Worst predictions : D4H20_un_e130_s3_lowestPos.txt

rAtomId = 11351, atomId = 1887, opReactId = 1570 rxnConditionsId= 2, smi = [Br:1]Br target = 1, prediction = 0.00811527242564, rank prediction = 752 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18697, atomId = 1887, opReactId = 1570 rxnConditionsId= 1, smi = [Br:1]Br target = 1, prediction = 0.0164636394387, rank prediction = 886 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13297, atomId = 1887, opReactId = 1570 rxnConditionsId= 8, smi = [Br:1]Br target = 1, prediction = 0.0194124143664, rank prediction = 917 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2364, atomId = 14508, opReactId = 3101 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCCC(=O)OCC target = 1, prediction = 0.142021149195, rank prediction = 1218 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11251, atomId = 13976, opReactId = 3040 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]CCCC(=O)OCC target = 1, prediction = 0.163678893737, rank prediction = 1240 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11350, atomId = 3790, opReactId = 1888 rxnConditionsId= 1, smi = [CH2:1]=CC#[NH+] target = 1, prediction = 0.187903003947, rank prediction = 1261 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12260, atomId = 1876, opReactId = 1704 rxnConditionsId= 1, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.284339932124, rank prediction = 1320 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 18531, atomId = 3497, opReactId = 1869 rxnConditionsId= 1, smi = C[CH2:1][CH+]O target = 1, prediction = 0.311516074433, rank prediction = 1331 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 2783, atomId = 3922, opReactId = 1918 rxnConditionsId= 1, smi = CC(C1(CCC[OH+:1]1)C)Br target = 1, prediction = 0.332414514037, rank prediction = 1342 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8742, atomId = 1321, opReactId = 1660 rxnConditionsId= 1, smi = C[CH2:1][CH+]OC target = 1, prediction = 0.371727440706, rank prediction = 1367 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3442, atomId = 10709, opReactId = 2700 rxnConditionsId= 3, smi = [CH3:1]C[N+](C)(C)CC target = 1, prediction = 0.376665973044, rank prediction = 1369 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7132, atomId = 11984, opReactId = 2841 rxnConditionsId= 1, smi = CC(C(=O)NC(Cc1ccccc1)[C:1](=[OH+])OCc2ccc(cc2)OC)NC(=O)OCC3c4ccccc4-c5c3cccc5 target = 1, prediction = 0.381083628023, rank prediction = 1371 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 8039, atomId = 14015, opReactId = 3046 rxnConditionsId= 1, smi = CCOC(=O)[CH2:1]C(c1ccccc1)O target = 1, prediction = 0.394899116795, rank prediction = 1373 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 16056, atomId = 10088, opReactId = 2602 rxnConditionsId= 1, smi = C[CH2:1]C(=O)C(C)Br target = 1, prediction = 0.395305141795, rank prediction = 1374 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17649, atomId = 1876, opReactId = 1704 rxnConditionsId= 3, smi = CCOC(=O)[CH3:1] target = 1, prediction = 0.405382093798, rank prediction = 1376 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 = 0.433344277022, rank prediction = 1391 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17573, atomId = 6711, opReactId = 2224 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.445016215666, rank prediction = 1399 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13818, atomId = 7066, opReactId = 2266 rxnConditionsId= 3, smi = [CH3:1]C(=O)c1ccc(cc1)I target = 1, prediction = 0.473516832364, rank prediction = 1410 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 14660, atomId = 3268, opReactId = 1824 rxnConditionsId= 1, smi = CCO[C:1](=O)CCC(=O)NC target = 1, prediction = 0.484263656743, rank prediction = 1412 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4271, atomId = 9508, opReactId = 2538 rxnConditionsId= 1, smi = C(C[CH2:1]C=O)CC[O-] target = 1, prediction = 0.523188938501, rank prediction = 1422 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 13834, atomId = 7067, opReactId = 2266 rxnConditionsId= 3, smi = C[C:1](=O)c1ccc(cc1)I target = 1, prediction = 0.533007399164, rank prediction = 1428 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 4845, atomId = 6711, opReactId = 2224 rxnConditionsId= 3, smi = CCO[C:1](=O)CCC(=O)N(C)C target = 1, prediction = 0.572663270985, rank prediction = 1448 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 15505, atomId = 6297, opReactId = 2192 rxnConditionsId= 3, smi = CO[C:1](=O)C1CCC2(CC1)OCCO2 target = 1, prediction = 0.59082611124, rank prediction = 1455 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 12259, atomId = 1873, opReactId = 1704 rxnConditionsId= 1, smi = CCO[C:1](=O)C target = 1, prediction = 0.603024850844, rank prediction = 1463 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 3233, atomId = 7427, opReactId = 2299 rxnConditionsId= 1, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.617408115779, rank prediction = 1467 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 11796, atomId = 6122, opReactId = 2168 rxnConditionsId= 1, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.63562161803, rank prediction = 1472 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 7751, atomId = 7427, opReactId = 2299 rxnConditionsId= 3, smi = CC(CC[O-])[C:1](=O)C target = 1, prediction = 0.704419703522, rank prediction = 1486 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17647, atomId = 1873, opReactId = 1704 rxnConditionsId= 3, smi = CCO[C:1](=O)C target = 1, prediction = 0.716099531863, rank prediction = 1488 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 17055, atomId = 6122, opReactId = 2168 rxnConditionsId= 3, smi = CC([CH2:1]c1ccc(c(c1)F)[N+](=O)[O-])Br target = 1, prediction = 0.726326057941, rank prediction = 1490 isPredictedFilled = False, isPredictedUnfilled = True

rAtomId = 5839, atomId = 5620, opReactId = 2090 rxnConditionsId= 6, smi = c1ccc(cc1)CC(=C[C:1](=O)Cl)[O-] target = 1, prediction = 0.758617013546, rank prediction = 1499 isPredictedFilled = False, isPredictedUnfilled = True