Worst predictions : D4H0_fi_e125_s5_lowestPos.txt

rAtomId = 16051, atomId = 10446, opReactId = 2673 rxnConditionsId= 3, smi = C(CC(=O)[OH:1])CN target = 1, prediction = 0.352114919296, rank prediction = 1387 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18102, atomId = 8627, opReactId = 2444 rxnConditionsId= 6, smi = c1c[c-:1]c(nc1)N target = 1, prediction = 0.392982064563, rank prediction = 1409 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.438019841737, rank prediction = 1437 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12593, atomId = 3895, opReactId = 1893 rxnConditionsId= 1, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.528001849248, rank prediction = 1470 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.529317128264, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2990, atomId = 2957, opReactId = 1727 rxnConditionsId= 1, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.569058109157, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.595572775097, rank prediction = 1489 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18376, atomId = 8211, opReactId = 2389 rxnConditionsId= 3, smi = CCNC[CH:1]=C[N-]C target = 1, prediction = 0.60412734915, rank prediction = 1491 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10167, atomId = 3895, opReactId = 1893 rxnConditionsId= 2, smi = C[CH+]CCCCc1[cH:1]cccc1 target = 1, prediction = 0.608690243989, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10195, atomId = 4374, opReactId = 1933 rxnConditionsId= 1, smi = C=CC(=[O:1])O target = 1, prediction = 0.622181865944, rank prediction = 1495 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1550, atomId = 10868, opReactId = 2720 rxnConditionsId= 1, smi = CC(C)[C:1](C)(Cc1ccccc1)Br target = 1, prediction = 0.644573527628, rank prediction = 1505 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10536, atomId = 2957, opReactId = 1727 rxnConditionsId= 2, smi = CC(C)(C)c1cc[cH:1]cc1 target = 1, prediction = 0.647414735722, rank prediction = 1507 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.648154389699, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.674266489804, rank prediction = 1516 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13482, atomId = 5593, opReactId = 2099 rxnConditionsId= 6, smi = [CH:1]1=C[N-]C=CC1(N)Cl target = 1, prediction = 0.709119293728, rank prediction = 1527 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.709514868327, rank prediction = 1528 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14642, atomId = 12541, opReactId = 2903 rxnConditionsId= 1, smi = CC([NH:1]O)[OH2+] target = 1, prediction = 0.741964527725, rank prediction = 1534 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17917, atomId = 7151, opReactId = 2274 rxnConditionsId= 3, smi = CC([CH:1]=C(c1ccc(cc1)I)[O-])(c2ccc(cc2)I)O target = 1, prediction = 0.747638749056, rank prediction = 1537 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13047, atomId = 1911, opReactId = 1517 rxnConditionsId= 1, smi = C1[CH:1]=CCC=C1 target = 1, prediction = 0.766881414136, rank prediction = 1542 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9890, atomId = 11674, opReactId = 2835 rxnConditionsId= 2, smi = COc1cc[cH:1]cc1Br target = 1, prediction = 0.797956616131, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2401, atomId = 2421, opReactId = 1535 rxnConditionsId= 1, smi = CCC1CCC(=[CH:1]1)C target = 1, prediction = 0.807841062609, rank prediction = 1549 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18516, atomId = 2570, opReactId = 1758 rxnConditionsId= 1, smi = CC[NH:1]C(C=C)(O)O target = 1, prediction = 0.809034225345, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4301, atomId = 3237, opReactId = 1688 rxnConditionsId= 1, smi = CC(=O)CCC([OH2+])[O:1]CCO target = 1, prediction = 0.809366610423, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16369, atomId = 1101, opReactId = 1595 rxnConditionsId= 1, smi = C(C(C(C(C(C=[OH+])O)O)O)[OH:1])O target = 1, prediction = 0.814201072339, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3628, atomId = 4549, opReactId = 1814 rxnConditionsId= 1, smi = CCNC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.814920532882, rank prediction = 1556 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.815397982441, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11482, atomId = 12883, opReactId = 2933 rxnConditionsId= 2, smi = CCOC(=O)C(C(O)(O)[O:1]CC)NC(=O)C target = 1, prediction = 0.816522013002, rank prediction = 1558 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4326, atomId = 8441, opReactId = 2415 rxnConditionsId= 3, smi = C[N-]C=[CH:1]CC#N target = 1, prediction = 0.818504479575, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7425, atomId = 3909, opReactId = 1887 rxnConditionsId= 1, smi = CCNC(CCC(=O)OCC)([OH:1])Cl target = 1, prediction = 0.831229528822, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11629, atomId = 1703, opReactId = 1484 rxnConditionsId= 1, smi = [Br-:1] target = 1, prediction = 0.852345704922, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False