Worst predictions : D4H10_un_e134_s0_lowestPos.txt

rAtomId = 1373, atomId = 8641, opReactId = 2448 rxnConditionsId= 3, smi = [Li]C[CH:1]=CC target = 1, prediction = 0.0266044733419, rank prediction = 873 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9788, atomId = 2935, opReactId = 1664 rxnConditionsId= 1, smi = CCC=C[CH+][CH3:1] target = 1, prediction = 0.0969055031161, rank prediction = 1135 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.197023186147, rank prediction = 1217 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.226394615304, rank prediction = 1236 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.275272850938, rank prediction = 1267 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.302517701149, rank prediction = 1285 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.355241022947, rank prediction = 1308 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17959, atomId = 14465, opReactId = 3098 rxnConditionsId= 1, smi = c1ccnc(c1)[OH:1] target = 1, prediction = 0.365958016424, rank prediction = 1313 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 = 0.368453082976, rank prediction = 1315 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16365, atomId = 3056, opReactId = 1792 rxnConditionsId= 1, smi = C[C+](C)[CH2:1]O target = 1, prediction = 0.448990763588, rank prediction = 1348 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7365, atomId = 11185, opReactId = 2761 rxnConditionsId= 1, smi = CC(C)[C:1](C)(CC=NC)Br target = 1, prediction = 0.501505703577, rank prediction = 1364 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 14950, atomId = 7579, opReactId = 2323 rxnConditionsId= 3, smi = CC#C[C:1](=O)C target = 1, prediction = 0.50385638368, rank prediction = 1365 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.526706834195, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16760, atomId = 14781, opReactId = 3121 rxnConditionsId= 1, smi = CCC(C)O[C:1](=O)C target = 1, prediction = 0.547330602297, rank prediction = 1386 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4271, atomId = 9508, opReactId = 2538 rxnConditionsId= 1, smi = C(C[CH2:1]C=O)CC[O-] target = 1, prediction = 0.594472083825, rank prediction = 1400 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.60014252289, rank prediction = 1402 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.602251379097, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18293, atomId = 2070, opReactId = 1724 rxnConditionsId= 1, smi = C1CC[C:1](=O)C(C1)CCCN target = 1, prediction = 0.604546601964, rank prediction = 1406 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14562, atomId = 1664, opReactId = 1562 rxnConditionsId= 1, smi = CC=CC1[CH:1]([Br+]1)C target = 1, prediction = 0.646946538618, rank prediction = 1418 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5145, atomId = 2585, opReactId = 1760 rxnConditionsId= 1, smi = C=CC[CH2:1][OH2+] target = 1, prediction = 0.649560069379, rank prediction = 1419 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 = 0.653680122851, rank prediction = 1420 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2905, atomId = 5023, opReactId = 2014 rxnConditionsId= 2, smi = CC[C:1](C)(C)[OH2+] target = 1, prediction = 0.671959233903, rank prediction = 1423 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 7751, atomId = 7427, opReactId = 2299 rxnConditionsId= 3, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.674669132245, rank prediction = 1425 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.674977369227, rank prediction = 1426 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17015, atomId = 11515, opReactId = 2819 rxnConditionsId= 3, smi = C[CH:1]=NOC(=O)C target = 1, prediction = 0.677128585487, rank prediction = 1428 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 = 0.681711946654, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8292, atomId = 12337, opReactId = 2892 rxnConditionsId= 1, smi = [NH3+:1]O target = 1, prediction = 0.689255537136, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7695, atomId = 2015, opReactId = 1551 rxnConditionsId= 1, smi = CC(=C)[OH:1] target = 1, prediction = 0.710252649493, rank prediction = 1440 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13952, atomId = 7691, opReactId = 2337 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccncc1 target = 1, prediction = 0.710347913174, rank prediction = 1441 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10789, atomId = 14281, opReactId = 3080 rxnConditionsId= 1, smi = CCC([CH:1](C)C=O)O target = 1, prediction = 0.713633141333, rank prediction = 1442 isPredictedFilled = False, isPredictedUnfilled = True