Worst predictions : D4H10_fi_e134_s0_lowestPos.txt

rAtomId = 7123, atomId = 11986, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)C(=[OH+])[O:1]Cc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.0312032621652, rank prediction = 1115 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11236, atomId = 6011, opReactId = 2155 rxnConditionsId= 3, smi = CC(=[O:1])[O-] target = 1, prediction = 0.0558393126062, rank prediction = 1181 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6019, atomId = 6011, opReactId = 2155 rxnConditionsId= 1, smi = CC(=[O:1])[O-] target = 1, prediction = 0.128834759542, rank prediction = 1266 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4051, atomId = 8256, opReactId = 2408 rxnConditionsId= 3, smi = Cc1c[cH:1]c(cc1)N(C)C target = 1, prediction = 0.192607244751, rank prediction = 1310 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.571941839197, rank prediction = 1427 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7292, atomId = 12637, opReactId = 2912 rxnConditionsId= 2, smi = [CH2:1]=CCCCCc1ccccc1 target = 1, prediction = 0.581101164475, rank prediction = 1430 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15813, atomId = 4608, opReactId = 1983 rxnConditionsId= 1, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.669736666456, rank prediction = 1451 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2964, atomId = 10128, opReactId = 2630 rxnConditionsId= 3, smi = [I-:1] target = 1, prediction = 0.688588613494, rank prediction = 1453 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4317, atomId = 3172, opReactId = 1695 rxnConditionsId= 1, smi = CC(=O)C[C:1](C)(C)[OH2+] target = 1, prediction = 0.700024117495, rank prediction = 1456 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2863, atomId = 5548, opReactId = 2087 rxnConditionsId= 1, smi = C=CC([NH2:1])(O)O target = 1, prediction = 0.713136719197, rank prediction = 1461 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4810, atomId = 4860, opReactId = 1840 rxnConditionsId= 1, smi = C[C:1]1(CCCC(=O)C1)[OH2+] target = 1, prediction = 0.716737705699, rank prediction = 1462 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 18699, atomId = 15341, opReactId = 3170 rxnConditionsId= 1, smi = CC[NH+](CC)C(C)(C)[O-:1] target = 1, prediction = 0.722646784043, rank prediction = 1465 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15930, atomId = 1459, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.755224825022, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10542, atomId = 12168, opReactId = 2848 rxnConditionsId= 2, smi = c1ccc(cc1)C(=O)Oc2cc[cH:1]cc2Br target = 1, prediction = 0.765184241199, rank prediction = 1474 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15935, atomId = 1463, opReactId = 1520 rxnConditionsId= 1, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.766149611719, rank prediction = 1476 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15931, atomId = 1453, opReactId = 1520 rxnConditionsId= 1, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.772245254471, rank prediction = 1479 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9130, atomId = 9152, opReactId = 2507 rxnConditionsId= 1, smi = CC[CH:1](C(C)C)Br target = 1, prediction = 0.778125159746, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 15968, atomId = 12052, opReactId = 2855 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CC[C+]=O target = 1, prediction = 0.782097141979, rank prediction = 1483 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5698, atomId = 4608, opReactId = 1983 rxnConditionsId= 2, smi = c1c[cH:1]c2cc(ccc2c1)C(F)(F)F target = 1, prediction = 0.788582165484, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15809, atomId = 4616, opReactId = 1983 rxnConditionsId= 1, smi = c1ccc2cc(ccc2[cH:1]1)C(F)(F)F target = 1, prediction = 0.8137094652, rank prediction = 1491 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2905, atomId = 5023, opReactId = 2014 rxnConditionsId= 2, smi = CC[C:1](C)(C)[OH2+] target = 1, prediction = 0.817952196224, rank prediction = 1492 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.833971726177, rank prediction = 1494 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8805, atomId = 5007, opReactId = 2033 rxnConditionsId= 2, smi = C[CH:1](CC(C)O)[OH2+] target = 1, prediction = 0.834651169967, rank prediction = 1496 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 11719, atomId = 5126, opReactId = 2042 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCCN2)[OH:1] target = 1, prediction = 0.848085008259, rank prediction = 1498 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18333, atomId = 1459, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1[cH:1]cccc1 target = 1, prediction = 0.848963215722, rank prediction = 1500 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18352, atomId = 1463, opReactId = 1520 rxnConditionsId= 2, smi = C#Cc1cc[cH:1]cc1 target = 1, prediction = 0.856447081092, rank prediction = 1502 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 18340, atomId = 1453, opReactId = 1520 rxnConditionsId= 2, smi = [CH:1]#Cc1ccccc1 target = 1, prediction = 0.857405019316, rank prediction = 1503 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.872156317406, rank prediction = 1507 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17736, atomId = 9591, opReactId = 2564 rxnConditionsId= 8, smi = CCC(C)([OH:1])O target = 1, prediction = 0.874298467788, rank prediction = 1508 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9650, atomId = 3725, opReactId = 1883 rxnConditionsId= 1, smi = CC1C([OH+]1)CCC[OH:1] target = 1, prediction = 0.877997977038, rank prediction = 1509 isPredictedFilled = True, isPredictedUnfilled = False