Worst predictions : D4H0_un_e131_s1_lowestPos.txt

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0403464917437, rank prediction = 768 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10934, atomId = 1573, opReactId = 1471 rxnConditionsId= 8, smi = [CH3:1]C=[OH+] target = 1, prediction = 0.0801553403628, rank prediction = 974 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.280538999788, rank prediction = 1336 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.298732421052, rank prediction = 1348 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5009, atomId = 4377, opReactId = 1927 rxnConditionsId= 1, smi = C[C:1]1=C[Br+]1 target = 1, prediction = 0.362622269011, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.418753496292, rank prediction = 1433 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.421492898106, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5167, atomId = 6602, opReactId = 2222 rxnConditionsId= 3, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.508277842347, rank prediction = 1484 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12186, atomId = 13683, opReactId = 3001 rxnConditionsId= 1, smi = C[CH:1](C=C[O-])O target = 1, prediction = 0.551865808292, rank prediction = 1505 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16406, atomId = 9942, opReactId = 2593 rxnConditionsId= 1, smi = C[CH2:1]C(=O)NC target = 1, prediction = 0.564117552317, rank prediction = 1512 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 = 0.575197776786, rank prediction = 1521 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.586044508893, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.593243944391, rank prediction = 1528 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3771, atomId = 15010, opReactId = 3078 rxnConditionsId= 1, smi = C[CH:1](C(=C[O-])C)O target = 1, prediction = 0.595887906999, rank prediction = 1530 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7684, atomId = 10963, opReactId = 2731 rxnConditionsId= 1, smi = C[CH2:1][CH+]C target = 1, prediction = 0.603694752517, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8440, atomId = 6419, opReactId = 2201 rxnConditionsId= 1, smi = C1CC(=C[CH:1]1O)[O-] target = 1, prediction = 0.621090085054, rank prediction = 1544 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15189, atomId = 6135, opReactId = 2169 rxnConditionsId= 1, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.621693762561, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10714, atomId = 13784, opReactId = 3012 rxnConditionsId= 1, smi = [CH3:1][N+](=O)[O-] target = 1, prediction = 0.630057261141, rank prediction = 1549 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6266, atomId = 13747, opReactId = 3025 rxnConditionsId= 1, smi = C[CH:1](C1=C(CCC1)[O-])O target = 1, prediction = 0.632076050288, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4046, atomId = 9811, opReactId = 2578 rxnConditionsId= 1, smi = C[CH2:1]C(=O)N(C)C target = 1, prediction = 0.639922644533, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4725, atomId = 8393, opReactId = 2434 rxnConditionsId= 1, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.640661911138, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.655846923905, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12699, atomId = 5759, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=CC#[C:1]1 target = 1, prediction = 0.662403011388, rank prediction = 1560 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11462, atomId = 7043, opReactId = 2279 rxnConditionsId= 3, smi = C[C:1](=O)OC target = 1, prediction = 0.667610971772, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17258, atomId = 13903, opReactId = 3023 rxnConditionsId= 1, smi = c1ccc(cc1)[CH:1](C=C[O-])O target = 1, prediction = 0.671505879974, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2519, atomId = 6134, opReactId = 2169 rxnConditionsId= 7, smi = [CH3:1]C(=O)Cc1ccccc1 target = 1, prediction = 0.677647416648, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1272, atomId = 7042, opReactId = 2279 rxnConditionsId= 7, smi = [CH3:1]C(=O)OC target = 1, prediction = 0.686342392139, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3405, atomId = 6419, opReactId = 2201 rxnConditionsId= 3, smi = C1CC(=C[CH:1]1O)[O-] target = 1, prediction = 0.699294363556, rank prediction = 1585 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10078, atomId = 6135, opReactId = 2169 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.699833661683, rank prediction = 1586 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17738, atomId = 8251, opReactId = 2413 rxnConditionsId= 1, smi = CC=C[CH2:1]I target = 1, prediction = 0.703747756979, rank prediction = 1590 isPredictedFilled = False, isPredictedUnfilled = True