Worst predictions : D4H10_fi_e128_s2_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0288826654423, rank prediction = 1216 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0653968700121, rank prediction = 1318 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.0891637243905, rank prediction = 1364 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.229056313213, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.229651576572, rank prediction = 1477 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14574, atomId = 1026, opReactId = 1513 rxnConditionsId= 1, smi = C[C:1]#CC target = 1, prediction = 0.41597397613, rank prediction = 1531 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11671, atomId = 2348, opReactId = 1750 rxnConditionsId= 1, smi = CC1(CC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.455816637787, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18102, atomId = 8627, opReactId = 2444 rxnConditionsId= 6, smi = c1c[c-:1]c(nc1)N target = 1, prediction = 0.599086908614, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.680643268186, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13779, atomId = 8801, opReactId = 2479 rxnConditionsId= 3, smi = CCN(CC)C(C)(C#CC)[OH:1] target = 1, prediction = 0.685623336249, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6709, atomId = 6060, opReactId = 2162 rxnConditionsId= 1, smi = CC[O:1]C(C=C)(O)O target = 1, prediction = 0.739541172387, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.76263662814, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.763112929545, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16091, atomId = 7110, opReactId = 2269 rxnConditionsId= 3, smi = CC(CC(=O)c1ccc(cc1)I)(c2ccc(cc2)I)[O-:1] target = 1, prediction = 0.784498107056, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11423, atomId = 7884, opReactId = 2359 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=C[N-]C target = 1, prediction = 0.792464390489, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.79679642186, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.808919822049, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.814280381206, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1286, atomId = 11946, opReactId = 2831 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC([O-:1])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.822346647241, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10354, atomId = 1883, opReactId = 1705 rxnConditionsId= 3, smi = CC1CCCCC1([N:1]2CCCC2)[OH2+] target = 1, prediction = 0.835852384761, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8731, atomId = 4404, opReactId = 1811 rxnConditionsId= 1, smi = CC(C)([OH:1])Br target = 1, prediction = 0.83695481381, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.847290067602, rank prediction = 1628 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.855177412615, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.855995052268, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3935, atomId = 1849, opReactId = 1580 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)[OH2+] target = 1, prediction = 0.85739796857, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7839, atomId = 3493, opReactId = 1850 rxnConditionsId= 1, smi = CCOC(=O)CC(O)(O)[O:1]CC target = 1, prediction = 0.858369379384, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12401, atomId = 3831, opReactId = 1902 rxnConditionsId= 1, smi = CC[O:1]C(C)[OH2+] target = 1, prediction = 0.86755579952, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18688, atomId = 2563, opReactId = 1774 rxnConditionsId= 3, smi = CC[NH:1]C(C)[OH2+] target = 1, prediction = 0.867826385549, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.877630356171, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9945, atomId = 5296, opReactId = 2055 rxnConditionsId= 3, smi = CCNC(C)[OH:1] target = 1, prediction = 0.885368097568, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False