Worst predictions : D4H10_un_e132_s1_lowestPos.txt

rAtomId = 16894, atomId = 10252, opReactId = 2668 rxnConditionsId= 3, smi = C1CCC(CC1)N=[C:1]=NC2CCCCC2 target = 1, prediction = 0.00326990648227, rank prediction = 581 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.182920504599, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12151, atomId = 12329, opReactId = 2875 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C)C(=O)OCC target = 1, prediction = 0.201861258577, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.258217936642, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.274805086345, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3476, atomId = 3328, opReactId = 1734 rxnConditionsId= 1, smi = [CH2:1]1C[OH+]1 target = 1, prediction = 0.275027569161, rank prediction = 1462 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.314503943548, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.325440214647, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8899, atomId = 8334, opReactId = 2362 rxnConditionsId= 6, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.331291999999, rank prediction = 1497 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10934, atomId = 1573, opReactId = 1471 rxnConditionsId= 8, smi = [CH3:1]C=[OH+] target = 1, prediction = 0.356076135065, rank prediction = 1511 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.358325643014, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.443335839698, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10714, atomId = 13784, opReactId = 3012 rxnConditionsId= 1, smi = [CH3:1][N+](=O)[O-] target = 1, prediction = 0.473063007224, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.480828811994, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.531775190127, rank prediction = 1587 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1126, atomId = 8366, opReactId = 2411 rxnConditionsId= 1, smi = CCO[C:1](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-] target = 1, prediction = 0.600576340383, rank prediction = 1616 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11372, atomId = 8334, opReactId = 2362 rxnConditionsId= 7, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.625830270811, rank prediction = 1623 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2305, atomId = 8873, opReactId = 2474 rxnConditionsId= 3, smi = CCOC(=O)C[CH2:1]Cl target = 1, prediction = 0.643214260491, rank prediction = 1629 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15716, atomId = 6721, opReactId = 2225 rxnConditionsId= 3, smi = [Li]O[C:1](CCC(=O)N(C)C)(c1ccccc1)OCC target = 1, prediction = 0.663373841041, rank prediction = 1639 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4993, atomId = 12447, opReactId = 2885 rxnConditionsId= 2, smi = [FH:1] target = 1, prediction = 0.666804214922, rank prediction = 1640 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6142, atomId = 8366, opReactId = 2411 rxnConditionsId= 3, smi = CCO[C:1](CCC(=O)N(C)C)(C(CC(=O)N(C)C)C(=O)OC)[O-] target = 1, prediction = 0.6989444318, rank prediction = 1648 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11428, atomId = 5772, opReactId = 2137 rxnConditionsId= 3, smi = C[CH2:1]CBr target = 1, prediction = 0.708824646985, rank prediction = 1651 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12740, atomId = 9481, opReactId = 2530 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.713923573608, rank prediction = 1652 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.714341996138, rank prediction = 1653 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18390, atomId = 12600, opReactId = 2904 rxnConditionsId= 1, smi = CC=[NH+:1]O target = 1, prediction = 0.766050253411, rank prediction = 1659 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10789, atomId = 14281, opReactId = 3080 rxnConditionsId= 1, smi = CCC([CH:1](C)C=O)O target = 1, prediction = 0.78036880665, rank prediction = 1662 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.782967669642, rank prediction = 1665 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12491, atomId = 2018, opReactId = 1711 rxnConditionsId= 1, smi = CC[CH:1]=[N+](C)C target = 1, prediction = 0.786561278534, rank prediction = 1667 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16952, atomId = 4831, opReactId = 2009 rxnConditionsId= 1, smi = C(CC(=O)[OH:1])C=O target = 1, prediction = 0.79052647001, rank prediction = 1669 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2589, atomId = 7486, opReactId = 2314 rxnConditionsId= 1, smi = CCOC(=O)C[C:1](C)([O-])OCC target = 1, prediction = 0.806871692148, rank prediction = 1672 isPredictedFilled = False, isPredictedUnfilled = True