Worst predictions : D4H20_un_e125_s1_lowestPos.txt

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.0393821179049, rank prediction = 1095 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17498, atomId = 5724, opReactId = 2107 rxnConditionsId= 6, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.0589751529098, rank prediction = 1161 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10696, atomId = 5815, opReactId = 2133 rxnConditionsId= 1, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.0885690708485, rank prediction = 1242 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5713, atomId = 5815, opReactId = 2133 rxnConditionsId= 3, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.131324312604, rank prediction = 1321 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14817, atomId = 5724, opReactId = 2107 rxnConditionsId= 7, smi = [CH2:1](C[O-])CBr target = 1, prediction = 0.200497902703, rank prediction = 1387 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 = 0.204948873709, rank prediction = 1391 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10702, atomId = 5823, opReactId = 2133 rxnConditionsId= 1, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.258466643119, rank prediction = 1437 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 = 0.285274778811, rank prediction = 1461 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10934, atomId = 1573, opReactId = 1471 rxnConditionsId= 8, smi = [CH3:1]C=[OH+] target = 1, prediction = 0.332776144113, rank prediction = 1493 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5890, atomId = 10306, opReactId = 2661 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(CC)CC target = 1, prediction = 0.348007222405, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5717, atomId = 5823, opReactId = 2133 rxnConditionsId= 3, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.350307084654, rank prediction = 1501 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16480, atomId = 14105, opReactId = 3053 rxnConditionsId= 1, smi = CCO[CH:1]=O target = 1, prediction = 0.429135653367, rank prediction = 1529 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15812, atomId = 1353, opReactId = 1567 rxnConditionsId= 1, smi = [CH3:1]C(=O)C target = 1, prediction = 0.528128994227, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2444, atomId = 11423, opReactId = 2792 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O target = 1, prediction = 0.576536863132, rank prediction = 1572 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.5857244845, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.615051887305, rank prediction = 1587 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15817, atomId = 1355, opReactId = 1567 rxnConditionsId= 1, smi = C[C:1](=O)C target = 1, prediction = 0.615168657419, rank prediction = 1588 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5075, atomId = 7752, opReactId = 2360 rxnConditionsId= 6, smi = [C-]#CC[CH2:1]CBr target = 1, prediction = 0.624749386537, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3310, atomId = 1353, opReactId = 1567 rxnConditionsId= 3, smi = [CH3:1]C(=O)C target = 1, prediction = 0.62524961376, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12311, atomId = 9103, opReactId = 2504 rxnConditionsId= 3, smi = c1ccc(cc1)C(=O)CC[CH:1]=O target = 1, prediction = 0.628926963278, rank prediction = 1599 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11212, atomId = 14592, opReactId = 3087 rxnConditionsId= 1, smi = C1CCC2([CH2:1]C(=O)CCC2C1)O target = 1, prediction = 0.634818290014, rank prediction = 1600 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3758, atomId = 7945, opReactId = 2377 rxnConditionsId= 1, smi = CCOC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.651588363606, rank prediction = 1604 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 = 0.6606235889, rank prediction = 1608 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3843, atomId = 14007, opReactId = 3038 rxnConditionsId= 1, smi = CC(=O)[CH2:1]CO target = 1, prediction = 0.661668309663, rank prediction = 1609 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1515, atomId = 14886, opReactId = 3140 rxnConditionsId= 1, smi = CC12CCC(=C([C:1]1(CCC2=O)O)CCc3cccc(c3)OC)[O-] target = 1, prediction = 0.681414875019, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17015, atomId = 11515, opReactId = 2819 rxnConditionsId= 3, smi = C[CH:1]=NOC(=O)C target = 1, prediction = 0.681702864515, rank prediction = 1616 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11048, atomId = 6839, opReactId = 2226 rxnConditionsId= 3, smi = CN(C)C(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.697417309562, rank prediction = 1620 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3312, atomId = 1355, opReactId = 1567 rxnConditionsId= 3, smi = C[C:1](=O)C target = 1, prediction = 0.703634669083, rank prediction = 1622 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16867, atomId = 7945, opReactId = 2377 rxnConditionsId= 3, smi = CCOC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.722811063539, rank prediction = 1626 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2636, atomId = 9982, opReactId = 2601 rxnConditionsId= 1, smi = CCOC(=O)[CH:1](CCCCBr)C(=O)OCC target = 1, prediction = 0.72767862667, rank prediction = 1628 isPredictedFilled = False, isPredictedUnfilled = True