Worst predictions : D4H10_un_e130_s7_lowestPos.txt

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.00706500074929, rank prediction = 674 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.0535246681246, rank prediction = 1053 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4989, atomId = 7853, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.0560605031757, rank prediction = 1062 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4612, atomId = 7853, opReactId = 2354 rxnConditionsId= 6, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.0657086019929, rank prediction = 1097 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17768, atomId = 7853, opReactId = 2354 rxnConditionsId= 3, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.0831662041945, rank prediction = 1137 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.0838120995062, rank prediction = 1138 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4988, atomId = 7846, opReactId = 2354 rxnConditionsId= 1, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.0861750705931, rank prediction = 1145 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4610, atomId = 7846, opReactId = 2354 rxnConditionsId= 6, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.10072113609, rank prediction = 1175 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17767, atomId = 7846, opReactId = 2354 rxnConditionsId= 3, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.126137667646, rank prediction = 1214 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7503, atomId = 7853, opReactId = 2354 rxnConditionsId= 7, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.214242966546, rank prediction = 1273 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.256507792724, rank prediction = 1289 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7502, atomId = 7846, opReactId = 2354 rxnConditionsId= 7, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.301484372187, rank prediction = 1313 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.337391061199, rank prediction = 1333 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.392049290793, rank prediction = 1364 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 = 0.396994749613, rank prediction = 1367 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.399611983932, rank prediction = 1368 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7782, atomId = 9887, opReactId = 2586 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br target = 1, prediction = 0.403458076948, rank prediction = 1370 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 = 0.456896704854, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.524200180478, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2444, atomId = 11423, opReactId = 2792 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O target = 1, prediction = 0.530242916692, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17585, atomId = 9817, opReactId = 2579 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccn1 target = 1, prediction = 0.549187002483, rank prediction = 1444 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.568183587878, rank prediction = 1450 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.60146723931, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.631224929848, rank prediction = 1480 isPredictedFilled = False, 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 = 0.657796849464, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6849, atomId = 3913, opReactId = 1917 rxnConditionsId= 1, smi = CC[C:1](=O)C target = 1, prediction = 0.668017842467, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10922, atomId = 4207, opReactId = 1860 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)CC1 target = 1, prediction = 0.672038814463, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11638, atomId = 5801, opReactId = 2131 rxnConditionsId= 1, smi = C[CH:1](C)CBr target = 1, prediction = 0.676968447494, rank prediction = 1498 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 = 0.689366057542, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2289, atomId = 9203, opReactId = 2520 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1F target = 1, prediction = 0.691659552745, rank prediction = 1504 isPredictedFilled = False, isPredictedUnfilled = True