SMILES,Molecule Name,Target Name,Type,label,LF_score,GN_score,DD_score, RMSD_Energy
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C,CHEMBL1201025_active,GCR,Active,1,-6.53825,-4.17,-1.5,-3.042371496692009
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,CHEMBL1676_active,GCR,Active,1,-12.003,-9.58,-0.85,-25.199988276860346
CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl,CHEMBL551816_active,GCR,Active,1,-10.7127,-9.8,-1.78,-15.110527100717434
Oc1ccc2c(c1)CC[C@@H]1C[C@@](O)(C#CCl)CC[C@@]21Cc1ccccc1,CHEMBL77779_active,GCR,Active,1,-11.5382,-3.42,-0.69,-4.276828076357105
CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C,CHEMBL78704_active,GCR,Active,1,-11.8478,-2.91,-3.21,-4.232472436298445
COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3/C=N/O)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL232390_active,GCR,Active,1,-8.14443,-4.22,-2.13,-3.345284671591416
CO/N=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL397920_active,GCR,Active,1,-7.44273,-4.55,-4.14,-3.346896990773568
COc1c(O)ccc2c1C1=C(/C(=C/c3sccc3C(=O)N3CCCCC3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL232573_active,GCR,Active,1,-7.65998,-4.78,-2.35,-3.8076531853544906
COc1c(O)ccc2c1C1=C(/C(=C/c3cc(F)cc4c3OCOC4)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL232376_active,GCR,Active,1,-6.29866,-5.67,-2.09,-3.177174185305613
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,CHEMBL384467_active,GCR,Active,1,-10.6238,-1.66,0.59,-3.613127311917066
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258191_active,GCR,Active,1,-10.3386,-10.63,-1.65,-8.840277736333928
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(=O)N1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL243455_active,GCR,Active,1,-6.12585,-2.77,-2.57,-2.509009975723393
COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C)cc1)C2,CHEMBL270668_active,GCR,Active,1,-11.4539,31.77,-2.09,10.474300473836138
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1C(=O)C1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL243657_active,GCR,Active,1,-7.22357,-3.67,-3.42,-3.0279523317417048
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccsc4)c3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL231974_active,GCR,Active,1,-7.21809,-4.45,-4.42,-3.225052965375588
C=CCC1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL273658_active,GCR,Active,1,-10.8591,-1.76,-1.18,-3.586386442956154
O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCOCC2)C1,CHEMBL257461_active,GCR,Active,1,-8.54267,-3.34,,99.0
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)n3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL232762_active,GCR,Active,1,-7.68502,-4.12,-3.15,-2.9028619355851464
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4cccnc4)c3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL231975_active,GCR,Active,1,-7.24679,-4.34,-1.83,-3.21157369884098
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)C[C@@]21C,CHEMBL220955_active,GCR,Active,1,-7.0557,-3.3,-2.1,-2.9916361382763803
CCCCC(O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,CHEMBL186683_active,GCR,Active,1,-10.3118,-10.37,-0.52,-14.298906112637606
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccsc1,CHEMBL310570_active,GCR,Active,1,-12.0452,-11.91,-1.48,-20.72296702694917
O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CN2CCCCC2)C1,CHEMBL409835_active,GCR,Active,1,-6.3508,-4.56,-1.98,-3.330483567296823
CC(=O)O[C@]1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C,CHEMBL361245_active,GCR,Active,1,-11.134,-1.8,-0.7,-3.874279005967913
COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL231967_active,GCR,Active,1,-6.91284,-2.78,-4.3,-2.6253909942072564
C[C@@]1(C(=O)Nc2nccs2)CC2(C#N)c3ccccc3C1c1ccccc12,CHEMBL473801_active,GCR,Active,1,-10.6807,-4.3,-5.99,-4.671417621711184
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(C)c1)O2,CHEMBL294800_active,GCR,Active,1,-5.27372,-2.09,-3.15,-2.2656926473476755
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccccc1,CHEMBL569544_active,GCR,Active,1,-11.4261,-11.59,-0.52,-20.568456501385427
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccsc1,CHEMBL569044_active,GCR,Active,1,-11.7992,-11.24,-0.85,-19.28623534309055
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCCC3)C2)cc1,CHEMBL429913_active,GCR,Active,1,-6.82383,-2.15,,99.0
C=C[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1C=C,CHEMBL382102_active,GCR,Active,1,-11.1821,-11.53,-0.68,-14.101574739514296
COc1cccc2c1-c1ccc3c(c1C(c1cc(Cl)cc(Cl)c1)O2)C(C)=CC(C)(C)N3,CHEMBL419158_active,GCR,Active,1,-6.45544,-2.79,-2.72,-2.5448988774353523
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(Cc3ccc(F)cc3)C2)cc1,CHEMBL270588_active,GCR,Active,1,-10.7504,8.85,-4.74,-0.6657839880817537
CC12CC(C)(C(=O)Nc3nncs3)C(c3ccccc31)c1ccccc12,CHEMBL514630_active,GCR,Active,1,-10.3774,-6.46,-2.26,-5.386225068016917
