Worst predictions : D4H20_un_e125_s5_lowestPos.txt

rAtomId = 1411, atomId = 6959, opReactId = 2257 rxnConditionsId= 1, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0266633864997, rank prediction = 901 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13933, atomId = 6959, opReactId = 2257 rxnConditionsId= 3, smi = c1c[c:1](ccc1[N+](=O)[O-])I target = 1, prediction = 0.0386354347663, rank prediction = 965 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11550, atomId = 2107, opReactId = 1617 rxnConditionsId= 1, smi = CCC(C)(C(C)Br)[OH+:1]C target = 1, prediction = 0.112058185981, rank prediction = 1160 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6793, atomId = 15037, opReactId = 3137 rxnConditionsId= 1, smi = CC1([C:1](=O)CCC1=O)CCC(=CCCc2cccc(c2)OC)[O-] target = 1, prediction = 0.118939459535, rank prediction = 1172 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5340, atomId = 5896, opReactId = 2142 rxnConditionsId= 3, smi = c1ccc(cc1)[N+]#[N:1] target = 1, prediction = 0.141242673101, rank prediction = 1194 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11318, atomId = 7457, opReactId = 2306 rxnConditionsId= 3, smi = CCN(CC)[C:1](=O)C target = 1, prediction = 0.147701347558, rank prediction = 1204 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17645, atomId = 7901, opReactId = 2363 rxnConditionsId= 3, smi = [CH3:1]C(C)Cl target = 1, prediction = 0.275467044594, rank prediction = 1302 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.285586790638, rank prediction = 1306 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11813, atomId = 15289, opReactId = 3165 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)NC(=O)OC[CH:1]3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.307745095905, rank prediction = 1318 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11760, atomId = 7124, opReactId = 2270 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1ccc(cc1)I)(c2ccc(cc2)I)O target = 1, prediction = 0.332627141687, rank prediction = 1329 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5035, atomId = 1757, opReactId = 1569 rxnConditionsId= 1, smi = [CH3:1][CH+]c1ccccc1 target = 1, prediction = 0.387842971577, rank prediction = 1355 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12178, atomId = 14108, opReactId = 3054 rxnConditionsId= 1, smi = C[CH2:1]C(=O)CCC1(CCCCC1=O)C target = 1, prediction = 0.396528966252, rank prediction = 1358 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18208, atomId = 5326, opReactId = 2053 rxnConditionsId= 3, smi = C[CH:1]=NC target = 1, prediction = 0.411450305251, rank prediction = 1370 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14459, atomId = 6554, opReactId = 2230 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.442506834635, rank prediction = 1386 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.442635305187, rank prediction = 1387 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5194, atomId = 4667, opReactId = 1964 rxnConditionsId= 1, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.468297950096, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8012, atomId = 1969, opReactId = 1523 rxnConditionsId= 2, smi = C[CH:1]=[N+](C)C target = 1, prediction = 0.476359228106, rank prediction = 1401 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12419, atomId = 14674, opReactId = 3113 rxnConditionsId= 1, smi = C[C:1](=O)CCCC=C(C)[O-] target = 1, prediction = 0.478931008446, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3205, atomId = 11872, opReactId = 2827 rxnConditionsId= 3, smi = CC(=O)ON=[CH:1]C(CO)O target = 1, prediction = 0.480286412308, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12694, atomId = 5758, opReactId = 2111 rxnConditionsId= 6, smi = CC1=CC=C[C:1]#C1 target = 1, prediction = 0.493882875141, rank prediction = 1411 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14150, atomId = 7856, opReactId = 2356 rxnConditionsId= 6, smi = CC1(CC[CH2:1]C1Br)Br target = 1, prediction = 0.493941020933, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.495001004128, rank prediction = 1413 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9226, atomId = 6554, opReactId = 2230 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=C[C:1](=O)OC(=O)c2ccccc2)O target = 1, prediction = 0.502634555607, rank prediction = 1417 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12070, atomId = 3480, opReactId = 1849 rxnConditionsId= 1, smi = C=CC(=O)[NH2:1] target = 1, prediction = 0.504307099784, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.509269626196, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16737, atomId = 7460, opReactId = 2306 rxnConditionsId= 1, smi = CCN(CC)C(=O)[CH3:1] target = 1, prediction = 0.526989328747, rank prediction = 1423 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16365, atomId = 3056, opReactId = 1792 rxnConditionsId= 1, smi = C[C+](C)[CH2:1]O target = 1, prediction = 0.550974217557, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.552628323631, rank prediction = 1430 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10342, atomId = 4667, opReactId = 1964 rxnConditionsId= 3, smi = COC(=O)C=[CH2:1] target = 1, prediction = 0.5547928885, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7135, atomId = 2650, opReactId = 1763 rxnConditionsId= 1, smi = C=C[CH2:1][OH2+] target = 1, prediction = 0.584283876279, rank prediction = 1443 isPredictedFilled = True, isPredictedUnfilled = True