Worst predictions : D4H20_fi_e134_s6_lowestPos.txt

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.0183993652878, rank prediction = 1194 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 = 0.0631427495116, rank prediction = 1354 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14095, atomId = 8077, opReactId = 2390 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)O target = 1, prediction = 0.0869047628089, rank prediction = 1382 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.208060017542, rank prediction = 1462 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.318648890228, rank prediction = 1496 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9738, atomId = 5618, opReactId = 2090 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.426555928304, rank prediction = 1516 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.446194985278, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15768, atomId = 11168, opReactId = 2756 rxnConditionsId= 1, smi = CC(C)[CH:1](CC(C(C)C)Cl)Cl target = 1, prediction = 0.460026327036, rank prediction = 1529 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4950, atomId = 3826, opReactId = 1905 rxnConditionsId= 1, smi = CCC#[N:1] target = 1, prediction = 0.504803373608, rank prediction = 1538 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.592693244526, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.633790926292, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.660239165893, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2462, atomId = 3826, opReactId = 1905 rxnConditionsId= 2, smi = CCC#[N:1] target = 1, prediction = 0.672011115603, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5462, atomId = 13330, opReactId = 2978 rxnConditionsId= 2, smi = [CH2:1]=CCCc1ccccc1 target = 1, prediction = 0.685687563872, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18539, atomId = 4985, opReactId = 2017 rxnConditionsId= 2, smi = [CH3:1]C1(CCC[CH+]1)C target = 1, prediction = 0.713325758394, rank prediction = 1584 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.714753610873, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11563, atomId = 8185, opReactId = 2396 rxnConditionsId= 3, smi = CC1CCCCC1(N2CCCC2)[OH:1] target = 1, prediction = 0.719687041256, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.725702274844, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5840, atomId = 5618, opReactId = 2090 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.73218678509, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.738633090903, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.747245020347, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7964, atomId = 2707, opReactId = 1770 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC[C+](C)C)C target = 1, prediction = 0.751762671635, rank prediction = 1594 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4005, atomId = 4411, opReactId = 1842 rxnConditionsId= 1, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.77519083085, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4004, atomId = 4413, opReactId = 1842 rxnConditionsId= 1, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.779450128416, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.832027720513, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7649, atomId = 4319, opReactId = 1880 rxnConditionsId= 1, smi = C[O:1]C(Cc1ccccc1)O target = 1, prediction = 0.868886330983, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14029, atomId = 4411, opReactId = 1842 rxnConditionsId= 2, smi = Cc1[cH:1]cccc1 target = 1, prediction = 0.873261538608, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14028, atomId = 4413, opReactId = 1842 rxnConditionsId= 2, smi = Cc1cc[cH:1]cc1 target = 1, prediction = 0.875847443063, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4549, atomId = 1808, opReactId = 1503 rxnConditionsId= 1, smi = C(CC[OH:1])CC=[OH+] target = 1, prediction = 0.892670487502, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14887, atomId = 3351, opReactId = 1831 rxnConditionsId= 1, smi = CC(C)[O:1]C(C)(C)Br target = 1, prediction = 0.899350233567, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False