Worst predictions : D4H0_fi_e131_s4_lowestPos.txt

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.0601073549979, rank prediction = 1043 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.0742821625636, rank prediction = 1097 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.102179083921, rank prediction = 1158 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.152809866333, rank prediction = 1247 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.188581532138, rank prediction = 1300 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.203708430836, rank prediction = 1315 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4950, atomId = 3826, opReactId = 1905 rxnConditionsId= 1, smi = CCC#[N:1] target = 1, prediction = 0.320668078534, rank prediction = 1408 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10744, atomId = 8263, opReactId = 2401 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N target = 1, prediction = 0.345221140063, rank prediction = 1429 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.346386355418, rank prediction = 1430 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2462, atomId = 3826, opReactId = 1905 rxnConditionsId= 2, smi = CCC#[N:1] target = 1, prediction = 0.401012464374, rank prediction = 1458 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3182, atomId = 6875, opReactId = 2256 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)OC target = 1, prediction = 0.41105807644, rank prediction = 1462 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.429104272468, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10842, atomId = 3154, opReactId = 1678 rxnConditionsId= 1, smi = C[C:1](=Cc1ccccc1)C target = 1, prediction = 0.452995045968, rank prediction = 1487 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.536800497365, rank prediction = 1518 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1213, atomId = 11172, opReactId = 2757 rxnConditionsId= 1, smi = C[CH:1](C)[CH+]CC(C(C)C)Cl target = 1, prediction = 0.59432718556, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14891, atomId = 1043, opReactId = 1553 rxnConditionsId= 1, smi = CC(=O)C[CH:1](c1ccccc1)[OH2+] target = 1, prediction = 0.604812917882, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18675, atomId = 2138, opReactId = 1635 rxnConditionsId= 1, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.621409376608, rank prediction = 1563 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12210, atomId = 4256, opReactId = 1929 rxnConditionsId= 1, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.643980855162, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.665956801737, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5274, atomId = 2507, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.682182494186, rank prediction = 1588 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8573, atomId = 2138, opReactId = 1635 rxnConditionsId= 2, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.699515045243, rank prediction = 1593 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.702135610226, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 3651, atomId = 2371, opReactId = 1654 rxnConditionsId= 1, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.705894903406, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9599, atomId = 4256, opReactId = 1929 rxnConditionsId= 2, smi = CCC[N:1]1C(=O)c2ccccc2C1(O)O target = 1, prediction = 0.71953162244, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18488, atomId = 5916, opReactId = 2145 rxnConditionsId= 2, smi = C[CH:1](COC)[OH2+] target = 1, prediction = 0.726783927873, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5260, atomId = 2502, opReactId = 1622 rxnConditionsId= 1, smi = CC(=O)c1ccc2[cH:1]cccc2c1 target = 1, prediction = 0.739872476573, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8805, atomId = 5007, opReactId = 2033 rxnConditionsId= 2, smi = C[CH:1](CC(C)O)[OH2+] target = 1, prediction = 0.750287192752, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15261, atomId = 2507, opReactId = 1622 rxnConditionsId= 2, smi = CC(=O)c1ccc2ccc[cH:1]c2c1 target = 1, prediction = 0.752739145043, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13052, atomId = 2564, opReactId = 1665 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCCC[OH:1] target = 1, prediction = 0.764667760502, rank prediction = 1619 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13669, atomId = 2371, opReactId = 1654 rxnConditionsId= 2, smi = CC(C)C=[CH2:1] target = 1, prediction = 0.772939485076, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False