Worst predictions : D4H0_un_e131_s8_lowestPos.txt

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.0574990648888, rank prediction = 807 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10730, atomId = 11097, opReactId = 2750 rxnConditionsId= 1, smi = c1ccc2c(c1)C(=O)[NH:1]C2=O target = 1, prediction = 0.150072131094, rank prediction = 1106 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.18719399235, rank prediction = 1166 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17635, atomId = 11554, opReactId = 2808 rxnConditionsId= 3, smi = c1ccc2c(c1)-c3ccccc3C2CO[C:1](=O)ON4C(=O)CCC4=O target = 1, prediction = 0.241100116588, rank prediction = 1246 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3154, atomId = 10789, opReactId = 2710 rxnConditionsId= 3, smi = C[CH2:1]C(CC)(C(C)C)[N+](C)(C)C target = 1, prediction = 0.323860046607, rank prediction = 1327 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 = 0.325343283388, rank prediction = 1328 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3584, atomId = 15042, opReactId = 3136 rxnConditionsId= 1, smi = CC1(C(=O)CCC1=O)CCC(=O)[CH2:1]CCc2cccc(c2)OC target = 1, prediction = 0.328446365635, rank prediction = 1334 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.33852286775, rank prediction = 1343 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4973, atomId = 8565, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=CC#[C:1]1 target = 1, prediction = 0.344591674871, rank prediction = 1349 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.344776343661, rank prediction = 1350 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11263, atomId = 11311, opReactId = 2778 rxnConditionsId= 1, smi = CC(C)(C#N)[OH:1] target = 1, prediction = 0.362813765373, rank prediction = 1360 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.37678517551, rank prediction = 1371 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17761, atomId = 12077, opReactId = 2839 rxnConditionsId= 1, smi = C(=O)(C(F)(F)F)[OH:1] target = 1, prediction = 0.389224213117, rank prediction = 1381 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 = 0.396432060166, rank prediction = 1388 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15407, atomId = 7445, opReactId = 2305 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1cccc(c1)Br target = 1, prediction = 0.44902987358, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.459590899215, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17944, atomId = 10570, opReactId = 2685 rxnConditionsId= 3, smi = C[C:1](=O)OC(=NC1CCCCC1)NC2CCCCC2 target = 1, prediction = 0.478743358147, rank prediction = 1444 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.499535021711, rank prediction = 1459 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18668, atomId = 5952, opReactId = 2149 rxnConditionsId= 1, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.506724090944, rank prediction = 1467 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.50918576668, rank prediction = 1470 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10196, atomId = 4375, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=O)[OH:1] target = 1, prediction = 0.510080370761, rank prediction = 1471 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12986, atomId = 6208, opReactId = 2179 rxnConditionsId= 1, smi = CN(C)C(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.515486359727, rank prediction = 1474 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14232, atomId = 5611, opReactId = 2097 rxnConditionsId= 1, smi = COC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.532504221593, rank prediction = 1483 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11474, atomId = 5884, opReactId = 2140 rxnConditionsId= 1, smi = CNC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.536427246814, rank prediction = 1485 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18428, atomId = 5412, opReactId = 2080 rxnConditionsId= 7, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.555322884518, rank prediction = 1495 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.56984691095, rank prediction = 1497 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.577875830394, rank prediction = 1502 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13654, atomId = 5952, opReactId = 2149 rxnConditionsId= 3, smi = C[CH2:1]C(CC)Br target = 1, prediction = 0.583186259756, rank prediction = 1506 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10342, atomId = 4667, opReactId = 1964 rxnConditionsId= 3, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.58557842833, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4927, atomId = 4375, opReactId = 1933 rxnConditionsId= 3, smi = C=CC(=O)[OH:1] target = 1, prediction = 0.586446880991, rank prediction = 1509 isPredictedFilled = False, isPredictedUnfilled = True