Worst predictions : D4H0_fi_e127_s0_lowestPos.txt

rAtomId = 5589, atomId = 2946, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.152896268751, rank prediction = 1259 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3511, atomId = 15271, opReactId = 3167 rxnConditionsId= 3, smi = CC(C(=O)NC(Cc1ccccc1)C(=O)OCc2ccc(cc2)OC)[NH:1]C(=O)[O-] target = 1, prediction = 0.195422783332, rank prediction = 1324 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8085, atomId = 2946, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1(CCCC1)[CH3:1] target = 1, prediction = 0.20174887758, rank prediction = 1333 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5593, atomId = 2942, opReactId = 1548 rxnConditionsId= 1, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.267600067635, rank prediction = 1395 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9776, atomId = 10303, opReactId = 2669 rxnConditionsId= 3, smi = C(CCN)CC(=O)[OH:1] target = 1, prediction = 0.3355779516, rank prediction = 1435 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8088, atomId = 2942, opReactId = 1548 rxnConditionsId= 2, smi = C[CH+]C1([CH2:1]CCC1)C target = 1, prediction = 0.338458958098, rank prediction = 1437 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11611, atomId = 11088, opReactId = 2748 rxnConditionsId= 1, smi = C[CH:1](COC)Br target = 1, prediction = 0.401232668552, rank prediction = 1477 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 17213, atomId = 1351, opReactId = 1667 rxnConditionsId= 3, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.446327172782, rank prediction = 1499 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16996, atomId = 5398, opReactId = 2079 rxnConditionsId= 1, smi = C=CC#[N:1] target = 1, prediction = 0.507276292179, rank prediction = 1529 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1783, atomId = 5985, opReactId = 2156 rxnConditionsId= 1, smi = CC[CH:1](C)Br target = 1, prediction = 0.507659769209, rank prediction = 1530 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 12276, atomId = 1351, opReactId = 1667 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1 target = 1, prediction = 0.603543408057, rank prediction = 1573 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11215, atomId = 12431, opReactId = 2889 rxnConditionsId= 2, smi = [cH:1]1ccc(cc1)OC(=O)Cl target = 1, prediction = 0.617191672483, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15362, atomId = 10336, opReactId = 2654 rxnConditionsId= 3, smi = C[NH:1]c1ccccc1 target = 1, prediction = 0.623419993126, rank prediction = 1579 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17210, atomId = 1347, opReactId = 1667 rxnConditionsId= 3, smi = C[N:1](C)c1ccccc1 target = 1, prediction = 0.627170158731, rank prediction = 1581 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 17998, atomId = 11156, opReactId = 2759 rxnConditionsId= 1, smi = CC[CH+][CH:1](C)C target = 1, prediction = 0.682385169412, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6902, atomId = 1121, opReactId = 1497 rxnConditionsId= 1, smi = CC[C:1](=C(C)CC)C target = 1, prediction = 0.708883991953, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.712733330987, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12830, atomId = 1369, opReactId = 1674 rxnConditionsId= 1, smi = CN(C)c1cc[cH:1]cc1Br target = 1, prediction = 0.719014796544, rank prediction = 1616 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5641, atomId = 2605, opReactId = 1650 rxnConditionsId= 1, smi = COc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.758643508866, rank prediction = 1627 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15994, atomId = 3101, opReactId = 1684 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])Cl target = 1, prediction = 0.764269951209, rank prediction = 1630 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11610, atomId = 11090, opReactId = 2748 rxnConditionsId= 1, smi = CC(C[O:1]C)Br target = 1, prediction = 0.765250626657, rank prediction = 1631 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13041, atomId = 1902, opReactId = 1511 rxnConditionsId= 3, smi = [C-:1]#N target = 1, prediction = 0.776647730095, rank prediction = 1634 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7905, atomId = 1715, opReactId = 1588 rxnConditionsId= 1, smi = c1ccc(cc1)[CH:1](CC=O)[OH2+] target = 1, prediction = 0.784770263812, rank prediction = 1635 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4861, atomId = 4061, opReactId = 1914 rxnConditionsId= 1, smi = COC(=O)C1CCC(CC1)([OH2+])[O:1]CCO target = 1, prediction = 0.790050935814, rank prediction = 1638 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.802777025076, rank prediction = 1640 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15827, atomId = 2605, opReactId = 1650 rxnConditionsId= 2, smi = COc1cc[cH:1]c2c1cccc2 target = 1, prediction = 0.814862542628, rank prediction = 1643 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8260, atomId = 10439, opReactId = 2672 rxnConditionsId= 3, smi = CC=CC1CCCC(C1[NH:1]C)C target = 1, prediction = 0.831510727498, rank prediction = 1646 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12360, atomId = 7277, opReactId = 2289 rxnConditionsId= 3, smi = CC[NH-:1] target = 1, prediction = 0.832572624905, rank prediction = 1647 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16971, atomId = 6035, opReactId = 2122 rxnConditionsId= 3, smi = [CH2-:1]c1ccccn1 target = 1, prediction = 0.832939901463, rank prediction = 1648 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13212, atomId = 4707, opReactId = 1980 rxnConditionsId= 1, smi = CC(C=O)[CH:1](C)[OH2+] target = 1, prediction = 0.833446279357, rank prediction = 1649 isPredictedFilled = True, isPredictedUnfilled = True