Worst predictions : D4H0_fi_e126_s9_lowestPos.txt

rAtomId = 7123, atomId = 11986, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.00590863431928, rank prediction = 284 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.119149213343, rank prediction = 1269 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9501, atomId = 5631, opReactId = 2091 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.214887843897, rank prediction = 1411 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3743, atomId = 2451, opReactId = 1543 rxnConditionsId= 1, smi = C[CH+]C([CH3:1])(C)C target = 1, prediction = 0.292608561973, rank prediction = 1474 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.314164968737, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12623, atomId = 2623, opReactId = 1748 rxnConditionsId= 1, smi = C[C:1](=CCC[C+](C)C)C target = 1, prediction = 0.340724178741, rank prediction = 1515 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.362880867133, rank prediction = 1528 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10744, atomId = 8263, opReactId = 2401 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N target = 1, prediction = 0.368205499407, rank prediction = 1530 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.395712062426, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14965, atomId = 8774, opReactId = 2462 rxnConditionsId= 1, smi = CC(c1ccccc1)[CH:1](C)Br target = 1, prediction = 0.409102691461, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9642, atomId = 5890, opReactId = 2141 rxnConditionsId= 3, smi = COc1cc[cH:1]cc1 target = 1, prediction = 0.456804795923, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.464989581646, rank prediction = 1594 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.487631007494, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.490385287342, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4630, atomId = 10429, opReactId = 2679 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCC[NH2:1] target = 1, prediction = 0.492250468372, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.508868112453, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.51009791953, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2520, atomId = 2333, opReactId = 1603 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.5261467029, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.58444429459, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16642, atomId = 3935, opReactId = 1901 rxnConditionsId= 1, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.58687695165, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11215, atomId = 12431, opReactId = 2889 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)OC(=O)Cl target = 1, prediction = 0.606123351424, rank prediction = 1656 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10132, atomId = 2333, opReactId = 1603 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.618736956393, rank prediction = 1658 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.640581520182, rank prediction = 1668 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.653225841253, rank prediction = 1672 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15044, atomId = 3091, opReactId = 1794 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1Br target = 1, prediction = 0.672888672738, rank prediction = 1680 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14202, atomId = 3935, opReactId = 1901 rxnConditionsId= 2, smi = c1ccc2c(c1)[cH:1]ccc2Br target = 1, prediction = 0.67493211528, rank prediction = 1682 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.69511698981, rank prediction = 1690 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.697305811849, rank prediction = 1691 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14351, atomId = 10787, opReactId = 2714 rxnConditionsId= 1, smi = CC(C)[CH:1](CC=C(C)C)Cl target = 1, prediction = 0.704803120822, rank prediction = 1693 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.720428299761, rank prediction = 1696 isPredictedFilled = True, isPredictedUnfilled = False