Worst predictions : D4H20_un_e130_s9_lowestPos.txt

rAtomId = 11550, atomId = 2107, opReactId = 1617 rxnConditionsId= 1, smi = CCC(C)(C(C)Br)[OH+:1]C target = 1, prediction = 0.0264182506583, rank prediction = 1030 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8762, atomId = 2430, opReactId = 1666 rxnConditionsId= 1, smi = CC(C1(CCCC[OH+:1]1)C)Br target = 1, prediction = 0.06219729401, rank prediction = 1209 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 = 0.124492029296, rank prediction = 1340 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7322, atomId = 13966, opReactId = 3039 rxnConditionsId= 1, smi = CC(=C[CH2:1]O)[O-] target = 1, prediction = 0.184688384754, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8065, atomId = 8151, opReactId = 2398 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1Cl target = 1, prediction = 0.236790222008, rank prediction = 1456 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16993, atomId = 5395, opReactId = 2079 rxnConditionsId= 1, smi = [CH2:1]=CC#N target = 1, prediction = 0.244423936898, rank prediction = 1466 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4189, atomId = 5395, opReactId = 2079 rxnConditionsId= 3, smi = [CH2:1]=CC#N target = 1, prediction = 0.338696083387, rank prediction = 1530 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1052, atomId = 13997, opReactId = 3028 rxnConditionsId= 1, smi = C=CC(=O)NCCC(=O)[NH2:1] target = 1, prediction = 0.359704031152, rank prediction = 1547 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11859, atomId = 3669, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.366577540108, rank prediction = 1551 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4229, atomId = 10752, opReactId = 2704 rxnConditionsId= 3, smi = CCC([CH3:1])[N+](C)(C)C target = 1, prediction = 0.389646874286, rank prediction = 1560 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6676, atomId = 3669, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CCC(=O)[CH3:1] target = 1, prediction = 0.474463608881, rank prediction = 1587 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11834, atomId = 3667, opReactId = 1741 rxnConditionsId= 1, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.4761969186, rank prediction = 1588 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3394, atomId = 14488, opReactId = 3099 rxnConditionsId= 1, smi = C[CH2:1]C(=O)OCC target = 1, prediction = 0.49309052024, rank prediction = 1592 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9372, atomId = 7105, opReactId = 2267 rxnConditionsId= 3, smi = C[C:1](=O)CCC(=O)c1ccccc1 target = 1, prediction = 0.496726179983, rank prediction = 1595 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8461, atomId = 5683, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cccn[cH:1]1 target = 1, prediction = 0.509244035394, rank prediction = 1605 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18568, atomId = 6075, opReactId = 2158 rxnConditionsId= 1, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.509414364114, rank prediction = 1606 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8456, atomId = 5680, opReactId = 2103 rxnConditionsId= 6, smi = Cc1cc[cH:1]nc1 target = 1, prediction = 0.510312055303, rank prediction = 1608 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 = 0.53733914745, rank prediction = 1614 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16365, atomId = 3056, opReactId = 1792 rxnConditionsId= 1, smi = C[C+](C)[CH2:1]O target = 1, prediction = 0.53947347044, rank prediction = 1615 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10346, atomId = 4305, opReactId = 1807 rxnConditionsId= 2, smi = CC[C:1]#[NH+] target = 1, prediction = 0.545196680456, rank prediction = 1617 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10406, atomId = 7260, opReactId = 2287 rxnConditionsId= 1, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.5519621298, rank prediction = 1621 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3389, atomId = 14490, opReactId = 3099 rxnConditionsId= 1, smi = CC[C:1](=O)OCC target = 1, prediction = 0.553695939029, rank prediction = 1623 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2636, atomId = 9982, opReactId = 2601 rxnConditionsId= 1, smi = CCOC(=O)[CH:1](CCCCBr)C(=O)OCC target = 1, prediction = 0.564065014148, rank prediction = 1633 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6659, atomId = 3667, opReactId = 1741 rxnConditionsId= 3, smi = CCOC(=O)CC[C:1](=O)C target = 1, prediction = 0.568572684574, rank prediction = 1635 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10876, atomId = 13699, opReactId = 3003 rxnConditionsId= 1, smi = CCO[C:1](=O)OCC target = 1, prediction = 0.577059316529, rank prediction = 1639 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16633, atomId = 11125, opReactId = 2754 rxnConditionsId= 6, smi = CCO[C:1](=O)CCC[O-] target = 1, prediction = 0.590917598326, rank prediction = 1644 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13450, atomId = 6075, opReactId = 2158 rxnConditionsId= 3, smi = [CH3:1]C(c1ccccc1)Br target = 1, prediction = 0.612833425431, rank prediction = 1651 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15597, atomId = 7260, opReactId = 2287 rxnConditionsId= 3, smi = CC=CC(C)([CH:1](C=C)C(=O)C)O target = 1, prediction = 0.63233842208, rank prediction = 1655 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6667, atomId = 3661, opReactId = 1741 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)C target = 1, prediction = 0.63366723521, rank prediction = 1656 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.634755354199, rank prediction = 1657 isPredictedFilled = False, isPredictedUnfilled = True