Worst predictions : D4H0_un_e131_s4_lowestPos.txt

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.0250792799731, rank prediction = 639 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1373, atomId = 8641, opReactId = 2448 rxnConditionsId= 3, smi = [Li]C[CH:1]=CC target = 1, prediction = 0.0790640955307, rank prediction = 980 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10696, atomId = 5815, opReactId = 2133 rxnConditionsId= 1, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.131465362306, rank prediction = 1126 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17684, atomId = 3825, opReactId = 1905 rxnConditionsId= 3, smi = CC[C:1]#N target = 1, prediction = 0.150220579214, rank prediction = 1167 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5713, atomId = 5815, opReactId = 2133 rxnConditionsId= 3, smi = [CH3:1]C(C(=O)C)Br target = 1, prediction = 0.177115663993, rank prediction = 1218 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 = 0.205125499637, rank prediction = 1265 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17645, atomId = 7901, opReactId = 2363 rxnConditionsId= 3, smi = [CH3:1]C(C)Cl target = 1, prediction = 0.22147495096, rank prediction = 1288 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.244301860712, rank prediction = 1323 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7226, atomId = 15320, opReactId = 3168 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC(=O)OC[CH:1]2c3ccccc3-c4c2cccc4 target = 1, prediction = 0.29751892206, rank prediction = 1377 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13264, atomId = 14336, opReactId = 3083 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC1CCCCC1=O target = 1, prediction = 0.298549991974, rank prediction = 1379 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8300, atomId = 2099, opReactId = 1616 rxnConditionsId= 1, smi = C[OH:1] target = 1, prediction = 0.303840028677, rank prediction = 1387 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 10702, atomId = 5823, opReactId = 2133 rxnConditionsId= 1, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.307050951207, rank prediction = 1390 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17208, atomId = 4660, opReactId = 1963 rxnConditionsId= 2, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.316718596475, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2364, atomId = 14508, opReactId = 3101 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCCC(=O)OCC target = 1, prediction = 0.341685729995, rank prediction = 1416 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7709, atomId = 3329, opReactId = 1733 rxnConditionsId= 1, smi = [CH2:1]1CO1 target = 1, prediction = 0.357727582616, rank prediction = 1427 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6435, atomId = 4502, opReactId = 1953 rxnConditionsId= 1, smi = [CH3:1]C#N target = 1, prediction = 0.369525660378, rank prediction = 1437 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5717, atomId = 5823, opReactId = 2133 rxnConditionsId= 3, smi = CC(C(=O)[CH3:1])Br target = 1, prediction = 0.386537231085, rank prediction = 1442 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9561, atomId = 4660, opReactId = 1963 rxnConditionsId= 1, smi = CC(=O)O[CH:1](O)O target = 1, prediction = 0.424438371198, rank prediction = 1467 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13420, atomId = 1614, opReactId = 1480 rxnConditionsId= 1, smi = [BrH:1] target = 1, prediction = 0.427350697128, rank prediction = 1470 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2764, atomId = 3329, opReactId = 1733 rxnConditionsId= 3, smi = [CH2:1]1CO1 target = 1, prediction = 0.44196539385, rank prediction = 1481 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13847, atomId = 11108, opReactId = 2751 rxnConditionsId= 1, smi = C(C#N)[OH:1] target = 1, prediction = 0.455441162038, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6651, atomId = 14261, opReactId = 3069 rxnConditionsId= 1, smi = C[C:1](=O)CCCC(=C)[O-] target = 1, prediction = 0.505896858995, rank prediction = 1508 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4949, atomId = 3824, opReactId = 1905 rxnConditionsId= 1, smi = C[CH2:1]C#N target = 1, prediction = 0.524541655299, rank prediction = 1517 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17015, atomId = 11515, opReactId = 2819 rxnConditionsId= 3, smi = C[CH:1]=NOC(=O)C target = 1, prediction = 0.532191948231, rank prediction = 1522 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1430, atomId = 14161, opReactId = 3056 rxnConditionsId= 1, smi = CC=C(CCC1(CCCC[C:1]1=O)C)[O-] target = 1, prediction = 0.532612257817, rank prediction = 1523 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18305, atomId = 14140, opReactId = 3049 rxnConditionsId= 1, smi = CCOC(=C[CH:1](c1ccccc1)O)[O-] target = 1, prediction = 0.562568502381, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10923, atomId = 4209, opReactId = 1860 rxnConditionsId= 1, smi = C1CC[C:1](=O)CC1 target = 1, prediction = 0.567237243749, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17686, atomId = 3824, opReactId = 1905 rxnConditionsId= 3, smi = C[CH2:1]C#N target = 1, prediction = 0.610709836569, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18485, atomId = 13849, opReactId = 3021 rxnConditionsId= 1, smi = c1ccc(cc1)C([CH2:1]C=O)O target = 1, prediction = 0.62100600776, rank prediction = 1573 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10922, atomId = 4207, opReactId = 1860 rxnConditionsId= 1, smi = C1C[CH2:1]C(=O)CC1 target = 1, prediction = 0.634732867859, rank prediction = 1580 isPredictedFilled = False, isPredictedUnfilled = True