Worst predictions : D4H10_fi_e127_s2_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 = 0.0153404905357, rank prediction = 1296 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6742, atomId = 3914, opReactId = 1917 rxnConditionsId= 8, smi = CCC(=[O:1])C target = 1, prediction = 0.0680549599647, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.0768718740373, rank prediction = 1514 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12228, atomId = 9181, opReactId = 2511 rxnConditionsId= 3, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.145214118248, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7735, atomId = 3734, opReactId = 1813 rxnConditionsId= 1, smi = CC(=[O:1])C=C target = 1, prediction = 0.267789461292, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6910, atomId = 9181, opReactId = 2511 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=[N:1]C2=O)[O-] target = 1, prediction = 0.282977198341, rank prediction = 1650 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.328416007044, rank prediction = 1675 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.363989154637, rank prediction = 1686 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2520, atomId = 2333, opReactId = 1603 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.593144766696, rank prediction = 1755 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.613569361017, rank prediction = 1763 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2239, atomId = 15390, opReactId = 3175 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+]2)[O-:1] target = 1, prediction = 0.618346824974, rank prediction = 1766 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.632252546334, rank prediction = 1771 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.643061232925, rank prediction = 1773 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14520, atomId = 13190, opReactId = 2949 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.661274999612, rank prediction = 1781 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10132, atomId = 2333, opReactId = 1603 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1 target = 1, prediction = 0.726084866902, rank prediction = 1794 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17977, atomId = 15352, opReactId = 3169 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.745132390623, rank prediction = 1797 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15935, atomId = 1463, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.753740133818, rank prediction = 1798 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15931, atomId = 1453, opReactId = 1520 rxnConditionsId= 1, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.758213879396, rank prediction = 1800 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.758928070293, rank prediction = 1801 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15930, atomId = 1459, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.759168401447, rank prediction = 1802 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.771242748674, rank prediction = 1805 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5274, atomId = 2507, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.775008276655, rank prediction = 1806 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4438, atomId = 2532, opReactId = 1615 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.785032478089, rank prediction = 1808 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.816459994283, rank prediction = 1818 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18352, atomId = 1463, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.843952749504, rank prediction = 1826 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18340, atomId = 1453, opReactId = 1520 rxnConditionsId= 2, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.845211553282, rank prediction = 1827 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18333, atomId = 1459, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.848067521032, rank prediction = 1829 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.85787953003, rank prediction = 1831 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15261, atomId = 2507, opReactId = 1622 rxnConditionsId= 2, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.858229235102, rank prediction = 1832 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5674, atomId = 2192, opReactId = 1539 rxnConditionsId= 1, smi = CC[NH:1]C(CCC(=O)C)[OH2+] target = 1, prediction = 0.858283981681, rank prediction = 1833 isPredictedFilled = True, isPredictedUnfilled = False