Worst predictions : D4H10_un_e133_s7_lowestPos.txt

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.174311890202, rank prediction = 1289 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7936, atomId = 6169, opReactId = 2173 rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C target = 1, prediction = 0.217436440666, rank prediction = 1322 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.227293353541, rank prediction = 1329 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.332176725627, rank prediction = 1391 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 = 0.359890975445, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.378994228226, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.404956422757, rank prediction = 1432 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 = 0.439200252736, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.450051224991, rank prediction = 1457 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.46481522132, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14311, atomId = 13954, opReactId = 3041 rxnConditionsId= 1, smi = CCO[C:1](=O)CCCC=C([O-])OCC target = 1, prediction = 0.486535470211, rank prediction = 1474 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4483, atomId = 6342, opReactId = 2187 rxnConditionsId= 3, smi = CCOC(=O)CC(=[NH+:1]C)C target = 1, prediction = 0.489116915479, rank prediction = 1475 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11098, atomId = 7893, opReactId = 2365 rxnConditionsId= 1, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.505027975685, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8561, atomId = 8242, opReactId = 2405 rxnConditionsId= 3, smi = C[CH:1](C)C(CC(C(C)C)Br)Br target = 1, prediction = 0.546846823046, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.548742379214, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.569279394484, rank prediction = 1507 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6224, atomId = 7893, opReactId = 2365 rxnConditionsId= 3, smi = CCNC(=O)[CH3:1] target = 1, prediction = 0.587808245937, rank prediction = 1509 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14562, atomId = 1664, opReactId = 1562 rxnConditionsId= 1, smi = CC=CC1[CH:1]([Br+]1)C target = 1, prediction = 0.597095952813, rank prediction = 1514 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15407, atomId = 7445, opReactId = 2305 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1cccc(c1)Br target = 1, prediction = 0.603079400555, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7064, atomId = 5934, opReactId = 2147 rxnConditionsId= 3, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.629052777078, rank prediction = 1532 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4271, atomId = 9508, opReactId = 2538 rxnConditionsId= 1, smi = C(C[CH2:1]C=O)CC[O-] target = 1, prediction = 0.633252138735, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.635311850844, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5009, atomId = 4377, opReactId = 1927 rxnConditionsId= 1, smi = C[C:1]1=C[Br+]1 target = 1, prediction = 0.651174761944, rank prediction = 1540 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15406, atomId = 7446, opReactId = 2305 rxnConditionsId= 3, smi = C[C:1](=O)c1cccc(c1)Br target = 1, prediction = 0.657947515172, rank prediction = 1544 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5145, atomId = 2585, opReactId = 1760 rxnConditionsId= 1, smi = C=CC[CH2:1][OH2+] target = 1, prediction = 0.662724003706, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11212, atomId = 14592, opReactId = 3087 rxnConditionsId= 1, smi = C1CCC2([CH2:1]C(=O)CCC2C1)O target = 1, prediction = 0.667144323371, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2287, atomId = 9204, opReactId = 2520 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1F target = 1, prediction = 0.691873639724, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8606, atomId = 6377, opReactId = 2195 rxnConditionsId= 3, smi = [Li]O[C:1](c1ccccc1)(C2CCC3(CC2)OCCO3)OC target = 1, prediction = 0.697305879064, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15003, atomId = 5789, opReactId = 2126 rxnConditionsId= 3, smi = CC(=O)C[CH:1]=O target = 1, prediction = 0.706697765398, rank prediction = 1566 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9500, atomId = 5630, opReactId = 2091 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=O)C=[C:1]([O-])Cl target = 1, prediction = 0.720438594552, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True