C[C@H](NC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1,CHEMBL500897_active,GCR,Active,1,-6.61418,-2.86,-1.48,-3.209050029362982
CC[C@@]12C[C@H](O)[C@H](c3ccccc3)C[C@H]1CCc1cc(O)ccc12,CHEMBL469944_active,GCR,Active,1,-9.98639,-10.03,0.4,-16.993526719027884
CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H]2CCOC2=O)O1,CHEMBL158091_active,GCR,Active,1,-10.66,-2.76,-1.34,-3.5983623740873707
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CN3CCC3)C2)cc1,CHEMBL403179_active,GCR,Active,1,-7.45783,7.54,-3.85,0.0251282499664457
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CCC1CC1,CHEMBL312399_active,GCR,Active,1,-10.9096,-10.67,-0.92,-22.020968320263
COc1c(O)ccc2c1C1=C(/C(=C/c3oc(C)cc3C(=O)N(C)C)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL392091_active,GCR,Active,1,-7.27063,-3.62,-2.77,-2.984210844129902
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(Oc4ccccc4)cc3)C[C@@]21C,CHEMBL222515_active,GCR,Active,1,-7.20098,-3.38,-2.54,-3.0130954482990697
CC[C@@]12C[C@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(OCc3cccnc3C)ccc12,CHEMBL470783_active,GCR,Active,1,-12.426,-11.27,-1.74,-21.70297831085401
CC#C[C@@]1(O)CC[C@@]2(CCC)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL510216_active,GCR,Active,1,-10.0874,-8.69,0.17,-15.975381607303603
Cc1ccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)ncn4C[C@@]32C)s1,CHEMBL572329_active,GCR,Active,1,-11.6887,-3.15,-1.08,-4.535766055294071
CCC1(CC(O)(CNC(=O)c2cnn(-c3ccccc3)c2N)C(F)(F)F)CCCc2ccccc21,CHEMBL394168_active,GCR,Active,1,-10.7174,-11.41,-2.19,-19.644675324107688
CS[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,CHEMBL357651_active,GCR,Active,1,-9.72828,-2.52,-0.13,-3.05167684882697
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(F)cc1,CHEMBL184109_active,GCR,Active,1,-10.973,-12.13,-0.25,-18.0200777277904
Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL258193_active,GCR,Active,1,-10.0222,-10.41,-1.46,-11.597453198694922
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(CC(=O)O)cc4)cc3)C[C@@]21C,CHEMBL440227_active,GCR,Active,1,-8.57678,-3.19,-2.11,-3.985495572160553
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(Oc4ccccc4)c3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL231772_active,GCR,Active,1,-5.76543,-3.33,-3.54,-2.5160711994108094
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCCCC1,CHEMBL572212_active,GCR,Active,1,-11.6961,-10.46,-0.62,-17.32583823482415
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(-c4ccncc4)cc3)C2)cc1,CHEMBL246834_active,GCR,Active,1,-9.74909,-3.14,-3.11,-4.209198557029664
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1cccnc1,CHEMBL583625_active,GCR,Active,1,-10.8789,-11.35,-1.31,-14.464125310895795
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccncc1,CHEMBL566823_active,GCR,Active,1,-10.612,-12.06,-3.77,-13.354463257947868
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCOCC1,CHEMBL572355_active,GCR,Active,1,-10.9878,-10.67,-2.18,-13.703790411717549
CC#C[C@@]1(O)CC[C@@]2(Cc3ccccc3)c3ccc(C(=O)NCc4ccncc4)cc3CC[C@@H]2C1,CHEMBL1090477_active,GCR,Active,1,-12.8235,-9.21,-4.32,-15.60964158768516
CCN(C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl,CHEMBL455662_active,GCR,Active,1,-10.9404,-3.61,-1.26,-5.446083637612714
COc1cccc2c1-c1ccc3c(c1C(C1CCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL337112_active,GCR,Active,1,-9.71374,-2.94,-2.19,-3.6061882504279015
C[C@@H]1CC(C)(C)O[C@@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL195967_active,GCR,Active,1,-9.49399,-2.45,-0.79,-3.050256079873724
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccsc1,CHEMBL411825_active,GCR,Active,1,-10.9102,-11.08,-0.73,-15.92095923869774
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(=O)O)cc2)cc1,CHEMBL190225_active,GCR,Active,1,-7.65217,-5.99,-4.89,-5.634665873128315
CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC)O1,CHEMBL344763_active,GCR,Active,1,-12.5179,-10.37,0.08,-24.193810266987416
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C[C@@H]4C[C@@H](O)CC(=O)O4)cc3)C[C@@]21C,CHEMBL182961_active,GCR,Active,1,-9.83108,-3.15,-4.13,-4.014348409767071
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccccc4)c3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL231770_active,GCR,Active,1,-6.32581,-3.59,-2.48,-2.7457477806787534
CC#C[C@@]1(O)CC[C@@]2(CC)c3ccc(OCc4cccnc4C)cc3CC[C@@H]2C1,CHEMBL457036_active,GCR,Active,1,-11.6885,-10.25,-1.33,-18.595074752050884
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,CHEMBL259820_active,GCR,Active,1,-6.73211,-4.23,-2.42,-2.877745284497605
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc2ccccc2c1,CHEMBL186948_active,GCR,Active,1,-12.7473,-12.56,0.1,-27.54227595716124
Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccccc2)C3)cc1,CHEMBL271263_active,GCR,Active,1,-10.9983,-3.72,-2.84,-4.813650622348508
CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1,CHEMBL559547_active,GCR,Active,1,-9.85076,-10.41,-1.93,-15.06057419828458
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CC1,CHEMBL584522_active,GCR,Active,1,-10.3927,-10.75,-0.47,-17.71436457514106
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccoc1,CHEMBL371376_active,GCR,Active,1,-9.91025,-11.74,-0.11,-20.217956061146136
C/C=C/[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C,CHEMBL444286_active,GCR,Active,1,-11.0033,-11.97,-0.8,-16.728443083749426
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)Nc4ccc(C(=O)O)cc4)cc3)C[C@@]21C,CHEMBL437166_active,GCR,Active,1,-9.0274,-2.23,-2.35,-3.782583891649555
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1,CHEMBL82546_active,GCR,Active,1,-10.9722,-11.47,-0.85,-15.015683764242446
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,CHEMBL216272_active,GCR,Active,1,-5.93468,-5.31,-1.79,-3.473343334520893
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccc(F)cc1O,CHEMBL219207_active,GCR,Active,1,-9.38636,-9.89,-1.32,-13.491995093520236
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)C[C@@]21C,CHEMBL251303_active,GCR,Active,1,-7.2709,-2.92,-3.27,-3.133276370838219
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1coc2ccccc12,CHEMBL236202_active,GCR,Active,1,-10.4976,-3.29,-0.76,-4.192010995440596
O=S(=O)(Nc1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL403178_active,GCR,Active,1,-11.4202,-2.53,-4.33,-4.455864167235007
Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1,CHEMBL519240_active,GCR,Active,1,-9.77516,-4.75,-3.57,-3.536864551120035
CC#C[C@@]1(O)CC[C@@]2(CC)c3ccc(OCc4ccncc4)cc3CC[C@@H]2C1,CHEMBL457035_active,GCR,Active,1,-10.7398,-9.39,-0.6,-15.847805963261823
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1nccs1,CHEMBL569290_active,GCR,Active,1,-11.8452,-4.14,-2.42,-4.591089647986358
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)CCc1ccccc1,CHEMBL186805_active,GCR,Active,1,-11.8006,-11.19,0.21,-18.736416574216747
CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ccc2[nH]ccc2c1,CHEMBL465919_active,GCR,Active,1,-9.22712,-3.86,-1.93,-5.00216018642042
CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CSC2CCOC2=O)O1,CHEMBL302366_active,GCR,Active,1,-11.6743,-3.89,-1.76,-4.612346057282239
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCCC1)C(=O)CO,CHEMBL503848_active,GCR,Active,1,-10.7684,-3.53,-2.86,-4.841386791604474
COc1c(O)ccc2c1C1=C(/C(=C/c3ccccc3-c3ccccc3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL231757_active,GCR,Active,1,-7.51345,-4.11,-3.27,-2.9295306135869525
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCC1)C(=O)CO,CHEMBL525442_active,GCR,Active,1,-6.89133,-6.01,-1.25,-4.365626372575579
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)c2ccccc21)C(F)(F)F,CHEMBL219314_active,GCR,Active,1,-9.89925,-9.24,-2.65,-14.979249024097268
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2,CHEMBL373497_active,GCR,Active,1,-9.59914,-10.61,-0.72,-10.4357108599746
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,CHEMBL196374_active,GCR,Active,1,-9.65141,-10.16,-1.94,-10.204866806523388
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1,CHEMBL247234_active,GCR,Active,1,-8.93559,-3.83,-3.54,-4.270280414397226
C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)ncn3C[C@@]21C,CHEMBL565320_active,GCR,Active,1,-10.7969,-10.52,-0.02,-20.61037891251665
COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(-c4ccccc4)cc3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL437556_active,GCR,Active,1,-5.45522,-2.62,-2.74,-2.406115337618829
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(Cc3ccc(F)cc3)C2)cn1,CHEMBL257079_active,GCR,Active,1,-12.4478,9.81,-4.89,-1.155572594819415
O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1,CHEMBL231399_active,GCR,Active,1,-11.017,-8.45,-2.48,-9.210389508135949
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1csc2ccccc12,CHEMBL233789_active,GCR,Active,1,-11.8193,-3.35,-0.52,-4.562180120887655
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1,CHEMBL364015_active,GCR,Active,1,-11.0255,-11.89,0.24,-18.722867116957847
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F,CHEMBL70381_active,GCR,Active,1,-10.2717,-3.68,-3.06,-4.880287119764267
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)CO,CHEMBL503041_active,GCR,Active,1,-6.62977,-1.99,-1.18,-2.551885965966901
O=C1CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,CHEMBL310180_active,GCR,Active,1,-8.75661,-9.9,-0.48,-8.80409838079661
CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,CHEMBL194745_active,GCR,Active,1,-9.85183,-8.49,-2.5,-9.233636095049178
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccc(F)cc1,CHEMBL233389_active,GCR,Active,1,-10.6884,-11.83,-0.17,-17.116646930666768
CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H]2CCOC2=O)O1,CHEMBL414449_active,GCR,Active,1,-12.7484,-3.38,-0.28,-4.863868625361792
