Worst predictions : D4H10_un_e126_s5_lowestPos.txt

rAtomId = 4973, atomId = 8565, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=CC#[C:1]1 target = 1, prediction = 0.109587153549, rank prediction = 1234 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5112, atomId = 12134, opReactId = 2845 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1](=O)Oc2ccccc2 target = 1, prediction = 0.154965267343, rank prediction = 1296 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7936, atomId = 6169, opReactId = 2173 rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C target = 1, prediction = 0.21143408508, rank prediction = 1345 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.216261393585, rank prediction = 1350 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.257762968607, rank prediction = 1382 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4976, atomId = 8564, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=C[C:1]#C1 target = 1, prediction = 0.297142116819, rank prediction = 1415 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.312372361319, rank prediction = 1421 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10579, atomId = 9921, opReactId = 2592 rxnConditionsId= 7, smi = [CH3:1]C(=NC)C target = 1, prediction = 0.322683683489, rank prediction = 1426 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.391865063669, rank prediction = 1467 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7176, atomId = 13947, opReactId = 3032 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC(=O)C target = 1, prediction = 0.448160175036, rank prediction = 1491 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.4524556732, rank prediction = 1494 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.508775446444, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14869, atomId = 13766, opReactId = 3011 rxnConditionsId= 1, smi = C[CH:1]([CH-]C#N)O target = 1, prediction = 0.56069820463, rank prediction = 1536 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129 rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1] target = 1, prediction = 0.566657989789, rank prediction = 1538 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18305, atomId = 14140, opReactId = 3049 rxnConditionsId= 1, smi = CCOC(=C[CH:1](c1ccccc1)O)[O-] target = 1, prediction = 0.580994720803, rank prediction = 1542 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.584042367927, rank prediction = 1545 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.627907547248, rank prediction = 1558 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10297, atomId = 5186, opReactId = 2044 rxnConditionsId= 1, smi = C1CCC2(C(C1)CCC[NH2+:1]2)O target = 1, prediction = 0.632450680522, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.655621272888, rank prediction = 1568 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11840, atomId = 14435, opReactId = 3094 rxnConditionsId= 1, smi = C[C:1](C)([CH-]C#N)O target = 1, prediction = 0.656222055255, rank prediction = 1569 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.662853006418, rank prediction = 1570 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.682640315643, rank prediction = 1579 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15716, atomId = 6721, opReactId = 2225 rxnConditionsId= 3, smi = [Li]O[C:1](CCC(=O)N(C)C)(c1ccccc1)OCC target = 1, prediction = 0.701438063015, rank prediction = 1581 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7064, atomId = 5934, opReactId = 2147 rxnConditionsId= 3, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.722316655725, rank prediction = 1588 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.763904000337, rank prediction = 1599 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 13967, atomId = 2540, opReactId = 1752 rxnConditionsId= 6, smi = [OH2:1] target = 1, prediction = 0.773667977699, rank prediction = 1601 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13331, atomId = 8339, opReactId = 2361 rxnConditionsId= 1, smi = CC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.777111965805, rank prediction = 1602 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16952, atomId = 4831, opReactId = 2009 rxnConditionsId= 1, smi = C(CC(=O)[OH:1])C=O target = 1, prediction = 0.7948535222, rank prediction = 1608 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9904, atomId = 11042, opReactId = 2743 rxnConditionsId= 1, smi = [CH3:1]C(=[N+]1CCCC1)CCCC(=O)OC target = 1, prediction = 0.797414188237, rank prediction = 1609 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8292, atomId = 12337, opReactId = 2892 rxnConditionsId= 1, smi = [NH3+:1]O target = 1, prediction = 0.797523784177, rank prediction = 1610 isPredictedFilled = False, isPredictedUnfilled = True