Worst predictions : D4H10_fi_e131_s3_lowestPos.txt

rAtomId = 7796, atomId = 2897, opReactId = 1662 rxnConditionsId= 1, smi = C[CH:1]=CC=CC target = 1, prediction = 0.269943198343, rank prediction = 1495 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.328668492409, rank prediction = 1509 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.429875797659, rank prediction = 1536 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16253, atomId = 8635, opReactId = 2445 rxnConditionsId= 6, smi = c1cc([c-:1]nc1)N target = 1, prediction = 0.446600390326, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17694, atomId = 2380, opReactId = 1624 rxnConditionsId= 3, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.465110481369, rank prediction = 1552 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16817, atomId = 4721, opReactId = 1981 rxnConditionsId= 1, smi = C[CH+][CH:1](C)C=O target = 1, prediction = 0.544483788366, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.556362600954, rank prediction = 1578 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.616784634899, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11563, atomId = 8185, opReactId = 2396 rxnConditionsId= 3, smi = CC1CCCCC1(N2CCCC2)[OH:1] target = 1, prediction = 0.665019951335, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.699110564961, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11115, atomId = 12777, opReactId = 2920 rxnConditionsId= 2, smi = [CH2:1]=CCOc1ccccc1 target = 1, prediction = 0.70109983087, rank prediction = 1601 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.717173911301, rank prediction = 1604 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12369, atomId = 2380, opReactId = 1624 rxnConditionsId= 1, smi = [cH:1]1ccc(cc1)N target = 1, prediction = 0.738021061098, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11116, atomId = 12784, opReactId = 2920 rxnConditionsId= 2, smi = C=CCOc1cc[cH:1]cc1 target = 1, prediction = 0.7432108223, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5858, atomId = 10896, opReactId = 2735 rxnConditionsId= 1, smi = CCC1CCC[CH:1]([CH+]1)C target = 1, prediction = 0.74757563842, rank prediction = 1611 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.767353310942, rank prediction = 1614 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17695, atomId = 2385, opReactId = 1624 rxnConditionsId= 3, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.770550923712, rank prediction = 1615 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5848, atomId = 10891, opReactId = 2735 rxnConditionsId= 1, smi = CC[CH:1]1CCCC([CH+]1)C target = 1, prediction = 0.797060271279, rank prediction = 1622 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7621, atomId = 5822, opReactId = 2129 rxnConditionsId= 3, smi = CC(=O)CC(NC)[OH:1] target = 1, prediction = 0.80238575335, rank prediction = 1626 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13186, atomId = 3533, opReactId = 1739 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.803715053706, rank prediction = 1627 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17826, atomId = 15367, opReactId = 3172 rxnConditionsId= 1, smi = CCN(CC)C(C)(C)[OH:1] target = 1, prediction = 0.819416195353, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10170, atomId = 6071, opReactId = 2163 rxnConditionsId= 1, smi = CC[OH+]C(C=C)([OH:1])O target = 1, prediction = 0.82623500469, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12372, atomId = 2385, opReactId = 1624 rxnConditionsId= 1, smi = c1ccc(cc1)[NH2:1] target = 1, prediction = 0.85314708068, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4199, atomId = 13808, opReactId = 3029 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=[NH:1])[O-] target = 1, prediction = 0.857074378516, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18658, atomId = 3775, opReactId = 1832 rxnConditionsId= 1, smi = C(CC[OH:1])CC(=[OH+])O target = 1, prediction = 0.86424998617, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17199, atomId = 3637, opReactId = 1784 rxnConditionsId= 1, smi = C=CC([OH:1])(O)Cl target = 1, prediction = 0.873859733697, rank prediction = 1645 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6052, atomId = 1672, opReactId = 1576 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)[OH2+] target = 1, prediction = 0.874112435539, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13172, atomId = 3548, opReactId = 1739 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C#N target = 1, prediction = 0.878336419519, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3045, atomId = 3533, opReactId = 1739 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C#N target = 1, prediction = 0.879572083785, rank prediction = 1649 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5365, atomId = 6486, opReactId = 2207 rxnConditionsId= 1, smi = CC1([OH+]CC[O:1]1)C target = 1, prediction = 0.884953122715, rank prediction = 1651 isPredictedFilled = True, isPredictedUnfilled = False