Worst predictions : D4H20_un_e125_s2_lowestPos.txt

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.111453537163, rank prediction = 1279 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2364, atomId = 14508, opReactId = 3101 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCCC(=O)OCC target = 1, prediction = 0.218186618239, rank prediction = 1376 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 = 0.223259468192, rank prediction = 1378 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.264796815798, rank prediction = 1412 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.287112381306, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.288944937856, rank prediction = 1426 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10587, atomId = 10376, opReactId = 2683 rxnConditionsId= 3, smi = CC=CC1CCC[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.316607593352, rank prediction = 1445 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.332246615733, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3725, atomId = 14249, opReactId = 3068 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCCC(=O)C target = 1, prediction = 0.387028231081, rank prediction = 1476 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.398909669619, rank prediction = 1480 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.443811325952, rank prediction = 1507 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.457535193908, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9990, atomId = 13740, opReactId = 3005 rxnConditionsId= 1, smi = CCOC(=O)C=[CH2:1] target = 1, prediction = 0.503988953846, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10584, atomId = 10372, opReactId = 2683 rxnConditionsId= 3, smi = CC=C[CH:1]1CCCC(C1[N+](C)(C)C)C target = 1, prediction = 0.532248212703, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.562713656289, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14975, atomId = 2189, opReactId = 1538 rxnConditionsId= 3, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.574752454727, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.620671801427, rank prediction = 1583 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8419, atomId = 13679, opReactId = 3000 rxnConditionsId= 1, smi = CC([CH2:1]C=O)O target = 1, prediction = 0.672415678368, rank prediction = 1596 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6849, atomId = 3913, opReactId = 1917 rxnConditionsId= 1, smi = CC[C:1](=O)C target = 1, prediction = 0.694496827725, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2454, atomId = 2200, opReactId = 1538 rxnConditionsId= 1, smi = CC(=O)CC[CH:1]=O target = 1, prediction = 0.697445015119, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6861, atomId = 3912, opReactId = 1917 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C target = 1, prediction = 0.739297849874, rank prediction = 1613 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11987, atomId = 6270, opReactId = 2181 rxnConditionsId= 1, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.73960083379, rank prediction = 1614 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14972, atomId = 2200, opReactId = 1538 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=O target = 1, prediction = 0.754735196727, rank prediction = 1619 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7076, atomId = 1789, opReactId = 1524 rxnConditionsId= 1, smi = CCO[C:1](C)([OH2+])O target = 1, prediction = 0.755943921691, rank prediction = 1620 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.75912488381, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1927, atomId = 3913, opReactId = 1917 rxnConditionsId= 3, smi = CC[C:1](=O)C target = 1, prediction = 0.75940437084, rank prediction = 1623 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17117, atomId = 6270, opReactId = 2181 rxnConditionsId= 6, smi = C([CH2:1]Br)[O-] target = 1, prediction = 0.764242686432, rank prediction = 1626 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13331, atomId = 8339, opReactId = 2361 rxnConditionsId= 1, smi = CC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.790765223404, rank prediction = 1630 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13967, atomId = 2540, opReactId = 1752 rxnConditionsId= 6, smi = [OH2:1] target = 1, prediction = 0.792941782853, rank prediction = 1631 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1933, atomId = 3912, opReactId = 1917 rxnConditionsId= 3, smi = C[CH2:1]C(=O)C target = 1, prediction = 0.80164981326, rank prediction = 1633 isPredictedFilled = False, isPredictedUnfilled = True