Worst predictions : D4H10_fi_e131_s7_lowestPos.txt

rAtomId = 10145, atomId = 5551, opReactId = 2092 rxnConditionsId= 3, smi = c1cc[n:1]cc1 target = 1, prediction = 0.0300662302801, rank prediction = 1242 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18755, atomId = 8402, opReactId = 2417 rxnConditionsId= 3, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0701040810517, rank prediction = 1335 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.0914561678294, rank prediction = 1363 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6032, atomId = 8402, opReactId = 2417 rxnConditionsId= 1, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0922060869496, rank prediction = 1366 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7523, atomId = 5545, opReactId = 2092 rxnConditionsId= 2, smi = c1[cH:1]cncc1 target = 1, prediction = 0.0938079801262, rank prediction = 1371 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.162012796352, rank prediction = 1435 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2572, atomId = 5322, opReactId = 2052 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[O:1]CCO4)O target = 1, prediction = 0.462403631456, rank prediction = 1554 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12201, atomId = 5650, opReactId = 2113 rxnConditionsId= 6, smi = Cc1ccc[c-:1]c1N target = 1, prediction = 0.508440149546, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12593, atomId = 3895, opReactId = 1893 rxnConditionsId= 1, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.520274380256, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8827, atomId = 8578, opReactId = 2442 rxnConditionsId= 6, smi = c1cncc([c-:1]1)N target = 1, prediction = 0.560348351372, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2990, atomId = 2957, opReactId = 1727 rxnConditionsId= 1, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.615776647851, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.627528600569, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10167, atomId = 3895, opReactId = 1893 rxnConditionsId= 2, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.665997757906, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.683302801936, rank prediction = 1592 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.688916839649, rank prediction = 1594 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2863, atomId = 5548, opReactId = 2087 rxnConditionsId= 1, smi = C=CC([NH2:1])(O)O target = 1, prediction = 0.710881681815, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.716790216457, rank prediction = 1599 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 = 0.722892508001, rank prediction = 1600 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.729943681164, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10536, atomId = 2957, opReactId = 1727 rxnConditionsId= 2, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.740866494247, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.750523879163, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.753888313854, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9380, atomId = 9956, opReactId = 2591 rxnConditionsId= 1, smi = CC[C-:1]([N+](=O)[O-])Br target = 1, prediction = 0.760649475242, rank prediction = 1612 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11371, atomId = 10800, opReactId = 2711 rxnConditionsId= 1, smi = C[CH:1](C(C)(C)C)Br target = 1, prediction = 0.773100058417, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.787653839539, rank prediction = 1621 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.791493037522, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.798625626617, rank prediction = 1623 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4360, atomId = 1765, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.817544366425, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.828416092546, rank prediction = 1627 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9931, atomId = 9909, opReactId = 2604 rxnConditionsId= 7, smi = CCOC(=[C:1](CCCCBr)C(=O)OCC)[O-] target = 1, prediction = 0.831986401626, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = False