Worst predictions : D4H20_un_e134_s0_lowestPos.txt

rAtomId = 1373, atomId = 8641, opReactId = 2448 rxnConditionsId= 3, smi = [Li]C[CH:1]=CC target = 1, prediction = 0.0310670313128, rank prediction = 904 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9788, atomId = 2935, opReactId = 1664 rxnConditionsId= 1, smi = CCC=C[CH+][CH3:1] target = 1, prediction = 0.0930836107505, rank prediction = 1119 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.2087963971, rank prediction = 1227 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.254452681657, rank prediction = 1256 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.261992208314, rank prediction = 1260 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.270830450217, rank prediction = 1272 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.336089304997, rank prediction = 1303 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.379184445914, rank prediction = 1321 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7132, atomId = 11984, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)[C:1](=[OH+])OCc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.393534286764, rank prediction = 1327 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16365, atomId = 3056, opReactId = 1792 rxnConditionsId= 1, smi = C[C+](C)[CH2:1]O target = 1, prediction = 0.454606366433, rank prediction = 1353 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.488824417898, rank prediction = 1362 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.489764984033, rank prediction = 1363 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.558979584417, rank prediction = 1389 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14950, atomId = 7579, opReactId = 2323 rxnConditionsId= 3, smi = CC#C[C:1](=O)C target = 1, prediction = 0.56716933293, rank prediction = 1394 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.572503038196, rank prediction = 1396 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.585883939264, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5145, atomId = 2585, opReactId = 1760 rxnConditionsId= 1, smi = C=CC[CH2:1][OH2+] target = 1, prediction = 0.605498748501, rank prediction = 1405 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4271, atomId = 9508, opReactId = 2538 rxnConditionsId= 1, smi = C(C[CH2:1]C=O)CC[O-] target = 1, prediction = 0.613191172578, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.644418794747, rank prediction = 1415 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15637, atomId = 13008, opReactId = 2941 rxnConditionsId= 2, smi = CCO[C:1](=[OH+])C(Cc1ccccc1)(C(=O)OCC)NC(=O)C target = 1, prediction = 0.659841337374, rank prediction = 1420 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15088, atomId = 8742, opReactId = 2453 rxnConditionsId= 1, smi = CC(C)[C:1](=O)Cc1ccccc1 target = 1, prediction = 0.686006619145, rank prediction = 1429 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14562, atomId = 1664, opReactId = 1562 rxnConditionsId= 1, smi = CC=CC1[CH:1]([Br+]1)C target = 1, prediction = 0.688226814476, rank prediction = 1430 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17015, atomId = 11515, opReactId = 2819 rxnConditionsId= 3, smi = C[CH:1]=NOC(=O)C target = 1, prediction = 0.693170329175, rank prediction = 1431 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11048, atomId = 6839, opReactId = 2226 rxnConditionsId= 3, smi = CN(C)C(=O)CC[C:1](=O)c1ccccc1 target = 1, prediction = 0.700306320046, rank prediction = 1433 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7751, atomId = 7427, opReactId = 2299 rxnConditionsId= 3, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.700676028344, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11638, atomId = 5801, opReactId = 2131 rxnConditionsId= 1, smi = C[CH:1](C)CBr target = 1, prediction = 0.707503905929, rank prediction = 1436 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9132, atomId = 9153, opReactId = 2507 rxnConditionsId= 1, smi = CCC([CH:1](C)C)Br target = 1, prediction = 0.713014346694, rank prediction = 1439 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13952, atomId = 7691, opReactId = 2337 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccncc1 target = 1, prediction = 0.718428930227, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7695, atomId = 2015, opReactId = 1551 rxnConditionsId= 1, smi = CC(=C)[OH:1] target = 1, prediction = 0.726943793354, rank prediction = 1446 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10789, atomId = 14281, opReactId = 3080 rxnConditionsId= 1, smi = CCC([CH:1](C)C=O)O target = 1, prediction = 0.730877995552, rank prediction = 1447 isPredictedFilled = False, isPredictedUnfilled = True