Worst predictions : D4H10_un_e129_s8_lowestPos.txt

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.0303763037287, rank prediction = 1206 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.081371126775, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4989, atomId = 7853, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.0817616513571, rank prediction = 1404 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4612, atomId = 7853, opReactId = 2354 rxnConditionsId= 6, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.0904666405549, rank prediction = 1423 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17768, atomId = 7853, opReactId = 2354 rxnConditionsId= 3, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.113373870696, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4988, atomId = 7846, opReactId = 2354 rxnConditionsId= 1, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.118517190915, rank prediction = 1467 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4610, atomId = 7846, opReactId = 2354 rxnConditionsId= 6, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.131510750612, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17767, atomId = 7846, opReactId = 2354 rxnConditionsId= 3, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.162539684567, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12775, atomId = 8293, opReactId = 2407 rxnConditionsId= 1, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.226584861681, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7503, atomId = 7853, opReactId = 2354 rxnConditionsId= 7, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.276927199478, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17790, atomId = 8293, opReactId = 2407 rxnConditionsId= 3, smi = CN(C)C(=O)C[CH2:1]C(=O)OC target = 1, prediction = 0.29154514932, rank prediction = 1605 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 = 0.302180795918, rank prediction = 1611 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16480, atomId = 14105, opReactId = 3053 rxnConditionsId= 1, smi = CCO[CH:1]=O target = 1, prediction = 0.315819568422, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11813, atomId = 15289, opReactId = 3165 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC(=O)OC[CH:1]3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.33473163262, rank prediction = 1624 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7502, atomId = 7846, opReactId = 2354 rxnConditionsId= 7, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.364962034234, rank prediction = 1637 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10587, atomId = 10376, opReactId = 2683 rxnConditionsId= 3, smi = CC=CC1CCC[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.390883251022, rank prediction = 1650 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 = 0.39766224213, rank prediction = 1651 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3499, atomId = 15215, opReactId = 3158 rxnConditionsId= 3, smi = c1cc[nH+:1]cc1 target = 1, prediction = 0.435966557063, rank prediction = 1669 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.436149891748, rank prediction = 1670 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134 rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.486652897405, rank prediction = 1693 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2457, atomId = 2189, opReactId = 1538 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.533479528167, rank prediction = 1708 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8815, atomId = 14371, opReactId = 3084 rxnConditionsId= 1, smi = C=C(CCC1CCCC[C:1]1=O)[O-] target = 1, prediction = 0.574047980485, rank prediction = 1724 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134 rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.574965830831, rank prediction = 1725 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14975, atomId = 2189, opReactId = 1538 rxnConditionsId= 3, smi = [CH3:1]C(=O)CCC=O target = 1, prediction = 0.596211669014, rank prediction = 1730 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.622724839607, rank prediction = 1741 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13955, atomId = 14482, opReactId = 3090 rxnConditionsId= 1, smi = CC(C)C(=O)[CH:1](c1ccccc1)C(Cc2ccccc2)(C(C)C)O target = 1, prediction = 0.635321613042, rank prediction = 1745 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5049, atomId = 5501, opReactId = 2077 rxnConditionsId= 6, smi = CC=CC1CCC[CH2:1]C1Br target = 1, prediction = 0.640481474316, rank prediction = 1747 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158 rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.658107563592, rank prediction = 1755 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15189, atomId = 6135, opReactId = 2169 rxnConditionsId= 1, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.664426496371, rank prediction = 1757 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10584, atomId = 10372, opReactId = 2683 rxnConditionsId= 3, smi = CC=C[CH:1]1CCCC(C1[N+](C)(C)C)C target = 1, prediction = 0.666495701676, rank prediction = 1758 isPredictedFilled = False, isPredictedUnfilled = True