Worst predictions : D4H0_fi_e132_s6_lowestPos.txt

rAtomId = 11607, atomId = 15020, opReactId = 3152 rxnConditionsId= 1, smi = C1=[CH:1]C(C=C[C-]1[N+](=O)[O-])(O)I target = 1, prediction = 0.381820461156, rank prediction = 1428 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10842, atomId = 3154, opReactId = 1678 rxnConditionsId= 1, smi = C[C:1](=Cc1ccccc1)C target = 1, prediction = 0.394147791655, rank prediction = 1434 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2907, atomId = 1608, opReactId = 1690 rxnConditionsId= 1, smi = C=CC=[O:1] target = 1, prediction = 0.455660985722, rank prediction = 1449 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10041, atomId = 5537, opReactId = 2086 rxnConditionsId= 2, smi = C1C[CH2:1]C2(C1)CCC[CH+]2 target = 1, prediction = 0.476129192622, rank prediction = 1461 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2039, atomId = 1534, opReactId = 1491 rxnConditionsId= 1, smi = [CH2:1]=CCBr target = 1, prediction = 0.600415604611, rank prediction = 1506 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 14988, atomId = 12038, opReactId = 2854 rxnConditionsId= 2, smi = c1c[cH:1]c(cc1)CCCC[C+]=O target = 1, prediction = 0.619082098844, rank prediction = 1511 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1424, atomId = 11826, opReactId = 2822 rxnConditionsId= 3, smi = C(C(C=N[OH:1])O)O target = 1, prediction = 0.636312471491, rank prediction = 1520 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 11658, atomId = 5378, opReactId = 2066 rxnConditionsId= 1, smi = c1ccc(cc1)C(c2ccccc2)(C3CCC(CC3)([OH:1])[OH+]CCO)O target = 1, prediction = 0.674669162612, rank prediction = 1533 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6428, atomId = 13353, opReactId = 2979 rxnConditionsId= 2, smi = C=COc1cc[cH:1]cc1 target = 1, prediction = 0.688377325551, rank prediction = 1541 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2601, atomId = 2006, opReactId = 1720 rxnConditionsId= 1, smi = [cH:1]1ccccc1 target = 1, prediction = 0.690007314183, rank prediction = 1543 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2674, atomId = 3123, opReactId = 1800 rxnConditionsId= 1, smi = CC(=[CH2:1])Br target = 1, prediction = 0.695477126507, rank prediction = 1546 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1383, atomId = 8640, opReactId = 2448 rxnConditionsId= 3, smi = [Li][CH2:1]C=CC target = 1, prediction = 0.696122226874, rank prediction = 1547 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 2658, atomId = 11543, opReactId = 2805 rxnConditionsId= 3, smi = CC(=N[OH:1])C target = 1, prediction = 0.714590442206, rank prediction = 1551 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5933, atomId = 5505, opReactId = 2078 rxnConditionsId= 2, smi = C[CH:1](C=C)[OH2+] target = 1, prediction = 0.723459172012, rank prediction = 1555 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13428, atomId = 5266, opReactId = 2045 rxnConditionsId= 1, smi = CNC=[CH:1]CO target = 1, prediction = 0.7387905407, rank prediction = 1560 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10939, atomId = 2545, opReactId = 1663 rxnConditionsId= 1, smi = CC[CH+][CH:1]=CC target = 1, prediction = 0.742068570938, rank prediction = 1561 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 8644, atomId = 4996, opReactId = 2002 rxnConditionsId= 1, smi = C(C=O)[O:1]C(CO)[OH2+] target = 1, prediction = 0.74637003081, rank prediction = 1562 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 5090, atomId = 2006, opReactId = 1720 rxnConditionsId= 2, smi = [cH:1]1ccccc1 target = 1, prediction = 0.755163010313, rank prediction = 1565 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 13067, atomId = 6320, opReactId = 2185 rxnConditionsId= 3, smi = CCOC(=O)CC(C)([NH:1]C)[OH2+] target = 1, prediction = 0.772696573563, rank prediction = 1570 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 7263, atomId = 1843, opReactId = 1581 rxnConditionsId= 1, smi = C[C:1]1(CCC(=O)C1)[OH2+] target = 1, prediction = 0.780901686312, rank prediction = 1572 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 6176, atomId = 13115, opReactId = 2951 rxnConditionsId= 2, smi = CC[OH+]C(C(Cc1ccccc1)(C(=O)OCC)NC(=O)C)([OH:1])O target = 1, prediction = 0.787988118392, rank prediction = 1574 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10879, atomId = 2893, opReactId = 1780 rxnConditionsId= 1, smi = CCOC(C=C)([OH:1])Cl target = 1, prediction = 0.792569205008, rank prediction = 1577 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 6983, atomId = 5056, opReactId = 2037 rxnConditionsId= 2, smi = CC=[CH:1][CH+]C target = 1, prediction = 0.817559414628, rank prediction = 1585 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 16274, atomId = 5767, opReactId = 2118 rxnConditionsId= 1, smi = CC(=O)OC(C=C)([OH:1])O target = 1, prediction = 0.822332700463, rank prediction = 1587 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 3628, atomId = 4549, opReactId = 1814 rxnConditionsId= 1, smi = CCNC(CCC(=O)OC(=O)C)([OH:1])Cl target = 1, prediction = 0.828602693333, rank prediction = 1589 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4714, atomId = 3168, opReactId = 1803 rxnConditionsId= 1, smi = CC(C)C(O)[O:1]C target = 1, prediction = 0.862392439654, rank prediction = 1595 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 15893, atomId = 1339, opReactId = 1483 rxnConditionsId= 1, smi = CCC1(C([O:1]1)C)C target = 1, prediction = 0.866432841184, rank prediction = 1598 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 1197, atomId = 9540, opReactId = 2559 rxnConditionsId= 8, smi = C[CH:1]=C(C)O target = 1, prediction = 0.874201237255, rank prediction = 1602 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 4419, atomId = 2097, opReactId = 1732 rxnConditionsId= 1, smi = CC1(C[O:1]1)C target = 1, prediction = 0.881000325795, rank prediction = 1603 isPredictedFilled = True, isPredictedUnfilled = False

rAtomId = 10141, atomId = 2901, opReactId = 1782 rxnConditionsId= 1, smi = CC(C)([OH2+])[O:1]CCO target = 1, prediction = 0.88327398713, rank prediction = 1606 isPredictedFilled = True, isPredictedUnfilled = False