Worst predictions : D4H20_fi_e129_s3_lowestPos.txt

rAtomId = 11317, atomId = 4110, opReactId = 1931 rxnConditionsId= 1, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.0338867282716, rank prediction = 1279 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1077, atomId = 4110, opReactId = 1931 rxnConditionsId= 2, smi = CCC[NH+]1C(=O)c2ccccc2C1([OH:1])O target = 1, prediction = 0.0487506172108, rank prediction = 1334 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1914, atomId = 1762, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.114687389472, rank prediction = 1427 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4371, atomId = 1762, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1[cH:1]cccc1 target = 1, prediction = 0.205540200434, rank prediction = 1496 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7735, atomId = 3734, opReactId = 1813 rxnConditionsId= 1, smi = CC(=[O:1])C=C target = 1, prediction = 0.244975494383, rank prediction = 1520 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.346482253903, rank prediction = 1554 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18102, atomId = 8627, opReactId = 2444 rxnConditionsId= 6, smi = c1c[c-:1]c(nc1)N target = 1, prediction = 0.561093346154, rank prediction = 1608 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17992, atomId = 5798, opReactId = 2114 rxnConditionsId= 6, smi = Cc1cccc([c-:1]1)N target = 1, prediction = 0.570487626811, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9748, atomId = 2728, opReactId = 1547 rxnConditionsId= 1, smi = CC1(CCCC1)C=[CH2:1] target = 1, prediction = 0.596194984436, rank prediction = 1617 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5462, atomId = 13330, opReactId = 2978 rxnConditionsId= 2, smi = [CH2:1]=CCCc1ccccc1 target = 1, prediction = 0.675550919067, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.677296449827, rank prediction = 1632 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18675, atomId = 2138, opReactId = 1635 rxnConditionsId= 1, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.687834350054, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6540, atomId = 3472, opReactId = 1873 rxnConditionsId= 1, smi = CCC([OH2+])[O:1]CC=C target = 1, prediction = 0.69432154784, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.705611900148, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.715352390469, rank prediction = 1641 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.728684159188, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1902, atomId = 1765, opReactId = 1568 rxnConditionsId= 1, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.738420373637, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4438, atomId = 2532, opReactId = 1615 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.746784385421, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9018, atomId = 3151, opReactId = 1768 rxnConditionsId= 1, smi = CC(=[CH:1]CCCC=C(C)C)C target = 1, prediction = 0.769749636932, rank prediction = 1655 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 = 0.787453203647, rank prediction = 1659 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14574, atomId = 1026, opReactId = 1513 rxnConditionsId= 1, smi = C[C:1]#CC target = 1, prediction = 0.802555586059, rank prediction = 1666 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8573, atomId = 2138, opReactId = 1635 rxnConditionsId= 2, smi = CCOc1cc[cH:1]cc1 target = 1, prediction = 0.810922226971, rank prediction = 1667 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.831079218577, rank prediction = 1671 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4360, atomId = 1765, opReactId = 1568 rxnConditionsId= 2, smi = C=Cc1cc[cH:1]cc1 target = 1, prediction = 0.845248945668, rank prediction = 1675 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4369, atomId = 1756, opReactId = 1568 rxnConditionsId= 2, smi = [CH2:1]=Cc1ccccc1 target = 1, prediction = 0.851196522407, rank prediction = 1676 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12059, atomId = 2532, opReactId = 1615 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.851235854876, rank prediction = 1677 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4883, atomId = 11464, opReactId = 2795 rxnConditionsId= 6, smi = [C-:1]#CCO target = 1, prediction = 0.872531688692, rank prediction = 1684 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5933, atomId = 5505, opReactId = 2078 rxnConditionsId= 2, smi = C[CH:1](C=C)[OH2+] target = 1, prediction = 0.879910515453, rank prediction = 1688 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.880803342424, rank prediction = 1689 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 5641, atomId = 2605, opReactId = 1650 rxnConditionsId= 1, smi = COc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.889394372932, rank prediction = 1694 isPredictedFilled = True, isPredictedUnfilled = False