Worst predictions : D4H20_fi_e133_s9_lowestPos.txt

rAtomId = 4011, atomId = 12111, opReactId = 2840 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)N target = 1, prediction = 0.0458781819382, rank prediction = 1219 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.143971374573, rank prediction = 1309 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.506597871561, rank prediction = 1408 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.538381529274, rank prediction = 1415 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.546530548887, rank prediction = 1418 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.559581234819, rank prediction = 1421 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.57230404055, rank prediction = 1425 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.663546680032, rank prediction = 1439 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.681533211759, rank prediction = 1442 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.698083354798, rank prediction = 1445 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.702518103539, rank prediction = 1446 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.711816204307, rank prediction = 1451 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.721276045707, rank prediction = 1453 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2863, atomId = 5548, opReactId = 2087 rxnConditionsId= 1, smi = C=CC([NH2:1])(O)O target = 1, prediction = 0.775306794004, rank prediction = 1459 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.789829802161, rank prediction = 1463 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.819775534433, rank prediction = 1469 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1286, atomId = 11946, opReactId = 2831 rxnConditionsId= 3, smi = CC(C(=O)NC(CCO)C(=O)OCc1ccc(cc1)OC)NC([O-:1])(OCC2c3ccccc3-c4c2cccc4)ON5C(=O)CCC5=O target = 1, prediction = 0.829003437203, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18446, atomId = 3686, opReactId = 1878 rxnConditionsId= 1, smi = C1C(O1)CCCCC[OH:1] target = 1, prediction = 0.848300952155, rank prediction = 1477 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18658, atomId = 3775, opReactId = 1832 rxnConditionsId= 1, smi = C(CC[OH:1])CC(=[OH+])O target = 1, prediction = 0.861130625884, rank prediction = 1481 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.870045479964, rank prediction = 1484 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6052, atomId = 1672, opReactId = 1576 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)[OH2+] target = 1, prediction = 0.87246933594, rank prediction = 1485 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3040, atomId = 4866, opReactId = 1841 rxnConditionsId= 3, smi = CC[NH:1]C(C)(C)[OH2+] target = 1, prediction = 0.877776970187, rank prediction = 1487 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16038, atomId = 2350, opReactId = 1749 rxnConditionsId= 1, smi = CC[OH+]C(CC#N)(NC)[OH:1] target = 1, prediction = 0.878996371036, rank prediction = 1488 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3012, atomId = 12998, opReactId = 2935 rxnConditionsId= 2, smi = CC[OH+]C(C(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.902063650666, rank prediction = 1495 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9945, atomId = 5296, opReactId = 2055 rxnConditionsId= 3, smi = CCNC(C)[OH:1] target = 1, prediction = 0.903290899924, rank prediction = 1497 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9552, atomId = 1628, opReactId = 1556 rxnConditionsId= 1, smi = C1C(O1)C[OH:1] target = 1, prediction = 0.908363534853, rank prediction = 1500 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.910577992961, rank prediction = 1501 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14712, atomId = 10415, opReactId = 2680 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[N:1](C)C)C target = 1, prediction = 0.910581605018, rank prediction = 1502 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5447, atomId = 3393, opReactId = 1730 rxnConditionsId= 1, smi = CCOC(CCC(=O)NC)([OH:1])[OH+]C target = 1, prediction = 0.914662994484, rank prediction = 1504 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13290, atomId = 6893, opReactId = 2238 rxnConditionsId= 3, smi = c1ccc(cc1)CC(=CC(=O)[O-:1])O target = 1, prediction = 0.92757618592, rank prediction = 1506 isPredictedFilled = True, isPredictedUnfilled = False