled = True
CCNC(=O)[CH3:1]
rAtomId = 6224, atomId = 7893, opReactId = 2365
rxnConditionsId= 3, smi = CCNC(=O)[CH3:1]
target = 1, prediction = 0.491277892485, rank prediction = 1431
isPredictedFilled = False, isPredictedUnfilled = True
c1cncc[c:1]1Cl
rAtomId = 10091, atomId = 5591, opReactId = 2098
rxnConditionsId= 1, smi = c1cncc[c:1]1Cl
target = 1, prediction = 0.568004097119, rank prediction = 1475
isPredictedFilled = False, isPredictedUnfilled = True
C[CH2:1]C(=O)NC
rAtomId = 16406, atomId = 9942, opReactId = 2593
rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC
target = 1, prediction = 0.583654206166, rank prediction = 1486
isPredictedFilled = False, isPredictedUnfilled = True
C[C:1](=O)c1cccc(c1)Br
rAtomId = 15406, atomId = 7446, opReactId = 2305
rxnConditionsId= 3, smi = C[C:1](=O)c1cccc(c1)Br
target = 1, prediction = 0.615204971084, rank prediction = 1499
isPredictedFilled = False, isPredictedUnfilled = True
C[CH2:1][CH+]c1ccccc1
rAtomId = 6416, atomId = 2725, opReactId = 1546
rxnConditionsId= 1, smi = C[CH2:1][CH+]c1ccccc1
target = 1, prediction = 0.633309776744, rank prediction = 1508
isPredictedFilled = False, isPredictedUnfilled = True
c1cncc[c:1]1Cl
rAtomId = 4681, atomId = 5591, opReactId = 2098
rxnConditionsId= 3, smi = c1cncc[c:1]1Cl
target = 1, prediction = 0.649974509303, rank prediction = 1514
isPredictedFilled = False, isPredictedUnfilled = True