Worst predictions : D4H20_fi_e128_s2_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0222836757892, rank prediction = 1196 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0531097870045, rank prediction = 1313 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5789, atomId = 7567, opReactId = 2321 rxnConditionsId= 3, smi = [N-:1]=[N+]=[N-] target = 1, prediction = 0.0587974693135, rank prediction = 1324 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.206255142734, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.241035671256, rank prediction = 1490 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14574, atomId = 1026, opReactId = 1513 rxnConditionsId= 1, smi = C[C:1]#CC target = 1, prediction = 0.462388003812, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11671, atomId = 2348, opReactId = 1750 rxnConditionsId= 1, smi = CC1(CC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.510108517346, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13779, atomId = 8801, opReactId = 2479 rxnConditionsId= 3, smi = CCN(CC)C(C)(C#CC)[OH:1] target = 1, prediction = 0.620561536155, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18102, atomId = 8627, opReactId = 2444 rxnConditionsId= 6, smi = c1c[c-:1]c(nc1)N target = 1, prediction = 0.648831403977, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11423, atomId = 7884, opReactId = 2359 rxnConditionsId= 3, smi = CC(=O)CC[CH:1]=C[N-]C target = 1, prediction = 0.684148517539, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.690081475758, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10669, atomId = 2232, opReactId = 1619 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.727300848189, rank prediction = 1607 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 = 0.734403012188, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.751354240685, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 8731, atomId = 4404, opReactId = 1811 rxnConditionsId= 1, smi = CC(C)([OH:1])Br target = 1, prediction = 0.760702229899, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.764848415262, 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 = 0.774244854301, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10354, atomId = 1883, opReactId = 1705 rxnConditionsId= 3, smi = CC1CCCCC1([N:1]2CCCC2)[OH2+] target = 1, prediction = 0.798123578162, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3935, atomId = 1849, opReactId = 1580 rxnConditionsId= 1, smi = C1CC[O:1]C(C1)[OH2+] target = 1, prediction = 0.798273021679, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

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 = 0.803648765726, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8903, atomId = 2453, opReactId = 1586 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.808173733752, rank prediction = 1625 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17826, atomId = 15367, opReactId = 3172 rxnConditionsId= 1, smi = CCN(CC)C(C)(C)[OH:1] target = 1, prediction = 0.829585163103, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12809, atomId = 5518, opReactId = 2083 rxnConditionsId= 2, smi = C1CCC2(C1)CCC[CH:1]2[OH2+] target = 1, prediction = 0.839436664106, rank prediction = 1633 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18363, atomId = 2232, opReactId = 1619 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)[N+](=O)[O-] target = 1, prediction = 0.8422125785, rank prediction = 1636 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18688, atomId = 2563, opReactId = 1774 rxnConditionsId= 3, smi = CC[NH:1]C(C)[OH2+] target = 1, prediction = 0.844967650039, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.846734105146, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.853719824488, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6709, atomId = 6060, opReactId = 2162 rxnConditionsId= 1, smi = CC[O:1]C(C=C)(O)O target = 1, prediction = 0.857667667674, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10673, atomId = 2249, opReactId = 1619 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)[N+](=O)[O-] target = 1, prediction = 0.862697153072, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12401, atomId = 3831, opReactId = 1902 rxnConditionsId= 1, smi = CC[O:1]C(C)[OH2+] target = 1, prediction = 0.86354182639, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False