Worst predictions : D4H10_fi_e131_s6_lowestPos.txt

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.0823906566152, rank prediction = 1284 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9721, atomId = 6958, opReactId = 2258 rxnConditionsId= 3, smi = CCOC1([CH:1]=C[C-](C=C1)[N+](=O)[O-])I target = 1, prediction = 0.134255509426, rank prediction = 1338 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.285585858541, rank prediction = 1416 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.52562858062, rank prediction = 1505 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3743, atomId = 2451, opReactId = 1543 rxnConditionsId= 1, smi = C[CH+]C([CH3:1])(C)C target = 1, prediction = 0.547892851176, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2667, atomId = 12147, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2 target = 1, prediction = 0.571559492283, rank prediction = 1517 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8386, atomId = 5240, opReactId = 2036 rxnConditionsId= 2, smi = CC=C[CH:1](C)[OH2+] target = 1, prediction = 0.593831055, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 9738, atomId = 5618, opReactId = 2090 rxnConditionsId= 7, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.618926610905, rank prediction = 1536 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.68158568451, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.72138460082, rank prediction = 1553 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8009, atomId = 4015, opReactId = 1915 rxnConditionsId= 1, smi = COC(=O)C1CCC(=[O+]CC[OH:1])CC1 target = 1, prediction = 0.733994768926, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.786807554757, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14574, atomId = 1026, opReactId = 1513 rxnConditionsId= 1, smi = C[C:1]#CC target = 1, prediction = 0.791069964937, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.801488275953, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.807261369509, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6953, atomId = 13455, opReactId = 2961 rxnConditionsId= 2, smi = CC[O:1]C(C(Cc1ccccc1)NC(=O)C)(O)O target = 1, prediction = 0.80906331813, rank prediction = 1569 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.810646563601, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.811973866778, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7649, atomId = 4319, opReactId = 1880 rxnConditionsId= 1, smi = C[O:1]C(Cc1ccccc1)O target = 1, prediction = 0.820759526024, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5840, atomId = 5618, opReactId = 2090 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=[CH:1]C(=O)Cl)[O-] target = 1, prediction = 0.835517007754, rank prediction = 1576 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14825, atomId = 4453, opReactId = 1948 rxnConditionsId= 1, smi = c1c[cH:1]c2ccccc2c1 target = 1, prediction = 0.879089619587, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.883017922186, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2320, atomId = 10482, opReactId = 2681 rxnConditionsId= 3, smi = C1CCC(CC1)NC(=O)[N-:1]C2CCCCC2 target = 1, prediction = 0.883628686008, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2663, atomId = 12142, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2[cH:1]cccc2 target = 1, prediction = 0.905810525335, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16541, atomId = 6533, opReactId = 2217 rxnConditionsId= 1, smi = CCC(O)[O:1]C target = 1, prediction = 0.909597388414, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16502, atomId = 2665, opReactId = 1719 rxnConditionsId= 1, smi = CCC([NH2+]CC)[N:1](C)C target = 1, prediction = 0.912120418831, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17428, atomId = 1450, opReactId = 1488 rxnConditionsId= 1, smi = CC(C)CC[OH:1] target = 1, prediction = 0.912906300642, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4419, atomId = 2097, opReactId = 1732 rxnConditionsId= 1, smi = CC1(C[O:1]1)C target = 1, prediction = 0.914670948745, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10141, atomId = 2901, opReactId = 1782 rxnConditionsId= 1, smi = CC(C)([OH2+])[O:1]CCO target = 1, prediction = 0.914808684837, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5196, atomId = 3077, opReactId = 1702 rxnConditionsId= 1, smi = Cc1ccc2ccccc2[cH:1]1 target = 1, prediction = 0.921000774389, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False