Worst predictions : D4H0_un_e130_s7_lowestPos.txt

rAtomId = 17297, atomId = 1063, opReactId = 1519 rxnConditionsId= 8, smi = [CH3:1]C(=[OH+])O target = 1, prediction = 0.0267280397402, rank prediction = 556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6090, atomId = 4696, opReactId = 1977 rxnConditionsId= 8, smi = CCC(=[OH+])[CH3:1] target = 1, prediction = 0.0564545735707, rank prediction = 754 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6092, atomId = 4689, opReactId = 1977 rxnConditionsId= 8, smi = C[CH2:1]C(=[OH+])C target = 1, prediction = 0.112467411227, rank prediction = 971 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4989, atomId = 7853, opReactId = 2354 rxnConditionsId= 1, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.183622473274, rank prediction = 1139 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17556, atomId = 10186, opReactId = 2641 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)C target = 1, prediction = 0.21518200078, rank prediction = 1175 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4988, atomId = 7846, opReactId = 2354 rxnConditionsId= 1, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.225388543887, rank prediction = 1185 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17768, atomId = 7853, opReactId = 2354 rxnConditionsId= 3, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.238197406242, rank prediction = 1203 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12332, atomId = 10226, opReactId = 2652 rxnConditionsId= 3, smi = [CH3:1]C(C)[N+](C)(C)C target = 1, prediction = 0.242465167438, rank prediction = 1207 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4612, atomId = 7853, opReactId = 2354 rxnConditionsId= 6, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.259294060097, rank prediction = 1224 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17767, atomId = 7846, opReactId = 2354 rxnConditionsId= 3, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.287997741803, rank prediction = 1249 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4610, atomId = 7846, opReactId = 2354 rxnConditionsId= 6, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.311700414115, rank prediction = 1260 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.364774382064, rank prediction = 1295 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6865, atomId = 13669, opReactId = 2995 rxnConditionsId= 1, smi = CC(=O)[NH2:1] target = 1, prediction = 0.371434807276, rank prediction = 1299 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2444, atomId = 11423, opReactId = 2792 rxnConditionsId= 1, smi = c1ccc(cc1)CC(=CC(=O)[OH:1])O target = 1, prediction = 0.382450257896, rank prediction = 1303 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8561, atomId = 8242, opReactId = 2405 rxnConditionsId= 3, smi = C[CH:1](C)C(CC(C(C)C)Br)Br target = 1, prediction = 0.406900862657, rank prediction = 1317 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7503, atomId = 7853, opReactId = 2354 rxnConditionsId= 7, smi = CCC1CCC[CH:1](C1Cl)C target = 1, prediction = 0.446022904433, rank prediction = 1345 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1782, atomId = 5984, opReactId = 2156 rxnConditionsId= 1, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.447443498503, rank prediction = 1346 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 = 0.455588504454, rank prediction = 1357 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.472159566665, rank prediction = 1370 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10437, atomId = 14808, opReactId = 3117 rxnConditionsId= 1, smi = C1C[CH:1]=CC(=O)C1 target = 1, prediction = 0.473101934087, rank prediction = 1371 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.473469162327, rank prediction = 1372 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13847, atomId = 11108, opReactId = 2751 rxnConditionsId= 1, smi = C(C#N)[OH:1] target = 1, prediction = 0.48927459602, rank prediction = 1382 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11638, atomId = 5801, opReactId = 2131 rxnConditionsId= 1, smi = C[CH:1](C)CBr target = 1, prediction = 0.493065477416, rank prediction = 1384 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.500367434049, rank prediction = 1390 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10181, atomId = 14867, opReactId = 3126 rxnConditionsId= 1, smi = CC(=O)CCC(=O)[OH:1] target = 1, prediction = 0.502720574445, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7502, atomId = 7846, opReactId = 2354 rxnConditionsId= 7, smi = CC[CH:1]1CCCC(C1Cl)C target = 1, prediction = 0.510175147733, rank prediction = 1398 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16952, atomId = 4831, opReactId = 2009 rxnConditionsId= 1, smi = C(CC(=O)[OH:1])C=O target = 1, prediction = 0.524109493795, rank prediction = 1408 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6930, atomId = 5984, opReactId = 2156 rxnConditionsId= 3, smi = C[CH2:1]C(C)Br target = 1, prediction = 0.529565946188, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2289, atomId = 9203, opReactId = 2520 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccccc1F target = 1, prediction = 0.540232918664, rank prediction = 1419 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13473, atomId = 7319, opReactId = 2309 rxnConditionsId= 3, smi = CC([CH2:1]C(=O)c1cccc(c1)Br)(c2cccc(c2)Br)O target = 1, prediction = 0.546922814037, rank prediction = 1423 isPredictedFilled = False, isPredictedUnfilled = True