Worst predictions : D4H20_un_e125_s9_lowestPos.txt

rAtomId = 7608, atomId = 8167, opReactId = 2400 rxnConditionsId= 6, smi = Cc1ccc[cH:1]c1I target = 1, prediction = 0.0117284573238, rank prediction = 845 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1373, atomId = 8641, opReactId = 2448 rxnConditionsId= 3, smi = [Li]C[CH:1]=CC target = 1, prediction = 0.0332725211049, rank prediction = 1021 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3594, atomId = 7033, opReactId = 2278 rxnConditionsId= 1, smi = [CH3:1]C=CC(=O)C target = 1, prediction = 0.0715525821737, rank prediction = 1128 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15739, atomId = 7033, opReactId = 2278 rxnConditionsId= 3, smi = [CH3:1]C=CC(=O)C target = 1, prediction = 0.100281833201, rank prediction = 1180 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3584, atomId = 15042, opReactId = 3136 rxnConditionsId= 1, smi = CC1(C(=O)CCC1=O)CCC(=O)[CH2:1]CCc2cccc(c2)OC target = 1, prediction = 0.16546547938, rank prediction = 1243 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.176524686649, rank prediction = 1252 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8379, atomId = 7840, opReactId = 2355 rxnConditionsId= 6, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.177295423417, rank prediction = 1255 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4136, atomId = 15358, opReactId = 3171 rxnConditionsId= 1, smi = CC[NH+:1](CC)C(C)(C)O target = 1, prediction = 0.222636142837, rank prediction = 1282 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.251066779644, rank prediction = 1301 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6355, atomId = 5835, opReactId = 2134 rxnConditionsId= 1, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.364427251407, rank prediction = 1357 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12260, atomId = 1876, opReactId = 1704 rxnConditionsId= 1, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.379293597944, rank prediction = 1365 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7684, atomId = 10963, opReactId = 2731 rxnConditionsId= 1, smi = C[CH2:1][CH+]C target = 1, prediction = 0.396234849976, rank prediction = 1370 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 6046, atomId = 7840, opReactId = 2355 rxnConditionsId= 7, smi = C[CH:1]=C(C)Br target = 1, prediction = 0.462412798849, rank prediction = 1389 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17649, atomId = 1876, opReactId = 1704 rxnConditionsId= 3, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.464983112358, rank prediction = 1390 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7782, atomId = 9887, opReactId = 2586 rxnConditionsId= 1, smi = C[CH:1](C)C(=O)C(C)(C)Br target = 1, prediction = 0.466019606996, rank prediction = 1392 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 1369, atomId = 5835, opReactId = 2134 rxnConditionsId= 3, smi = C[CH:1](C(=C)[O-])Br target = 1, prediction = 0.471589696226, rank prediction = 1394 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12229, atomId = 7948, opReactId = 2369 rxnConditionsId= 3, smi = [Li]O[C:1](CC#N)(c1ccccc1)N(C)C target = 1, prediction = 0.473922871877, rank prediction = 1397 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10313, atomId = 13891, opReactId = 3033 rxnConditionsId= 1, smi = C[C:1](=O)CCC(=C)[O-] target = 1, prediction = 0.511451903851, rank prediction = 1407 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13017, atomId = 4449, opReactId = 1955 rxnConditionsId= 2, smi = C[C:1]#[NH+] target = 1, prediction = 0.523832842081, rank prediction = 1411 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15019, atomId = 5549, opReactId = 2092 rxnConditionsId= 6, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.530111359236, rank prediction = 1414 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17585, atomId = 9817, opReactId = 2579 rxnConditionsId= 3, smi = C[C:1](=O)Cc1ccccn1 target = 1, prediction = 0.563070361245, rank prediction = 1428 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8182, atomId = 7041, opReactId = 2278 rxnConditionsId= 7, smi = CC=CC(=O)[CH3:1] target = 1, prediction = 0.568543923087, rank prediction = 1432 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15769, atomId = 5412, opReactId = 2080 rxnConditionsId= 6, smi = C=[C:1]([O-])Cl target = 1, prediction = 0.572522068903, rank prediction = 1434 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.587381161386, rank prediction = 1442 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.593149690884, rank prediction = 1443 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10149, atomId = 5549, opReactId = 2092 rxnConditionsId= 3, smi = c1c[cH:1]ncc1 target = 1, prediction = 0.604173024498, rank prediction = 1448 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8561, atomId = 8242, opReactId = 2405 rxnConditionsId= 3, smi = C[CH:1](C)C(CC(C(C)C)Br)Br target = 1, prediction = 0.610401396102, rank prediction = 1452 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12259, atomId = 1873, opReactId = 1704 rxnConditionsId= 1, smi = CCO[C:1](=O)C target = 1, prediction = 0.629262549217, rank prediction = 1456 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3601, atomId = 7039, opReactId = 2278 rxnConditionsId= 1, smi = CC=C[C:1](=O)C target = 1, prediction = 0.660617430706, rank prediction = 1468 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18061, atomId = 6372, opReactId = 2194 rxnConditionsId= 1, smi = C=C(CC[CH:1]=O)[O-] target = 1, prediction = 0.664720785849, rank prediction = 1469 isPredictedFilled = False, isPredictedUnfilled = True