Worst predictions : D4H10_un_e126_s6_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.00500202313021, rank prediction = 690 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.0120133433673, rank prediction = 869 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.0139684637438, rank prediction = 897 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.015088220813, rank prediction = 922 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.0213068838681, rank prediction = 996 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.02599574622, rank prediction = 1033 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.0260710194649, rank prediction = 1034 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.0282084227923, rank prediction = 1046 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.0804625965583, rank prediction = 1246 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3584, atomId = 15042, opReactId = 3136 rxnConditionsId= 1, smi = CC1(C(=O)CCC1=O)CCC(=O)[CH2:1]CCc2cccc(c2)OC target = 1, prediction = 0.145491172445, rank prediction = 1313 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.15963672579, rank prediction = 1339 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10696, atomId = 5815, opReactId = 2133 rxnConditionsId= 1, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.165272326688, rank prediction = 1344 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5713, atomId = 5815, opReactId = 2133 rxnConditionsId= 3, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.227354683429, rank prediction = 1386 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.248464435222, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.249663372166, rank prediction = 1399 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10702, atomId = 5823, opReactId = 2133 rxnConditionsId= 1, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.255657031576, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.269718615415, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.314281588738, rank prediction = 1433 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5717, atomId = 5823, opReactId = 2133 rxnConditionsId= 3, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.335404160852, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.33618664374, rank prediction = 1451 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16546, atomId = 8556, opReactId = 2439 rxnConditionsId= 6, smi = c1cc([cH:1]nc1)Cl target = 1, prediction = 0.386208777032, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.39377844524, rank prediction = 1472 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1360, atomId = 14544, opReactId = 3103 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCCC=C([O-])OCC target = 1, prediction = 0.398560953373, rank prediction = 1476 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.405010622199, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.416873443016, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.421254548537, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.426249197227, rank prediction = 1496 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.479473695378, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True

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 = 0.494887864386, rank prediction = 1515 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 = 0.49532454233, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True