Worst predictions : D4H10_un_e127_s8_lowestPos.txt

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.0327639358591, rank prediction = 956 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.118056145789, rank prediction = 1234 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7878, atomId = 1439, opReactId = 1504 rxnConditionsId= 1, smi = CC[OH:1] target = 1, prediction = 0.120424253329, rank prediction = 1237 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.176620528954, rank prediction = 1305 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 = 0.200933880763, rank prediction = 1325 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18305, atomId = 14140, opReactId = 3049 rxnConditionsId= 1, smi = CCOC(=C[CH:1](c1ccccc1)O)[O-] target = 1, prediction = 0.44394226741, rank prediction = 1452 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 = 0.55135246088, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15003, atomId = 5789, opReactId = 2126 rxnConditionsId= 3, smi = CC(=O)C[CH:1]=O target = 1, prediction = 0.584040513083, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.588902864787, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12311, atomId = 9103, opReactId = 2504 rxnConditionsId= 3, smi = c1ccc(cc1)C(=O)CC[CH:1]=O target = 1, prediction = 0.60563399905, rank prediction = 1505 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10296, atomId = 6602, opReactId = 2222 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.636372197174, rank prediction = 1516 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.647124342834, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.660047254603, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15189, atomId = 6135, opReactId = 2169 rxnConditionsId= 1, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.689301642055, rank prediction = 1535 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5075, atomId = 7752, opReactId = 2360 rxnConditionsId= 6, smi = [C-]#CC[CH2:1]CBr target = 1, prediction = 0.711061400587, rank prediction = 1539 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2772, atomId = 4305, opReactId = 1807 rxnConditionsId= 1, smi = CC[C:1]#[NH+] target = 1, prediction = 0.716815879361, rank prediction = 1543 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 = 0.718160032876, rank prediction = 1544 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4046, atomId = 9811, opReactId = 2578 rxnConditionsId= 1, smi = C[CH2:1]C(=O)N(C)C target = 1, prediction = 0.720526575217, rank prediction = 1546 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.72258670177, rank prediction = 1548 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1153, atomId = 1603, opReactId = 1487 rxnConditionsId= 3, smi = CC1[CH2:1]O1 target = 1, prediction = 0.72469416614, rank prediction = 1549 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5167, atomId = 6602, opReactId = 2222 rxnConditionsId= 3, smi = CC1CCC[CH2:1]C1Br target = 1, prediction = 0.724801933258, rank prediction = 1550 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14232, atomId = 5611, opReactId = 2097 rxnConditionsId= 1, smi = COC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.725217551469, rank prediction = 1551 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10458, atomId = 3344, opReactId = 1699 rxnConditionsId= 1, smi = CC1CCCC[C:1]1=O target = 1, prediction = 0.727374758378, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.731517052673, rank prediction = 1555 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10078, atomId = 6135, opReactId = 2169 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.744618177949, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2519, atomId = 6134, opReactId = 2169 rxnConditionsId= 7, smi = [CH3:1]C(=O)Cc1ccccc1 target = 1, prediction = 0.760663174854, rank prediction = 1560 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14793, atomId = 12269, opReactId = 2869 rxnConditionsId= 2, smi = CCOC(C(C)C(=[OH+:1])C)(O)O target = 1, prediction = 0.76543892722, rank prediction = 1562 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.767089948141, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9470, atomId = 13945, opReactId = 3035 rxnConditionsId= 1, smi = CC1(CCC(=O)[CH2:1]1)O target = 1, prediction = 0.768140887093, rank prediction = 1564 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4517, atomId = 14194, opReactId = 3066 rxnConditionsId= 1, smi = CC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.782928929082, rank prediction = 1570 isPredictedFilled = False, isPredictedUnfilled = True