Worst predictions : D4H10_un_e133_s2_lowestPos.txt

rAtomId = 15974, atomId = 9498, opReactId = 2534 rxnConditionsId= 1, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0139780406952, rank prediction = 947 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10805, atomId = 9498, opReactId = 2534 rxnConditionsId= 3, smi = c1cc[c:1](c(c1)[N+](=O)[O-])F target = 1, prediction = 0.0191727014751, rank prediction = 1008 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.0964268042247, rank prediction = 1271 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.147750823459, rank prediction = 1340 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 = 0.204118863967, rank prediction = 1385 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11189, atomId = 7186, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.305101855273, rank prediction = 1455 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 = 0.325475629652, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6865, atomId = 13669, opReactId = 2995 rxnConditionsId= 1, smi = CC(=O)[NH2:1] target = 1, prediction = 0.383668070614, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6181, atomId = 7186, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)C[C:1](=O)OC(=O)c2ccccc2 target = 1, prediction = 0.392980454771, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.416204495503, rank prediction = 1517 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13473, atomId = 7319, opReactId = 2309 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O target = 1, prediction = 0.424980219092, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16480, atomId = 14105, opReactId = 3053 rxnConditionsId= 1, smi = CCO[CH:1]=O target = 1, prediction = 0.434541689043, rank prediction = 1527 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.452326158697, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.502299968512, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.56844825481, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12311, atomId = 9103, opReactId = 2504 rxnConditionsId= 3, smi = c1ccc(cc1)C(=O)CC[CH:1]=O target = 1, prediction = 0.575669649913, rank prediction = 1579 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 = 0.64521767244, rank prediction = 1591 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12740, atomId = 9481, opReactId = 2530 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.671173827043, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8292, atomId = 12337, opReactId = 2892 rxnConditionsId= 1, smi = [NH3+:1]O target = 1, prediction = 0.719832621233, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11676, atomId = 1694, opReactId = 1559 rxnConditionsId= 1, smi = COC(=[OH+])C=[CH2:1] target = 1, prediction = 0.724025095065, rank prediction = 1604 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4517, atomId = 14194, opReactId = 3066 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.732245720269, rank prediction = 1607 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1782, atomId = 5984, opReactId = 2156 rxnConditionsId= 1, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.735380343622, rank prediction = 1608 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11182, atomId = 7189, opReactId = 2294 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=O)CC(=O)O[C:1](=O)c2ccccc2 target = 1, prediction = 0.755800263518, rank prediction = 1612 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6930, atomId = 5984, opReactId = 2156 rxnConditionsId= 3, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.770437376069, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15552, atomId = 4369, opReactId = 1936 rxnConditionsId= 2, smi = CCCNC(c1ccccc1C(=O)O)([OH2+:1])O target = 1, prediction = 0.793083033392, rank prediction = 1619 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11136, atomId = 3577, opReactId = 1851 rxnConditionsId= 1, smi = CCO[CH:1](CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.794073087108, rank prediction = 1621 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6170, atomId = 7189, opReactId = 2294 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=O)CC(=O)O[C:1](=O)c2ccccc2 target = 1, prediction = 0.807897891039, rank prediction = 1625 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1809, atomId = 7921, opReactId = 2375 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)CC#N target = 1, prediction = 0.817436624591, rank prediction = 1626 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5599, atomId = 11393, opReactId = 2775 rxnConditionsId= 6, smi = C1[CH:1](O1)CCCC[O-] target = 1, prediction = 0.824450079531, rank prediction = 1627 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8639, atomId = 4998, opReactId = 2002 rxnConditionsId= 1, smi = C(C=O)O[CH:1](CO)[OH2+] target = 1, prediction = 0.829919343431, rank prediction = 1631 isPredictedFilled = False, isPredictedUnfilled = True