Worst predictions : D4H0_un_e128_s0_lowestPos.txt

rAtomId = 14511, atomId = 5743, opReactId = 2110 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Br target = 1, prediction = 0.0303621276269, rank prediction = 649 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.138799656574, rank prediction = 1127 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18726, atomId = 12579, opReactId = 2923 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C(=O)OCC)NC(=O)C target = 1, prediction = 0.198028262105, rank prediction = 1240 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11318, atomId = 7457, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)[C:1](=O)C target = 1, prediction = 0.200204447091, rank prediction = 1243 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.220434845923, rank prediction = 1281 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 = 0.22095765408, rank prediction = 1282 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12151, atomId = 12329, opReactId = 2875 rxnConditionsId= 2, smi = CCOC(=[OH+:1])C(C)C(=O)OCC target = 1, prediction = 0.254255203087, rank prediction = 1323 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.274146131737, rank prediction = 1350 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6731, atomId = 6614, opReactId = 2242 rxnConditionsId= 1, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.362944363773, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.38507379707, rank prediction = 1448 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12229, atomId = 7948, opReactId = 2369 rxnConditionsId= 3, smi = [Li]O[C:1](CC#N)(c1ccccc1)N(C)C target = 1, prediction = 0.416941431202, rank prediction = 1471 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.431617245294, rank prediction = 1482 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1633, atomId = 6614, opReactId = 2242 rxnConditionsId= 3, smi = CC(=O)C(CC[O-])[C:1](=O)OC target = 1, prediction = 0.432131299214, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.437753880463, rank prediction = 1491 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.437929457471, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10587, atomId = 10376, opReactId = 2683 rxnConditionsId= 3, smi = CC=CC1CCC[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.445462152437, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13017, atomId = 4449, opReactId = 1955 rxnConditionsId= 2, smi = C[C:1]#[NH+] target = 1, prediction = 0.457600962598, rank prediction = 1507 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16737, atomId = 7460, opReactId = 2306 rxnConditionsId= 1, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.472156197122, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15812, atomId = 1353, opReactId = 1567 rxnConditionsId= 1, smi = [CH3:1]C(=O)C target = 1, prediction = 0.474051922362, rank prediction = 1527 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1782, atomId = 5984, opReactId = 2156 rxnConditionsId= 1, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.484603002338, rank prediction = 1534 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7064, atomId = 5934, opReactId = 2147 rxnConditionsId= 3, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.503547644382, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.507262663614, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5167, atomId = 6602, opReactId = 2222 rxnConditionsId= 3, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.509789705906, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15003, atomId = 5789, opReactId = 2126 rxnConditionsId= 3, smi = CC(=O)C[CH:1]=O target = 1, prediction = 0.533087511584, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11322, atomId = 7460, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.544371994401, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.544991726685, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15817, atomId = 1355, opReactId = 1567 rxnConditionsId= 1, smi = C[C:1](=O)C target = 1, prediction = 0.545042573688, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3310, atomId = 1353, opReactId = 1567 rxnConditionsId= 3, smi = [CH3:1]C(=O)C target = 1, prediction = 0.546257604779, rank prediction = 1577 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6500, atomId = 7043, opReactId = 2279 rxnConditionsId= 1, smi = C[C:1](=O)OC target = 1, prediction = 0.546981824502, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6930, atomId = 5984, opReactId = 2156 rxnConditionsId= 3, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.556714673694, rank prediction = 1584 isPredictedFilled = False, isPredictedUnfilled = True