Worst predictions : D4H10_fi_e128_s4_lowestPos.txt

rAtomId = 5350, atomId = 3622, opReactId = 1693 rxnConditionsId= 1, smi = C([CH:1]=CO)Br target = 1, prediction = 0.353181336127, rank prediction = 1471 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13003, atomId = 12549, opReactId = 2842 rxnConditionsId= 2, smi = COc1cc[cH:1]c(c1)[N+](=O)[O-] target = 1, prediction = 0.388060608347, rank prediction = 1479 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12413, atomId = 5353, opReactId = 2064 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)(O)[O:1]CCO)O target = 1, prediction = 0.39341089924, rank prediction = 1480 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4953, atomId = 2484, opReactId = 1501 rxnConditionsId= 1, smi = CC1(CCC[CH+]C1([CH3:1])C)C target = 1, prediction = 0.404454520383, rank prediction = 1486 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1532, atomId = 5249, opReactId = 2054 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC4(CC3)[OH+]CC[O:1]4)O target = 1, prediction = 0.436111557418, rank prediction = 1490 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15910, atomId = 12793, opReactId = 2926 rxnConditionsId= 2, smi = [CH2:1]=CCCCOc1ccccc1 target = 1, prediction = 0.519991469967, rank prediction = 1512 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6434, atomId = 4504, opReactId = 1953 rxnConditionsId= 1, smi = CC#[N:1] target = 1, prediction = 0.567405298452, rank prediction = 1522 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6154, atomId = 12803, opReactId = 2942 rxnConditionsId= 2, smi = [CH2:1]=CCCOc1ccccc1 target = 1, prediction = 0.580056784082, rank prediction = 1527 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12823, atomId = 13587, opReactId = 2968 rxnConditionsId= 2, smi = [CH2:1]=CCCCc1ccccc1 target = 1, prediction = 0.583744622482, rank prediction = 1528 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12868, atomId = 2774, opReactId = 1776 rxnConditionsId= 1, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.602502858303, rank prediction = 1532 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3766, atomId = 4014, opReactId = 1916 rxnConditionsId= 1, smi = CC1C([Br+]1)(C)CCC[OH:1] target = 1, prediction = 0.683877995781, rank prediction = 1550 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3994, atomId = 4504, opReactId = 1953 rxnConditionsId= 2, smi = CC#[N:1] target = 1, prediction = 0.685379275572, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6837, atomId = 1228, opReactId = 1655 rxnConditionsId= 1, smi = COCC=[CH2:1] target = 1, prediction = 0.727211793296, rank prediction = 1557 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15711, atomId = 2774, opReactId = 1776 rxnConditionsId= 2, smi = CCC(=O)Nc1cc[cH:1]cc1 target = 1, prediction = 0.7318684212, rank prediction = 1559 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6623, atomId = 12222, opReactId = 2853 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCC[C+]=O target = 1, prediction = 0.733492684802, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11719, atomId = 5126, opReactId = 2042 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCCN2)[OH:1] target = 1, prediction = 0.737773738239, rank prediction = 1566 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14082, atomId = 6219, opReactId = 2180 rxnConditionsId= 3, smi = CCOC(=O)CC(C)(NC)[OH:1] target = 1, prediction = 0.739733159722, rank prediction = 1568 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1457, atomId = 3188, opReactId = 1802 rxnConditionsId= 1, smi = CC[N:1](CC)C(C=C)(O)O target = 1, prediction = 0.742498576999, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3824, atomId = 5870, opReactId = 2130 rxnConditionsId= 3, smi = CC(=O)CC([NH:1]C)[OH2+] target = 1, prediction = 0.745542707223, rank prediction = 1571 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 9032, atomId = 4332, opReactId = 1935 rxnConditionsId= 1, smi = CCNC(C=C)([OH:1])OC(=O)C target = 1, prediction = 0.764405859846, rank prediction = 1580 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2388, atomId = 8813, opReactId = 2468 rxnConditionsId= 1, smi = CC(C)[CH:1](C)Br target = 1, prediction = 0.777850424244, rank prediction = 1582 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 4438, atomId = 2532, opReactId = 1615 rxnConditionsId= 1, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.780254984476, rank prediction = 1583 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7814, atomId = 9167, opReactId = 2509 rxnConditionsId= 1, smi = CC[NH2+]C(C)(C)[O-:1] target = 1, prediction = 0.794120946467, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6842, atomId = 1225, opReactId = 1655 rxnConditionsId= 1, smi = C[O:1]CC=C target = 1, prediction = 0.829686770614, rank prediction = 1591 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2944, atomId = 1565, opReactId = 1498 rxnConditionsId= 1, smi = CC(=[CH:1]CCC=C(C)C)C target = 1, prediction = 0.837105627904, rank prediction = 1596 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.840548070218, rank prediction = 1597 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 12059, atomId = 2532, opReactId = 1615 rxnConditionsId= 2, smi = CCC(=O)Oc1cc[cH:1]cc1Br target = 1, prediction = 0.861678243612, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7344, atomId = 12452, opReactId = 2894 rxnConditionsId= 1, smi = CC(C)(NO)[OH:1] target = 1, prediction = 0.871591735604, rank prediction = 1607 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.876632282626, rank prediction = 1609 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6983, atomId = 5056, opReactId = 2037 rxnConditionsId= 2, smi = CC=[CH:1][CH+]C target = 1, prediction = 0.880550947364, rank prediction = 1610 isPredictedFilled = True, isPredictedUnfilled = False