Worst predictions : D4H0_un_e131_s6_lowestPos.txt

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.104572360636, rank prediction = 926 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.209316464937, rank prediction = 1136 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.249097449807, rank prediction = 1177 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.333869256804, rank prediction = 1252 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5112, atomId = 12134, opReactId = 2845 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1](=O)Oc2ccccc2 target = 1, prediction = 0.383804959816, rank prediction = 1291 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.384380493372, rank prediction = 1293 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2444, atomId = 11423, opReactId = 2792 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O target = 1, prediction = 0.392031679383, rank prediction = 1297 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.405282620861, rank prediction = 1306 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.405855562426, rank prediction = 1308 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.413766422448, rank prediction = 1312 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15458, atomId = 5099, opReactId = 2041 rxnConditionsId= 1, smi = CN=CC=[CH2:1] target = 1, prediction = 0.434110688885, rank prediction = 1323 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14656, atomId = 5578, opReactId = 2101 rxnConditionsId= 7, smi = [CH3:1]c1ccncc1 target = 1, prediction = 0.437539254655, rank prediction = 1329 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11189, atomId = 7186, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.43827633403, rank prediction = 1330 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.460947145066, rank prediction = 1347 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14152, atomId = 7852, opReactId = 2356 rxnConditionsId= 6, smi = CC1([CH2:1]CCC1Br)Br target = 1, prediction = 0.468917603033, rank prediction = 1354 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13017, atomId = 4449, opReactId = 1955 rxnConditionsId= 2, smi = C[C:1]#[NH+] target = 1, prediction = 0.468992590323, rank prediction = 1355 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8561, atomId = 8242, opReactId = 2405 rxnConditionsId= 3, smi = C[CH:1](C)C(CC(C(C)C)Br)Br target = 1, prediction = 0.473601608832, rank prediction = 1357 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1951, atomId = 2921, opReactId = 1633 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1]2=C[Br+]2 target = 1, prediction = 0.476204505957, rank prediction = 1359 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.477120734824, rank prediction = 1360 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.48970599406, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12078, atomId = 15105, opReactId = 3139 rxnConditionsId= 1, smi = CC12CCC(=O)[CH:1](C1(CCC2=O)O)CCc3cccc(c3)OC target = 1, prediction = 0.492477905494, rank prediction = 1374 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5796, atomId = 9145, opReactId = 2506 rxnConditionsId= 1, smi = [CH3:1]C(=O)N(C)C target = 1, prediction = 0.492965709457, rank prediction = 1376 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.493317931604, rank prediction = 1377 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.518390938016, rank prediction = 1394 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10489, atomId = 5099, opReactId = 2041 rxnConditionsId= 3, smi = CN=CC=[CH2:1] target = 1, prediction = 0.519295625814, rank prediction = 1396 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6181, atomId = 7186, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.523522469236, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11212, atomId = 14592, opReactId = 3087 rxnConditionsId= 1, smi = C1CCC2([CH2:1]C(=O)CCC2C1)O target = 1, prediction = 0.523701263629, rank prediction = 1401 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.527171875055, rank prediction = 1405 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16952, atomId = 4831, opReactId = 2009 rxnConditionsId= 1, smi = C(CC(=O)[OH:1])C=O target = 1, prediction = 0.55239328211, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.574736795276, rank prediction = 1438 isPredictedFilled = False, isPredictedUnfilled = True