O=c1[nH]c(N2CCCC(c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,CHEMBL231502_active,GCR,Active,1,-9.44668,-6.45,-2.34,-5.476650602017109
COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(F)cc3S(=O)(=O)N3CCCCC3)O2)C2C(C)=CC(C)(C)NC2C=C1,CHEMBL234602_active,GCR,Active,1,-6.88675,-4.42,-3.83,-3.1812411459622485
CN1CCN(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C3)CC1,CHEMBL403334_active,GCR,Active,1,-8.92722,-2.96,-3.73,-3.457951580383684
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccs1)O2,CHEMBL293388_active,GCR,Active,1,-10.285,-3.38,-3.18,-4.238932300227466
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12,CHEMBL195962_active,GCR,Active,1,-11.4379,-4.55,-2.62,-5.593832031815952
Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12,CHEMBL363200_active,GCR,Active,1,-10.01,-8.6,-4.8,-12.712019458744033
CSc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1,CHEMBL555872_active,GCR,Active,1,-6.49822,-3.38,-1.82,-2.822172638261214
CC12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCCC2C(O)c1csc2ccccc12,CHEMBL569543_active,GCR,Active,1,-12.1589,-4.83,-4.68,-5.230998849024044
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cccs1,CHEMBL196347_active,GCR,Active,1,-11.3225,-11.58,-8.45,-15.6723516181005
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F,CHEMBL392501_active,GCR,Active,1,-8.5441,-10.02,-3.05,-13.517428619359157
COc1cccc2c1-c1ccc3c(c1C(Cc1ccccc1)O2)C(C)=CC(C)(C)N3,CHEMBL343135_active,GCR,Active,1,-10.1944,-3.02,-2.2,-3.925673202348856
C[C@@H]1C[C@@H](C)OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,CHEMBL195451_active,GCR,Active,1,-10.5268,-2.87,-1.01,-3.4695631132471805
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@@H](c2ccccc2)O1,CHEMBL196232_active,GCR,Active,1,-11.0982,-11.21,-0.39,-18.583119997690908
C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1,CHEMBL235206_active,GCR,Active,1,-10.0021,-3.18,-1.82,-3.9105964436884575
CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL363137_active,GCR,Active,1,-10.893,-4.51,-2.05,-5.76741113041864
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(N4CCCCC4)cc3)C2)cc1,CHEMBL246835_active,GCR,Active,1,-7.3897,-3.86,-2.22,-3.682404240384313
COc1cccc2c1-c1ccc3c(c1C(C1CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL141524_active,GCR,Active,1,-6.439,-5.32,-3.32,-2.927609276182295
COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@@H](C)C(=O)[C@@H](C)C1)C(F)(F)F,CHEMBL216273_active,GCR,Active,1,-8.7899,-8.86,-3.72,-8.97213363075044
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL404496_active,GCR,Active,1,-9.19549,-9.71,-4.09,-8.890174794632276
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCCC21O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1,CHEMBL193798_active,GCR,Active,1,-6.66776,-3.74,-0.27,-3.200204255481661
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1,CHEMBL195990_active,GCR,Active,1,-11.0473,-2.96,-2.06,-4.143377910636095
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CCC3(Cc3ccc(N4CCOCC4)cc3)C2)cc1,CHEMBL247006_active,GCR,Active,1,-11.1198,-3.79,-4.09,-4.677946982419828
O=S(=O)(Cc1ccccc1)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1086484_active,GCR,Active,1,-11.4321,-11.4,-2.37,-18.318971309143105
CS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1084360_active,GCR,Active,1,-9.79411,-11.81,-2.7,-15.989633612229476
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccsc1)O2,CHEMBL65498_active,GCR,Active,1,-10.1282,-3.42,-0.43,-4.333557626074188
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)Cc1ccc(F)cc1,CHEMBL569100_active,GCR,Active,1,-11.614,-11.58,-0.91,-17.9585017643276
COc1cccc2c1-c1ccc3c(c1C(C1C=CCC1)O2)C(C)=CC(C)(C)N3,CHEMBL47463_active,GCR,Active,1,-10.2412,-3.95,-2.26,-3.884875494175384
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCN3CCCC3)C2)cc1,CHEMBL273143_active,GCR,Active,1,-11.8342,9.95,-3.31,-0.696116488129955
CCCCS(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL402284_active,GCR,Active,1,-10.3854,-3.37,-5.02,-4.911253154590471
CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(Sc2ccccn2)O1,CHEMBL144841_active,GCR,Active,1,-9.81074,-3.72,-0.82,-4.162218574992292
O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1,CHEMBL1082780_active,GCR,Active,1,-11.5502,-11.41,-1.62,-16.552733695349904
CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,CHEMBL1083487_active,GCR,Active,1,-11.4804,-11.34,-0.89,-17.579031798746577
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(C(=O)c2ccccc2)cc1,CHEMBL182842_active,GCR,Active,1,-9.95451,-9.85,-4.87,-9.622016795781583
CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL197161_active,GCR,Active,1,-8.20418,-5.43,-1.79,-4.9082122263466665
OC(c1ccnc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,CHEMBL1094209_active,GCR,Active,1,-9.49839,-10.12,-0.66,-14.616412744246816
