Worst predictions : D4H20_un_e126_s5_lowestPos.txt

rAtomId = 4973, atomId = 8565, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=CC#[C:1]1 target = 1, prediction = 0.0539403368067, rank prediction = 1103 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5112, atomId = 12134, opReactId = 2845 rxnConditionsId= 1, smi = c1ccc(cc1)[C:1](=O)Oc2ccccc2 target = 1, prediction = 0.159436080844, rank prediction = 1280 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7936, atomId = 6169, opReactId = 2173 rxnConditionsId= 3, smi = CCOC(=O)C[C:1](=O)C target = 1, prediction = 0.242781556524, rank prediction = 1349 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12388, atomId = 8506, opReactId = 2443 rxnConditionsId= 6, smi = C1=CC#[C:1]N=C1 target = 1, prediction = 0.270386596744, rank prediction = 1365 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4976, atomId = 8564, opReactId = 2440 rxnConditionsId= 6, smi = C1=CN=C[C:1]#C1 target = 1, prediction = 0.321645406927, rank prediction = 1403 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 10579, atomId = 9921, opReactId = 2592 rxnConditionsId= 7, smi = [CH3:1]C(=NC)C target = 1, prediction = 0.328945033632, rank prediction = 1408 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.375781656218, rank prediction = 1440 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13593, atomId = 5512, opReactId = 2084 rxnConditionsId= 7, smi = [CH3:1]c1ccccn1 target = 1, prediction = 0.377739635805, rank prediction = 1442 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12390, atomId = 8505, opReactId = 2443 rxnConditionsId= 6, smi = C1=C[C:1]#CN=C1 target = 1, prediction = 0.404719356461, rank prediction = 1460 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7176, atomId = 13947, opReactId = 3032 rxnConditionsId= 1, smi = [CH3:1]C(=O)CCC(=O)C target = 1, prediction = 0.431373451362, rank prediction = 1471 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18305, atomId = 14140, opReactId = 3049 rxnConditionsId= 1, smi = CCOC(=C[CH:1](c1ccccc1)O)[O-] target = 1, prediction = 0.47041224791, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.475944530792, rank prediction = 1492 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.529491732471, rank prediction = 1518 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2872, atomId = 14984, opReactId = 3129 rxnConditionsId= 1, smi = c1ccc(c(c1)[N+](=O)[O-])[OH:1] target = 1, prediction = 0.536667784068, rank prediction = 1524 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14869, atomId = 13766, opReactId = 3011 rxnConditionsId= 1, smi = C[CH:1]([CH-]C#N)O target = 1, prediction = 0.595326249066, rank prediction = 1543 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 9043, atomId = 14398, opReactId = 3075 rxnConditionsId= 1, smi = C[CH2:1]C=O target = 1, prediction = 0.634007574192, rank prediction = 1553 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2174, atomId = 6264, opReactId = 2184 rxnConditionsId= 3, smi = COC(=O)C1CC[C:1](=O)CC1 target = 1, prediction = 0.639884229465, rank prediction = 1556 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12692, atomId = 5809, opReactId = 2132 rxnConditionsId= 3, smi = CC(=O)CC=[NH+:1]C target = 1, prediction = 0.643855143767, 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 = 0.645879504315, rank prediction = 1559 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2053, atomId = 5934, opReactId = 2147 rxnConditionsId= 1, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.646329845638, rank prediction = 1560 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 = 0.70054053499, rank prediction = 1574 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11840, atomId = 14435, opReactId = 3094 rxnConditionsId= 1, smi = C[C:1](C)([CH-]C#N)O target = 1, prediction = 0.703976970441, rank prediction = 1575 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13372, atomId = 11099, opReactId = 2749 rxnConditionsId= 1, smi = C[CH2:1]C=[N+]1CCCCC1 target = 1, prediction = 0.730629101231, rank prediction = 1584 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7064, atomId = 5934, opReactId = 2147 rxnConditionsId= 3, smi = [CH3:1]C(=O)NC target = 1, prediction = 0.73919581844, rank prediction = 1588 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8729, atomId = 4402, opReactId = 1811 rxnConditionsId= 1, smi = C[C:1](C)(O)Br target = 1, prediction = 0.76063074565, rank prediction = 1597 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11136, atomId = 3577, opReactId = 1851 rxnConditionsId= 1, smi = CCO[CH:1](CCCCCCC(=O)C)[OH2+] target = 1, prediction = 0.785329043365, rank prediction = 1603 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13331, atomId = 8339, opReactId = 2361 rxnConditionsId= 1, smi = CC(=O)C=C(Cc1ccccc1)[OH:1] target = 1, prediction = 0.787164134034, rank prediction = 1604 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7076, atomId = 1789, opReactId = 1524 rxnConditionsId= 1, smi = CCO[C:1](C)([OH2+])O target = 1, prediction = 0.794049901938, rank prediction = 1608 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18786, atomId = 2540, opReactId = 1752 rxnConditionsId= 1, smi = [OH2:1] target = 1, prediction = 0.810959077926, rank prediction = 1613 isPredictedFilled = True, isPredictedUnfilled = True

rAtomId = 16952, atomId = 4831, opReactId = 2009 rxnConditionsId= 1, smi = C(CC(=O)[OH:1])C=O target = 1, prediction = 0.812353125742, rank prediction = 1614 isPredictedFilled = False, isPredictedUnfilled = True