Worst predictions : D4H20_un_e132_s0_lowestPos.txt

rAtomId = 1860, atomId = 8658, opReactId = 2446 rxnConditionsId= 3, smi = [Li]C(C)[CH:1]=C target = 1, prediction = 0.060570621038, rank prediction = 1166 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0763621212464, rank prediction = 1217 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17016, atomId = 10739, opReactId = 2703 rxnConditionsId= 3, smi = C[CH:1]1CC=CC(C1[N+](C)(C)C)C target = 1, prediction = 0.136089536619, rank prediction = 1295 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.293074221428, rank prediction = 1411 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12207, atomId = 1402, opReactId = 1596 rxnConditionsId= 1, smi = [CH3:1]C=O target = 1, prediction = 0.500308907145, rank prediction = 1500 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.534929602288, rank prediction = 1515 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13358, atomId = 6516, opReactId = 2216 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.545528668291, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17031, atomId = 10743, opReactId = 2703 rxnConditionsId= 3, smi = CC1CC=C[CH:1](C1[N+](C)(C)C)C target = 1, prediction = 0.553094170784, rank prediction = 1527 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17111, atomId = 1402, opReactId = 1596 rxnConditionsId= 3, smi = [CH3:1]C=O target = 1, prediction = 0.604652864926, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.618209675023, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17181, atomId = 6516, opReactId = 2216 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.637361943987, rank prediction = 1552 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4725, atomId = 8393, opReactId = 2434 rxnConditionsId= 1, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.681000663776, rank prediction = 1563 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.696682866876, rank prediction = 1571 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16790, atomId = 13062, opReactId = 2945 rxnConditionsId= 2, smi = CCOC(=O)C(Cc1ccccc1)(C([OH2+:1])(O)OCC)NC(=O)C target = 1, prediction = 0.718170516006, rank prediction = 1575 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12209, atomId = 1404, opReactId = 1596 rxnConditionsId= 1, smi = C[CH:1]=O target = 1, prediction = 0.719945677055, rank prediction = 1576 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13372, atomId = 11099, opReactId = 2749 rxnConditionsId= 1, smi = C[CH2:1]C=[N+]1CCCCC1 target = 1, prediction = 0.727306449232, rank prediction = 1578 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2289, atomId = 9203, opReactId = 2520 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1F target = 1, prediction = 0.728701652231, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15522, atomId = 1086, opReactId = 1492 rxnConditionsId= 1, smi = CC(C)C[CH2:1][OH2+] target = 1, prediction = 0.743390138287, rank prediction = 1582 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9044, atomId = 14400, opReactId = 3075 rxnConditionsId= 1, smi = CC[CH:1]=O target = 1, prediction = 0.749209216094, rank prediction = 1584 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17508, atomId = 8393, opReactId = 2434 rxnConditionsId= 3, smi = C(C[CH:1]=O)C[O-] target = 1, prediction = 0.75155515734, rank prediction = 1586 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2287, atomId = 9204, opReactId = 2520 rxnConditionsId= 3, smi = C[C:1](=O)c1ccccc1F target = 1, prediction = 0.778297827163, rank prediction = 1590 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17115, atomId = 1404, opReactId = 1596 rxnConditionsId= 3, smi = C[CH:1]=O target = 1, prediction = 0.783763842194, rank prediction = 1593 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14497, atomId = 1837, opReactId = 1707 rxnConditionsId= 1, smi = CC1CCC[CH2:1]C1=[N+]2CCCC2 target = 1, prediction = 0.784570649964, rank prediction = 1594 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15685, atomId = 10356, opReactId = 2655 rxnConditionsId= 3, smi = C[NH+:1](C)c1ccccc1 target = 1, prediction = 0.79197928689, rank prediction = 1597 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11638, atomId = 5801, opReactId = 2131 rxnConditionsId= 1, smi = C[CH:1](C)CBr target = 1, prediction = 0.796407980328, rank prediction = 1598 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12393, atomId = 5252, opReactId = 2047 rxnConditionsId= 1, smi = C[NH+:1]=CCCO target = 1, prediction = 0.807770959216, rank prediction = 1602 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1809, atomId = 7921, opReactId = 2375 rxnConditionsId= 3, smi = c1ccc(cc1)[C:1](=O)CC#N target = 1, prediction = 0.808427596289, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14820, atomId = 15173, opReactId = 3153 rxnConditionsId= 1, smi = c1cc(ccc1[N+](=O)[O-])[OH:1] target = 1, prediction = 0.82169980298, rank prediction = 1604 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6789, atomId = 1402, opReactId = 1596 rxnConditionsId= 7, smi = [CH3:1]C=O target = 1, prediction = 0.823328944995, rank prediction = 1605 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11276, atomId = 9365, opReactId = 2525 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccccc1F)(c2ccccc2F)O target = 1, prediction = 0.828748688979, rank prediction = 1607 isPredictedFilled = False, isPredictedUnfilled = True