Worst predictions : D4H10_un_e126_s0_lowestPos.txt

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.00216195171353, rank prediction = 523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.00344368477389, rank prediction = 636 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5340, atomId = 5896, opReactId = 2142 rxnConditionsId= 3, smi = c1ccc(cc1)[N+]#[N:1] target = 1, prediction = 0.192022464471, rank prediction = 1289 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2364, atomId = 14508, opReactId = 3101 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCCC(=O)OCC target = 1, prediction = 0.221062778882, rank prediction = 1322 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.283188379427, rank prediction = 1355 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12260, atomId = 1876, opReactId = 1704 rxnConditionsId= 1, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.314843626677, rank prediction = 1369 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.346215013926, rank prediction = 1385 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8899, atomId = 8334, opReactId = 2362 rxnConditionsId= 6, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.366506434277, rank prediction = 1393 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.377392135809, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12178, atomId = 14108, opReactId = 3054 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CCC1(CCCCC1=O)C target = 1, prediction = 0.396002293784, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17649, atomId = 1876, opReactId = 1704 rxnConditionsId= 3, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.416042438579, rank prediction = 1420 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11639, atomId = 10513, opReactId = 2674 rxnConditionsId= 3, smi = CCC([CH3:1])(C)[N+](C)(C)C target = 1, prediction = 0.425695644151, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158 rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.442386310369, rank prediction = 1437 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.477994054697, rank prediction = 1449 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 = 0.485639699312, rank prediction = 1453 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12419, atomId = 14674, opReactId = 3113 rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-] target = 1, prediction = 0.487857548335, rank prediction = 1455 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.503271120487, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13450, atomId = 6075, opReactId = 2158 rxnConditionsId= 3, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.525241167674, rank prediction = 1478 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6922, atomId = 9247, opReactId = 2517 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1Cl target = 1, prediction = 0.599449165782, rank prediction = 1498 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12259, atomId = 1873, opReactId = 1704 rxnConditionsId= 1, smi = CCO[C:1](=O)C target = 1, prediction = 0.64337459519, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4046, atomId = 9811, opReactId = 2578 rxnConditionsId= 1, smi = C[CH2:1]C(=O)N(C)C target = 1, prediction = 0.646198600514, rank prediction = 1519 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11372, atomId = 8334, opReactId = 2362 rxnConditionsId= 7, smi = CC1C=CC[CH2:1]C1Br target = 1, prediction = 0.680539492404, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.690218334527, rank prediction = 1530 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17928, atomId = 7149, opReactId = 2274 rxnConditionsId= 3, smi = C[C:1](C=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.697013771752, rank prediction = 1533 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7695, atomId = 2015, opReactId = 1551 rxnConditionsId= 1, smi = CC(=C)[OH:1] target = 1, prediction = 0.701760652564, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11474, atomId = 5884, opReactId = 2140 rxnConditionsId= 1, smi = CNC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.731617989976, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15525, atomId = 14974, opReactId = 3132 rxnConditionsId= 1, smi = COc1cccc(c1)CCCC(=O)C=[CH2:1] target = 1, prediction = 0.734654204674, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17647, atomId = 1873, opReactId = 1704 rxnConditionsId= 3, smi = CCO[C:1](=O)C target = 1, prediction = 0.745892644789, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6911, atomId = 9248, opReactId = 2517 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1Cl target = 1, prediction = 0.762723232377, rank prediction = 1548 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.764423308362, rank prediction = 1549 isPredictedFilled = False, isPredictedUnfilled = True