Worst predictions : D4H20_fi_e126_s5_lowestPos.txt

rAtomId = 11236, atomId = 6011, opReactId = 2155 rxnConditionsId= 3, smi = CC(=[O:1])[O-] target = 1, prediction = 0.031558878243, rank prediction = 1234 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18755, atomId = 8402, opReactId = 2417 rxnConditionsId= 3, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.0442251009847, rank prediction = 1277 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16208, atomId = 2283, opReactId = 1533 rxnConditionsId= 3, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.0828098692896, rank prediction = 1366 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6019, atomId = 6011, opReactId = 2155 rxnConditionsId= 1, smi = CC(=[O:1])[O-] target = 1, prediction = 0.0849294004376, rank prediction = 1370 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.113521084323, rank prediction = 1408 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3518, atomId = 2283, opReactId = 1533 rxnConditionsId= 1, smi = c1ccc(cc1)[OH:1] target = 1, prediction = 0.114297097305, rank prediction = 1410 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6032, atomId = 8402, opReactId = 2417 rxnConditionsId= 1, smi = C=C(CCCBr)[O-:1] target = 1, prediction = 0.116209502166, rank prediction = 1413 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6216, atomId = 1598, opReactId = 1691 rxnConditionsId= 8, smi = CC(=[O:1])O target = 1, prediction = 0.177212241594, rank prediction = 1463 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.193964005828, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6325, atomId = 1598, opReactId = 1691 rxnConditionsId= 1, smi = CC(=[O:1])O target = 1, prediction = 0.236880032103, rank prediction = 1491 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12102, atomId = 8522, opReactId = 2424 rxnConditionsId= 3, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(C#N)I target = 1, prediction = 0.377829974347, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.436503041868, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.446781022257, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11490, atomId = 1601, opReactId = 1691 rxnConditionsId= 3, smi = CC(=O)[OH:1] target = 1, prediction = 0.504113585696, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16213, atomId = 2277, opReactId = 1533 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)O target = 1, prediction = 0.532044420182, rank prediction = 1590 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2667, atomId = 12147, opReactId = 2845 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2 target = 1, prediction = 0.567641149193, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6095, atomId = 2540, opReactId = 1752 rxnConditionsId= 3, smi = [OH2:1] target = 1, prediction = 0.568709834084, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.582669661571, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.598931854243, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.603194786226, rank prediction = 1618 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1186, atomId = 2540, opReactId = 1752 rxnConditionsId= 8, smi = [OH2:1] target = 1, prediction = 0.623091864547, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.648213787884, rank prediction = 1629 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13330, atomId = 3940, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1cc[cH:1]cc1 target = 1, prediction = 0.693355526753, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11563, atomId = 8185, opReactId = 2396 rxnConditionsId= 3, smi = CC1CCCCC1(N2CCCC2)[OH:1] target = 1, prediction = 0.695422010106, rank prediction = 1637 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3832, atomId = 2540, opReactId = 1752 rxnConditionsId= 2, smi = [OH2:1] target = 1, prediction = 0.69595899766, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13325, atomId = 3936, opReactId = 1900 rxnConditionsId= 1, smi = C=CCc1[cH:1]cccc1 target = 1, prediction = 0.707625591898, rank prediction = 1639 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16015, atomId = 3927, opReactId = 1900 rxnConditionsId= 2, smi = [CH2:1]=CCc1ccccc1 target = 1, prediction = 0.707964586083, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11137, atomId = 3576, opReactId = 1851 rxnConditionsId= 1, smi = CC[O:1]C(CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.732340498984, rank prediction = 1644 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.738196233054, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10170, atomId = 6071, opReactId = 2163 rxnConditionsId= 1, smi = CC[OH+]C(C=C)([OH:1])O target = 1, prediction = 0.74018963424, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False