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOc2ccccc21)C(F)(F)F,CHEMBL386915_active,GCR,Active,1,-9.38898,-9.03,-3.6,-10.147948251737516
Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(c2ccccc2)C3)cc1,CHEMBL404192_active,GCR,Active,1,-9.69728,14.46,-2.25,1.6430301314551117
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ccc(Oc2ccccc2)cc1,CHEMBL182827_active,GCR,Active,1,-7.79983,-4.78,-1.65,-4.250274446149922
COc1cccc(S(=O)(=O)Nc2ccc(-c3ccc4c(cnn4-c4ccc(F)cc4)c3)c(C(F)(F)F)c2)c1,CHEMBL1084013_active,GCR,Active,1,-12.6498,-11.98,-5.24,-18.571974302590167
Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2cccc(Cl)c2)c1=O,CHEMBL230030_active,GCR,Active,1,-9.51156,-5.87,-3.17,-4.902256028144187
COc1cccc2c1-c1ccc(NS(=O)(=O)c3cccs3)cc1C(c1ccccc1)O2,CHEMBL65570_active,GCR,Active,1,-11.3621,-2.98,-2.46,-4.541874964133158
Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccccn2)C3)cc1,CHEMBL403173_active,GCR,Active,1,-11.8687,-4.01,-2.19,-5.179875394018715
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cc2ccccc2s1,CHEMBL195972_active,GCR,Active,1,-11.9245,-4.49,-1.12,-5.081867156828181
OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cccc(Cl)c1Cl)C(F)(F)F,CHEMBL1094208_active,GCR,Active,1,-10.5709,-4.59,-1.15,-5.014073939173262
CS(=O)(=O)Nc1ccc2c(c1)N(Cc1ccccc1)Cc1ccccc1-2,CHEMBL72182_active,GCR,Active,1,-9.44863,-3.42,-3.73,-4.116133971121375
CCCCCC1Oc2cccc(OC)c2-c2ccc(NS(C)(=O)=O)cc21,CHEMBL442744_active,GCR,Active,1,-10.1929,-3.25,-5.26,-4.633908160223767
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F,CHEMBL392500_active,GCR,Active,1,-9.64174,-9.94,-1.17,-14.748111332270886
COc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1,CHEMBL549778_active,GCR,Active,1,-7.27646,-3.91,-2.67,-3.0143990342733944
Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2cccnc2)C3)cc1,CHEMBL255570_active,GCR,Active,1,-11.4965,-3.72,-3.0,-4.66943695045433
Cc1ccc(C#C[C@]2(O)CC[C@H]3[C@@H]4OCC5=CC(=O)CCC5=C4[C@@H](c4ccc(N(C)C)cc4)C[C@@]32C)cc1,CHEMBL232223_active,GCR,Active,1,-7.45897,-3.97,-1.9,-3.255600585214492
C=C1OC(CC)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C,CHEMBL250425_active,GCR,Active,1,-6.88803,-2.66,-2.52,-2.5956989020053234
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccncc1,CHEMBL365818_active,GCR,Active,1,-11.0214,-11.7,-1.4,-16.071927065150465
CCN(CC(O)(CNc1nc(C)nc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,CHEMBL562337_active,GCR,Active,1,-9.91527,-10.37,-2.61,-16.507031527847747
O=S(=O)(N1CCOCC1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2(Cc2ccc(F)cc2)C1,CHEMBL271853_active,GCR,Active,1,-8.32276,-3.72,-3.38,-4.106290946010027
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccccn1,CHEMBL583859_active,GCR,Active,1,-10.9796,-11.26,0.13,-24.6710993864548
CCN(CC(O)(CNC(=O)c1cnn(-c2ccccc2)c1N)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,CHEMBL564332_active,GCR,Active,1,-9.62413,-8.89,-1.61,-2.986199617604725
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cccc2ccccc12,CHEMBL236201_active,GCR,Active,1,-11.2772,-12.71,-0.69,-16.029350453099205
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12,CHEMBL1393_active,GCR,Active,1,-11.4804,-6.01,-1.87,-5.362367345899494
CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL428011_active,GCR,Active,1,-6.81846,-4.6,-1.12,-3.310984518618901
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F,CHEMBL386916_active,GCR,Active,1,-9.05492,-9.17,-2.37,-12.17905194553669
Cc1cn(CC(O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)cc(C)c1=O,CHEMBL219084_active,GCR,Active,1,-8.65653,-9.58,-1.32,-14.099394036753337
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(S)=N3)c1,CHEMBL28157_active,GCR,Active,1,-10.7216,-10.42,-0.38,-11.65879845226348
Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,CHEMBL132889_active,GCR,Active,1,-10.12,-10.14,-0.39,-14.953281552992395
COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F,CHEMBL375348_active,GCR,Active,1,-9.1588,-9.3,-0.85,-9.569003606966598
CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1cccnc1Cl,CHEMBL481784_active,GCR,Active,1,-9.12332,-4.05,-3.59,-4.851803298596969
CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1ncccc1Cl,CHEMBL520276_active,GCR,Active,1,-9.68325,-9.16,-2.06,-14.28881460681665
Fc1ccc(CC23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(Cc2ccncc2)C3)cc1,CHEMBL429592_active,GCR,Active,1,-11.1341,-3.6,-2.61,-4.595426774544443
Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)CC(C)(C)N2,CHEMBL134260_active,GCR,Active,1,-9.08093,-9.34,-0.16,-8.413602748935041
COc1ccc(F)cc1-c1ccc2c(c1)C(CSCCc1ccccc1)=CC(C)(C)N2,CHEMBL379024_active,GCR,Active,1,-10.0127,-5.02,-3.37,-4.99726682914972
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(C1CCCCC1)O2,CHEMBL303071_active,GCR,Active,1,-10.1269,-4.45,-4.86,-4.47236931070512
