Worst predictions : D4H10_fi_e133_s6_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0289370594929, rank prediction = 1233 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0555801532947, rank prediction = 1322 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17473, atomId = 10929, opReactId = 2724 rxnConditionsId= 1, smi = C=C[CH:1](c1ccccc1)Br target = 1, prediction = 0.0962712709122, rank prediction = 1391 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18572, atomId = 6076, opReactId = 2158 rxnConditionsId= 1, smi = C[CH:1](c1ccccc1)Br target = 1, prediction = 0.20987196821, rank prediction = 1464 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7735, atomId = 3734, opReactId = 1813 rxnConditionsId= 1, smi = CC(=[O:1])C=C target = 1, prediction = 0.214597587198, rank prediction = 1473 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1324, atomId = 12162, opReactId = 2862 rxnConditionsId= 2, smi = COc1[cH:1]cc(cc1)CBr target = 1, prediction = 0.280619948863, rank prediction = 1499 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.301614326449, rank prediction = 1506 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.30714080556, rank prediction = 1507 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1729, atomId = 1564, opReactId = 1500 rxnConditionsId= 1, smi = C[C:1](=CCCC[C+](C)C)C target = 1, prediction = 0.31262631354, rank prediction = 1510 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.340233655634, rank prediction = 1519 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14965, atomId = 8774, opReactId = 2462 rxnConditionsId= 1, smi = CC(c1ccccc1)[CH:1](C)Br target = 1, prediction = 0.452908101442, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.472892245313, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.557338417747, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.568482547869, rank prediction = 1575 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.57708820867, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10729, atomId = 3394, opReactId = 1736 rxnConditionsId= 1, smi = [CH2:1]=CC=C target = 1, prediction = 0.584193839114, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.593187689758, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2239, atomId = 15390, opReactId = 3175 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+]2)[O-:1] target = 1, prediction = 0.598161001207, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.638843785265, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.665414317019, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7905, atomId = 1715, opReactId = 1588 rxnConditionsId= 1, smi = c1ccc(cc1)[CH:1](CC=O)[OH2+] target = 1, prediction = 0.70316267858, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.743251250097, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.749614659279, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.759057451209, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.772436417548, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10354, atomId = 1883, opReactId = 1705 rxnConditionsId= 3, smi = CC1CCCCC1([N:1]2CCCC2)[OH2+] target = 1, prediction = 0.809018445865, rank prediction = 1620 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13669, atomId = 2371, opReactId = 1654 rxnConditionsId= 2, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.833930811059, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17455, atomId = 8979, opReactId = 2480 rxnConditionsId= 3, smi = CC[N:1](CC)C(C)(C#CC)[OH2+] target = 1, prediction = 0.848773275624, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.853875115306, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3105, atomId = 1733, opReactId = 1573 rxnConditionsId= 1, smi = COc1[cH:1]cc2ccccc2c1Br target = 1, prediction = 0.884090126115, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False