Worst predictions : D4H10_un_e134_s2_lowestPos.txt

rAtomId = 1411, atomId = 6959, opReactId = 2257 rxnConditionsId= 1, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0168056326721, rank prediction = 901 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13933, atomId = 6959, opReactId = 2257 rxnConditionsId= 3, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0278877763454, rank prediction = 991 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0334431998406, rank prediction = 1024 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.0697133447134, rank prediction = 1148 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7936, atomId = 6169, opReactId = 2173 rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C target = 1, prediction = 0.156161647871, rank prediction = 1267 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2364, atomId = 14508, opReactId = 3101 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCCC(=O)OCC target = 1, prediction = 0.177779533654, rank prediction = 1281 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242 rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.222817006644, rank prediction = 1306 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.279263338455, rank prediction = 1335 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242 rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.300557062001, rank prediction = 1347 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8379, atomId = 7840, opReactId = 2355 rxnConditionsId= 6, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.308364938805, rank prediction = 1350 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.437493801786, rank prediction = 1416 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.464068785418, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11263, atomId = 11311, opReactId = 2778 rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1] target = 1, prediction = 0.480067239807, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10579, atomId = 9921, opReactId = 2592 rxnConditionsId= 7, smi = [CH3:1]C(=NC)C target = 1, prediction = 0.521226698309, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7782, atomId = 9887, opReactId = 2586 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br target = 1, prediction = 0.532813400101, rank prediction = 1456 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.561510632012, rank prediction = 1462 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.589200519383, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6046, atomId = 7840, opReactId = 2355 rxnConditionsId= 7, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.611145027703, rank prediction = 1470 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3011, atomId = 11118, opReactId = 2753 rxnConditionsId= 1, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.633011836392, rank prediction = 1476 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10923, atomId = 4209, opReactId = 1860 rxnConditionsId= 1, smi = C1CC[C:1](=O)CC1 target = 1, prediction = 0.633840790475, rank prediction = 1477 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6608, atomId = 6402, opReactId = 2199 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)C2CCC3(CC2)OCCO3 target = 1, prediction = 0.638281117074, rank prediction = 1479 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16790, atomId = 13062, opReactId = 2945 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C([OH2+:1])(O)OCC)NC(=O)C target = 1, prediction = 0.645802787455, rank prediction = 1482 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11148, atomId = 11118, opReactId = 2753 rxnConditionsId= 6, smi = [CH2:1](C#N)[O-] target = 1, prediction = 0.650887040769, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10458, atomId = 3344, opReactId = 1699 rxnConditionsId= 1, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.668840578946, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5009, atomId = 4377, opReactId = 1927 rxnConditionsId= 1, smi = C[C:1]1=C[Br+]1 target = 1, prediction = 0.670208322607, rank prediction = 1491 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10990, atomId = 10945, opReactId = 2738 rxnConditionsId= 1, smi = C[CH2:1][C+]1CCCC(C1)C target = 1, prediction = 0.696934168739, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1751, atomId = 7541, opReactId = 2313 rxnConditionsId= 3, smi = CC(=O)CC[CH:1](C#N)[O-] target = 1, prediction = 0.710626951371, rank prediction = 1503 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.723116868814, rank prediction = 1507 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16545, atomId = 8554, opReactId = 2439 rxnConditionsId= 6, smi = c1[cH:1]c(cnc1)Cl target = 1, prediction = 0.73013788019, rank prediction = 1512 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10627, atomId = 5408, opReactId = 2068 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(=[OH+:1])CC3)O target = 1, prediction = 0.733940245578, rank prediction = 1513 isPredictedFilled = False, isPredictedUnfilled = True