Worst predictions : D4H10_un_e127_s2_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.0109757570895, rank prediction = 960 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17016, atomId = 10739, opReactId = 2703 rxnConditionsId= 3, smi = C[CH:1]1CC=CC(C1[N+](C)(C)C)C target = 1, prediction = 0.132045755222, rank prediction = 1432 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 = 0.147975281088, rank prediction = 1449 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14775, atomId = 5150, opReactId = 2040 rxnConditionsId= 2, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.17438488273, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.193111929119, rank prediction = 1495 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 = 0.213620556538, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10406, atomId = 7260, opReactId = 2287 rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.231613232996, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12035, atomId = 5150, opReactId = 2040 rxnConditionsId= 1, smi = C1CC[C:1]2=[NH+]CCCC2C1 target = 1, prediction = 0.300143859474, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.314330039027, rank prediction = 1581 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15597, atomId = 7260, opReactId = 2287 rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.316934885522, rank prediction = 1583 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.331162788575, rank prediction = 1598 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.337451983014, rank prediction = 1602 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.371681518619, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134 rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.375817360578, rank prediction = 1621 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11760, atomId = 7124, opReactId = 2270 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccc(cc1)I)(c2ccc(cc2)I)O target = 1, prediction = 0.376290507334, rank prediction = 1622 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.391482145028, rank prediction = 1626 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.439399900814, rank prediction = 1649 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17573, atomId = 6711, opReactId = 2224 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.443989757924, rank prediction = 1651 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7132, atomId = 11984, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)[C:1](=[OH+])OCc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.444428276744, rank prediction = 1653 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14656, atomId = 5578, opReactId = 2101 rxnConditionsId= 7, smi = [CH3:1]c1ccncc1 target = 1, prediction = 0.455048764091, rank prediction = 1659 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.46054335013, rank prediction = 1661 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.468895749673, rank prediction = 1664 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134 rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.478433242142, rank prediction = 1671 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11263, atomId = 11311, opReactId = 2778 rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1] target = 1, prediction = 0.493043447863, rank prediction = 1678 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.496470231954, rank prediction = 1679 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15678, atomId = 11727, opReactId = 2833 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH2+:1]C([O-])(OCC3c4ccccc4-c5c3cccc5)ON6C(=O)CCC6=O target = 1, prediction = 0.520533585344, rank prediction = 1691 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.521221575325, rank prediction = 1692 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4845, atomId = 6711, opReactId = 2224 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.563778423274, rank prediction = 1704 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6659, atomId = 3667, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.573470320375, rank prediction = 1708 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 = 0.591143187447, rank prediction = 1715 isPredictedFilled = False, isPredictedUnfilled = True