Worst predictions : D4H0_un_e126_s3_lowestPos.txt

rAtomId = 15974, atomId = 9498, opReactId = 2534 rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0685045476962, rank prediction = 839 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10805, atomId = 9498, opReactId = 2534 rxnConditionsId= 3, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0940371906611, rank prediction = 939 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11813, atomId = 15289, opReactId = 3165 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC(=O)OC[CH:1]3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.231304549982, rank prediction = 1189 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.327573080322, rank prediction = 1290 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.336373710612, rank prediction = 1295 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.371857744642, rank prediction = 1320 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.397145904891, rank prediction = 1337 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11263, atomId = 11311, opReactId = 2778 rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1] target = 1, prediction = 0.402092973214, rank prediction = 1341 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.417045665497, rank prediction = 1349 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.498702236518, rank prediction = 1393 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5796, atomId = 9145, opReactId = 2506 rxnConditionsId= 1, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.528534046331, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.538983650841, rank prediction = 1416 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10406, atomId = 7260, opReactId = 2287 rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.565457920102, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1153, atomId = 1603, opReactId = 1487 rxnConditionsId= 3, smi = CC1[CH2:1]O1 target = 1, prediction = 0.578791379709, rank prediction = 1443 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6659, atomId = 3667, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.584042874222, rank prediction = 1447 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2636, atomId = 9982, opReactId = 2601 rxnConditionsId= 1, smi = CCOC(=O)[CH:1](CCCCBr)C(=O)OCC target = 1, prediction = 0.601313461083, rank prediction = 1451 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16248, atomId = 14410, opReactId = 3093 rxnConditionsId= 1, smi = CC(C)([CH2:1]C#N)O target = 1, prediction = 0.605361058062, rank prediction = 1454 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18457, atomId = 9145, opReactId = 2506 rxnConditionsId= 3, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.612739810462, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13021, atomId = 10059, opReactId = 2599 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CC target = 1, prediction = 0.62069341027, rank prediction = 1462 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4517, atomId = 14194, opReactId = 3066 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.62096752817, rank prediction = 1463 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.62385851696, rank prediction = 1465 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10714, atomId = 13784, opReactId = 3012 rxnConditionsId= 1, smi = [CH3:1][N+](=O)[O-] target = 1, prediction = 0.625059698635, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.633456441242, rank prediction = 1472 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15597, atomId = 7260, opReactId = 2287 rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.647467632409, rank prediction = 1483 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1643, atomId = 13714, opReactId = 2998 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(C)(C)O target = 1, prediction = 0.649827549371, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2000, atomId = 8889, opReactId = 2464 rxnConditionsId= 7, smi = [CH3:1]C(=O)CBr target = 1, prediction = 0.659397621828, rank prediction = 1487 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7974, atomId = 15006, opReactId = 3077 rxnConditionsId= 1, smi = C[CH:1](C=O)C(C)O target = 1, prediction = 0.661057821673, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18734, atomId = 11207, opReactId = 2766 rxnConditionsId= 1, smi = C[CH:1](CBr)O target = 1, prediction = 0.671366712458, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12062, atomId = 11022, opReactId = 2739 rxnConditionsId= 1, smi = CCNC(=O)CCCC(=[N+]1CCCC1)[CH3:1] target = 1, prediction = 0.671558882477, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6667, atomId = 3661, opReactId = 1741 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)C target = 1, prediction = 0.678698331518, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True