Worst predictions : D4H20_fi_e132_s0_lowestPos.txt

rAtomId = 6693, atomId = 5631, opReactId = 2091 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=O)C=C([O-:1])Cl target = 1, prediction = 0.0145604308218, rank prediction = 1123 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 = 0.0610755414895, rank prediction = 1304 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.14898650238, rank prediction = 1424 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4011, atomId = 12111, opReactId = 2840 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)N target = 1, prediction = 0.18720828109, rank prediction = 1443 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6614, atomId = 1406, opReactId = 1596 rxnConditionsId= 8, smi = CC=[O:1] target = 1, prediction = 0.219877997144, rank prediction = 1461 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13791, atomId = 10474, opReactId = 2677 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=NC2CCCCC2)OC(=O)CCCC[NH2:1] target = 1, prediction = 0.274508593301, rank prediction = 1490 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.29480086965, rank prediction = 1498 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 = 0.472455667143, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9642, atomId = 5890, opReactId = 2141 rxnConditionsId= 3, smi = COc1cc[cH:1]cc1 target = 1, prediction = 0.521855376617, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.572266071902, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16817, atomId = 4721, opReactId = 1981 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C=O target = 1, prediction = 0.576945958664, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.585153196714, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6154, atomId = 12803, opReactId = 2942 rxnConditionsId= 2, smi = [CH2:1]=CCCOc1ccccc1 target = 1, prediction = 0.596753337499, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.615353888378, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17579, atomId = 4706, opReactId = 1979 rxnConditionsId= 1, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.647269816068, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.720826374133, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3935, atomId = 1849, opReactId = 1580 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)[OH2+] target = 1, prediction = 0.728210562696, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.728257251424, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.74722278124, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5858, atomId = 10896, opReactId = 2735 rxnConditionsId= 1, smi = CCC1CCC[CH:1]([CH+]1)C target = 1, prediction = 0.756298315654, rank prediction = 1624 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4438, atomId = 2532, opReactId = 1615 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.766919658148, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7477, atomId = 4706, opReactId = 1979 rxnConditionsId= 2, smi = C[CH+]CCc1[cH:1]cccc1 target = 1, prediction = 0.796869705053, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.8022533346, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5848, atomId = 10891, opReactId = 2735 rxnConditionsId= 1, smi = CC[CH:1]1CCCC([CH+]1)C target = 1, prediction = 0.811156568655, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11423, atomId = 7884, opReactId = 2359 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=C[N-]C target = 1, prediction = 0.812095398485, rank prediction = 1642 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4883, atomId = 11464, opReactId = 2795 rxnConditionsId= 6, smi = [C-:1]#CCO target = 1, prediction = 0.834461763467, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13669, atomId = 2371, opReactId = 1654 rxnConditionsId= 2, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.837694671638, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7054, atomId = 12394, opReactId = 2881 rxnConditionsId= 2, smi = c1ccc2c([cH:1]1)cccc2[N+](=O)[O-] target = 1, prediction = 0.857194184115, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3925, atomId = 9136, opReactId = 2488 rxnConditionsId= 3, smi = CC(=O)CCC=C=[N-:1] target = 1, prediction = 0.869055570239, rank prediction = 1654 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.870881487355, rank prediction = 1657 isPredictedFilled = True, isPredictedUnfilled = False