O=c1[nH]c(N2CCC(c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,CHEMBL396253_active,GCR,Active,1,-8.82638,-8.79,-1.79,-8.093998440043382
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)CCc1ccccc1,CHEMBL568868_active,GCR,Active,1,-11.4368,-5.61,-2.26,-5.601738922744484
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccc(Oc3ccccc3)c1)O2,CHEMBL66582_active,GCR,Active,1,-5.27828,-3.96,-5.01,-2.886805557749061
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc2ccccc21)C(F)(F)F,CHEMBL373498_active,GCR,Active,1,-8.60385,-9.41,-0.78,-9.48911352731935
O=C1C=C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247235_active,GCR,Active,1,-11.204,-2.61,-4.86,-4.240889247956329
CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#CC(F)(F)F)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL231413_active,GCR,Active,1,-6.40837,-2.85,-1.85,-2.086409071039076
CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccsc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL397191_active,GCR,Active,1,-7.21068,-3.01,-2.13,-2.817873561778641
C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(=O)(OCC)OCC)cc3)C[C@@]12C,CHEMBL400047_active,GCR,Active,1,-6.1428,-1.82,-3.56,-2.428304120469009
CC(C)(CC(O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL427554_active,GCR,Active,1,-9.06548,-4.34,-1.16,-4.484457463249619
C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)OC[C@@]12C,CHEMBL551863_active,GCR,Active,1,-6.55177,-3.17,-2.46,-2.383037112402907
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1ccc(Oc3ccccc3)cc1)O2,CHEMBL64095_active,GCR,Active,1,-5.75788,-2.78,-4.17,-2.5063809699705324
CCn1ncc2c(Cl)c(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cnc21,CHEMBL1093772_active,GCR,Active,1,-9.63954,-7.34,-1.5,-8.029335155735673
O=C1C=C2CCN(S(=O)(=O)c3ccc(N4CCOCC4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247604_active,GCR,Active,1,-10.7194,11.3,-3.88,0.2059016796893894
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ncccc21)C(F)(F)F,CHEMBL219140_active,GCR,Active,1,-9.75314,-9.76,-3.39,-14.01447084523333
Cn1c(=O)[nH]c(N2CCC(Oc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230247_active,GCR,Active,1,-8.70789,-8.86,-2.44,-9.027057432004938
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,CHEMBL197100_active,GCR,Active,1,-11.2466,-7.45,-2.21,-10.772489545788464
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccsc1)Oc1ccc(F)cc1-3,CHEMBL134277_active,GCR,Active,1,-11.9317,-3.84,-2.8,-3.92044166997339
CC1(C(=O)Nc2ncc[nH]2)CC2c3ccccc3C1c1ccccc12,CHEMBL474381_active,GCR,Active,1,-8.97816,-4.57,-0.72,-4.3883841375614
Cn1c(C#N)ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1,CHEMBL239957_active,GCR,Active,1,-9.85342,-9.4,-0.68,-13.380559364554369
Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL436848_active,GCR,Active,1,-9.84252,-3.52,-1.28,-3.313173579568382
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1,CHEMBL1093774_active,GCR,Active,1,-10.4831,-8.83,-3.75,-7.461000011096802
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3,CHEMBL336169_active,GCR,Active,1,-9.56808,-3.98,-2.49,-3.676895739724453
COc1cccc2c1-c1ccc3c(c1C(C1C=CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL264560_active,GCR,Active,1,-6.22689,-4.01,-3.06,-2.603483916070456
CC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL197552_active,GCR,Active,1,-7.42624,-4.06,-2.35,-3.834664220212113
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)c(=O)c(C)c1)C(F)(F)F,CHEMBL219015_active,GCR,Active,1,-8.36685,-8.98,-2.84,-12.09085996933336
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(c1ccco1)OCC(=O)N2,CHEMBL489788_active,GCR,Active,1,-8.74905,-4.03,-1.39,-3.457844181279067
CCCCC[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(=O)CCC3=C21,CHEMBL184313_active,GCR,Active,1,-10.1094,-3.26,-1.3,-4.076052326991884
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(c1ccsc1)OCC(=O)N2,CHEMBL522432_active,GCR,Active,1,-9.78612,-7.06,-0.53,-7.116789567234375
COc1cccc2c1-c1ccc(NS(=O)(=O)c3ccccc3)cc1C(c1ccccc1)O2,CHEMBL65469_active,GCR,Active,1,-11.2195,-2.61,-3.09,-4.488690898996168
CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3,CHEMBL65929_active,GCR,Active,1,-11.4281,-4.09,,99.0
Cn1c(=O)[nH]c(N2CCC(CCc3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230885_active,GCR,Active,1,-9.18894,-6.01,-2.04,-5.19964617441395
O=C1C=C2CCc3cc(O)ccc3[C@]2(Cc2ccccc2)CC1,CHEMBL78646_active,GCR,Active,1,-8.45038,-9.64,-1.44,-7.722171832448633
CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2O)CC2c3ccccc3C1c1ccccc12,CHEMBL514185_active,GCR,Active,1,-8.98056,-3.36,-1.31,-4.085846466495495
O=C1C=C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2(Cc2ccccc2)CC1,CHEMBL247601_active,GCR,Active,1,-9.61531,-2.0,-3.81,-3.4798777505035687
CC12CCC(=O)C=C1CCCC2C(O)c1csc2ccccc12,CHEMBL426262_active,GCR,Active,1,-9.962,-8.69,-1.22,-8.33592502443226
CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccccn3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL429618_active,GCR,Active,1,-6.52352,-3.27,-1.69,-2.836157305221527
CC(C)=C/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL65690_active,GCR,Active,1,-9.43562,-4.18,-3.84,-3.463303931553421
COc1ccccc1-c1ccc2c(c1)C(C(C)OCCc1ccc(Cl)cc1)=CC(C)(C)N2,CHEMBL430004_active,GCR,Active,1,-5.71935,-4.65,-1.7,-3.229587933876956
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,CHEMBL132363_active,GCR,Active,1,-10.8281,-3.76,-4.02,-3.662643932020668
CCC1(c2ccco2)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,CHEMBL501080_active,GCR,Active,1,-10.1029,-4.34,-1.29,-6.395900450739748
C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3,CHEMBL36564_active,GCR,Active,1,-9.8029,-3.47,-3.49,-3.282217714617938
COc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1,CHEMBL1089743_active,GCR,Active,1,-8.24776,-10.02,-4.14,-9.10682221889089
COc1cccc2c1-c1ccc3c(c1C(CC=C1CCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL49694_active,GCR,Active,1,-11.3734,-4.77,-2.4,-4.651534066149311
COc1cccc2c1-c1ccc3c(c1C(CC1=CCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL49632_active,GCR,Active,1,-10.8581,-4.33,-2.91,-4.684012115001227
C/C=C1/C(=O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C,CHEMBL197846_active,GCR,Active,1,-9.6058,-3.85,0.0,-2.555910589352412
Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL230988_active,GCR,Active,1,-8.7542,-5.08,-4.71,-4.555881422628855
COc1cccc2c1-c1ccc3c(c1C(C1C=CCCCCC1)O2)C(C)=CC(C)(C)N3,CHEMBL48308_active,GCR,Active,1,-4.6802,-3.6,-2.03,-2.0306354757924003
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,CHEMBL130141_active,GCR,Active,1,-10.8108,-4.51,-2.79,-3.8173681130453567
CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3ccncc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL232828_active,GCR,Active,1,-6.87655,-4.0,-1.7,-3.223931870292412
CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12,CHEMBL1089350_active,GCR,Active,1,-9.62038,-4.89,-1.97,-5.070549644877173
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3Cc3ccccn3)c2Cl)cc1,CHEMBL1091054_active,GCR,Active,1,-11.5308,-5.55,-1.85,-8.784397699520117
COc1ccccc1-c1ccc2c(c1)C(C(C)OCCCc1ccccc1)=CC(C)(C)N2,CHEMBL228932_active,GCR,Active,1,-9.47161,-4.82,,99.0
CCCC1=C(C(=O)OCC)[C@H](c2ccnc3ccccc23)C(C#N)=C(C)N1,CHEMBL1094797_active,GCR,Active,1,-8.79979,-3.41,-1.1,-3.900531022787032
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F,CHEMBL238044_active,GCR,Active,1,-9.11522,-9.96,-1.92,-13.140360521813111
COc1cccc2c1-c1ccc(NC(=O)c3ccccc3)cc1C(c1ccccc1)O2,CHEMBL302147_active,GCR,Active,1,-10.3656,-3.47,-3.63,-4.624790935042722
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2Cl)cc1,CHEMBL1091439_active,GCR,Active,1,-11.328,-4.03,-4.04,-5.073594928535933
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1,CHEMBL1091440_active,GCR,Active,1,-11.7386,-3.38,-3.12,-4.643287756428525
C=C1CCCCC1C1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,CHEMBL295475_active,GCR,Active,1,-5.27654,-3.81,-1.64,-2.1612228279137526
CCC1c2cc3c(C(F)(F)F)cc(=O)oc3cc2NCC1C,CHEMBL268568_active,GCR,Active,1,-7.76691,-8.96,-0.18,-7.696492572357638
CN(C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C#Cc3cccnc3)[C@@H]3OCC4=CC(=O)CCC4=C32)cc1,CHEMBL232434_active,GCR,Active,1,-6.8633,-4.18,-1.48,-3.188154892468964
COc1ccccc1-c1ccc2c(c1)C(CSC1CCCCC1)=CC(C)(C)N2,CHEMBL381387_active,GCR,Active,1,-10.4427,-9.06,-2.75,-9.299587301086689
COc1ccccc1-c1ccc2c(c1)C(C(C)OCCC1CCCCC1)=CC(C)(C)N2,CHEMBL395051_active,GCR,Active,1,-10.1003,-4.89,-4.0,-5.299591635061001
COc1cccc2c1-c1ccc(NCc3ccccc3)cc1C(c1ccccc1)O2,CHEMBL305393_active,GCR,Active,1,-9.32948,-4.79,-1.8,-4.498057844497986
CS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1-c1ccccc1,CHEMBL71405_active,GCR,Active,1,-9.20958,-3.34,-3.6,-4.2787015144812885
COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1C(c1cccnc1)O2,CHEMBL291610_active,GCR,Active,1,-9.14728,-2.76,-1.06,-3.6193927459951065
Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)CC2C,CHEMBL402362_active,GCR,Active,1,-9.65663,-1.91,-0.41,-2.9708458931886144
CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1,CHEMBL372181_active,GCR,Active,1,-9.64559,-1.04,-2.03,-4.304539129708124
Cn1c(=O)[nH]c(N2CCN(c3ccccc3)CC2)c(Cc2ccccc2)c1=O,CHEMBL438503_active,GCR,Active,1,-9.80627,-8.54,-2.11,-8.42856861444918
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(cnn3C3CCCC3)c2Cl)cc1,CHEMBL1093055_active,GCR,Active,1,-12.1527,-4.05,-3.45,-5.114864705059848
CCOc1ccc(CC2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1,CHEMBL292970_active,GCR,Active,1,-10.9223,-2.44,-3.62,-4.466334299830328
COc1ccccc1-c1ccc2c(c1)C(CSC1CCCC1)=CC(C)(C)N2,CHEMBL205978_active,GCR,Active,1,-9.06326,-9.14,-2.52,-9.708944826289253
