Worst predictions : D4H0_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 = 0.0393358853751, rank prediction = 892 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.376299787436, rank prediction = 1344 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2536, atomId = 3601, opReactId = 1865 rxnConditionsId= 1, smi = C[CH+][CH2:1]O target = 1, prediction = 0.419355007661, rank prediction = 1357 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.519403015181, rank prediction = 1391 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6054, atomId = 4969, opReactId = 2011 rxnConditionsId= 2, smi = CC=C[CH2:1][OH2+] target = 1, prediction = 0.541773318921, rank prediction = 1394 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17803, atomId = 1798, opReactId = 1495 rxnConditionsId= 1, smi = C[C:1]#Cc1ccccc1 target = 1, prediction = 0.583952028061, rank prediction = 1408 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 = 0.587926336508, rank prediction = 1412 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.593643099568, rank prediction = 1415 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.602261251651, rank prediction = 1416 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16438, atomId = 10851, opReactId = 2717 rxnConditionsId= 1, smi = C[CH+][CH:1](C)c1ccccc1 target = 1, prediction = 0.62082517597, rank prediction = 1423 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12556, atomId = 12097, opReactId = 2860 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC(=O)Cl target = 1, prediction = 0.628227770804, rank prediction = 1426 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12533, atomId = 12093, opReactId = 2860 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)CC(=O)Cl target = 1, prediction = 0.62846078385, rank prediction = 1427 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3850, atomId = 2644, opReactId = 1762 rxnConditionsId= 1, smi = [CH2:1]=CCO target = 1, prediction = 0.707958519848, rank prediction = 1443 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14342, atomId = 4137, opReactId = 1898 rxnConditionsId= 1, smi = CC[O:1]C(C)(C)Br target = 1, prediction = 0.710765391277, rank prediction = 1444 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.716540784864, rank prediction = 1445 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14212, atomId = 4603, opReactId = 1978 rxnConditionsId= 1, smi = C[CH:1]=CO target = 1, prediction = 0.754181640395, rank prediction = 1454 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11185, atomId = 6289, opReactId = 2189 rxnConditionsId= 3, smi = [Li][CH2:1]C=C target = 1, prediction = 0.754241565718, rank prediction = 1455 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13041, atomId = 1902, opReactId = 1511 rxnConditionsId= 3, smi = [C-:1]#N target = 1, prediction = 0.76333540438, rank prediction = 1461 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2863, atomId = 5548, opReactId = 2087 rxnConditionsId= 1, smi = C=CC([NH2:1])(O)O target = 1, prediction = 0.782483782185, rank prediction = 1465 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3856, atomId = 2647, opReactId = 1762 rxnConditionsId= 1, smi = C=CC[OH:1] target = 1, prediction = 0.795761321446, rank prediction = 1469 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17036, atomId = 15220, opReactId = 3159 rxnConditionsId= 3, smi = C1CCC(=[CH:1]C1)O target = 1, prediction = 0.801702350526, rank prediction = 1470 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4665, atomId = 5914, opReactId = 2144 rxnConditionsId= 3, smi = [Cl-:1] target = 1, prediction = 0.810135835504, rank prediction = 1473 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2658, atomId = 11543, opReactId = 2805 rxnConditionsId= 3, smi = CC(=N[OH:1])C target = 1, prediction = 0.8167878004, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9511, atomId = 12439, opReactId = 2890 rxnConditionsId= 1, smi = [NH2:1]O target = 1, prediction = 0.828490021491, rank prediction = 1479 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14712, atomId = 10415, opReactId = 2680 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[N:1](C)C)C target = 1, prediction = 0.83113930114, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9945, atomId = 5296, opReactId = 2055 rxnConditionsId= 3, smi = CCNC(C)[OH:1] target = 1, prediction = 0.836695925875, rank prediction = 1481 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15453, atomId = 5093, opReactId = 2041 rxnConditionsId= 1, smi = C[N:1]=CC=C target = 1, prediction = 0.841842715855, rank prediction = 1484 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18446, atomId = 3686, opReactId = 1878 rxnConditionsId= 1, smi = C1C(O1)CCCCC[OH:1] target = 1, prediction = 0.848712136081, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8033, atomId = 1902, opReactId = 1511 rxnConditionsId= 1, smi = [C-:1]#N target = 1, prediction = 0.855803927043, rank prediction = 1488 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13514, atomId = 2099, opReactId = 1616 rxnConditionsId= 3, smi = C[OH:1] target = 1, prediction = 0.85679237053, rank prediction = 1489 isPredictedFilled = True, isPredictedUnfilled = False