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)nc1C)C(F)(F)F,CHEMBL220023_active,GCR,Active,1,-8.66913,-8.56,-3.47,-10.755763888133236
CS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)Oc1cccc(-c3cccs3)c1-2,CHEMBL303094_active,GCR,Active,1,-9.91354,-3.73,-2.33,-4.259357951487129
CC1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,CHEMBL32603_active,GCR,Active,1,-6.10341,-3.82,-2.55,-2.08041928674278
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc(=O)c2ccccc21)C(F)(F)F,CHEMBL219068_active,GCR,Active,1,-8.09432,-9.66,-1.7,-11.99910550658189
CCCC1=C(C(=O)OC)C(c2ccc(F)cc2Cl)C(C#N)=C(C)N1,CHEMBL1215549_active,GCR,Active,1,-8.60336,-3.62,-2.79,-4.14138734453662
CC(C)(CC(O)(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL196929_active,GCR,Active,1,-7.32675,-4.19,-2.5,-3.771054331576182
CC(C)(CC(O)(Cc1ccccn1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,CHEMBL366182_active,GCR,Active,1,-9.18506,-5.33,-2.49,-5.323520319384589
CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3C)cc21,CHEMBL131855_active,GCR,Active,1,-9.2949,-2.95,-0.17,-3.121206506069272
COc1ccccc1-c1ccc2c(c1)C(CSc1ccc(Cl)cc1)=CC(C)(C)N2,CHEMBL205414_active,GCR,Active,1,-10.6896,-5.04,-2.83,-5.630410007997652
CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)C1=O,CHEMBL131681_active,GCR,Active,1,-9.50757,-9.18,-0.04,-9.324517318400789
COc1cc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(O)c(OC)c2)ccc1O,CHEMBL228274_active,GCR,Active,1,-9.96921,-4.48,-1.97,-4.811585053293813
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCCc2ccccc21)C(F)(F)F,CHEMBL218976_active,GCR,Active,1,-9.71427,-9.26,-3.83,-10.07777796834204
COc1ccccc1-c1ccc2c(c1)C(C(C)OC/C=C/c1ccccc1)=CC(C)(C)N2,CHEMBL394344_active,GCR,Active,1,-9.34387,-4.91,-0.66,-5.017978151018617
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S,C02847968_decoy,GCR,Decoy,0,-5.96885,-3.47,,99.0
O=C(COc1ccc(Br)cc1Br)NNC(=O)Nc1ccc(Cl)cc1,C00673692_decoy,GCR,Decoy,0,-11.1487,-6.92,-1.76,-6.920571339332269
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21,C02065637_decoy,GCR,Decoy,0,-9.66428,-7.2,-1.52,-8.6555725666693
CCOc1ccc(CC(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)cc1OCC,C02735559_decoy,GCR,Decoy,0,-11.4346,-3.76,-1.68,-5.931933954192165
CCN(CC)c1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1,C08765886_decoy,GCR,Decoy,0,-12.0897,-3.21,-0.49,-5.564561551728703
CSc1ccc2nc(N3CCN(c4nc5ccc(SC)cc5s4)CC3)sc2c1,C08975718_decoy,GCR,Decoy,0,-13.8767,-3.21,-4.04,-5.001034898458021
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]12,C01101587_decoy,GCR,Decoy,0,-10.6688,-3.66,-1.25,-1.9119599974744488
Cn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CCC3,C03373779_decoy,GCR,Decoy,0,-9.16194,-5.58,-0.68,-6.339578880281873
O=C(c1ccccc1I)N1CCN=C1SCc1c(F)cccc1Cl,C09277420_decoy,GCR,Decoy,0,-9.64856,-8.22,-3.98,-8.763959621281723
Cc1ccc(Cl)c2sc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)nc12,C09544121_decoy,GCR,Decoy,0,-9.30932,-3.18,-2.26,-4.19620521591891
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1,C09693401_decoy,GCR,Decoy,0,-10.2334,-2.24,-2.74,-3.793264778766254
CC1=NC2=C(C(=O)CCC2)[C@H](c2ccccc2Br)C1C(=O)OC1CCCCC1,C09680254_decoy,GCR,Decoy,0,-5.63154,-3.89,-1.1,-2.95994635134712
O=C(c1cccc(Br)c1)N(c1ccc(Br)cc1)[C@H]1C=CS(=O)(=O)C1,C09834017_decoy,GCR,Decoy,0,-10.6422,-3.61,-3.52,-4.714373071335665
Cc1ccc(C)c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Br)cc3s2)c1,C11139318_decoy,GCR,Decoy,0,-10.2124,-3.19,-1.82,-4.607466646207572
Cc1ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Br)cc3)nc2c1C,C11144232_decoy,GCR,Decoy,0,-9.63751,-3.5,-1.96,-4.286763569494874
CC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1[C@H](C)C(=O)c1ccc(Br)cc1,C12407775_decoy,GCR,Decoy,0,-11.1122,-3.91,-3.25,-4.58857155667423
Cc1nn(-c2ccccc2)cc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1,C12560011_decoy,GCR,Decoy,0,-8.01801,-2.88,-5.51,-3.455827535819709
O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCc2ccccc2C1,C01332762_decoy,GCR,Decoy,0,-9.58148,-3.16,-3.17,-4.22249134238688
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21,C02065636_decoy,GCR,Decoy,0,-8.8878,-8.11,-0.72,-10.30493232249825
Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)c(C)c1,C16034357_decoy,GCR,Decoy,0,-4.86947,-3.08,-1.42,-2.1678976931995253
O=C(/C=C/c1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccc(Br)cc1,C16497002_decoy,GCR,Decoy,0,-10.2986,-3.23,-4.54,-4.394153420348668
O=C(CCCc1ccc(Br)s1)N1CCC(c2nc3ccccc3s2)CC1,C17960320_decoy,GCR,Decoy,0,-11.9646,-8.01,-2.57,-8.760062832199345
C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,C19800535_decoy,GCR,Decoy,0,-9.19337,-3.5,-2.08,-4.011243184262639
N#C/C(=C\c1cccc(Cl)c1)S(=O)(=O)c1cc(Br)ccc1Br,C20859878_decoy,GCR,Decoy,0,-10.6238,-8.16,-1.82,-8.753976444273915
C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N1CCc2ccccc21,C21140505_decoy,GCR,Decoy,0,-10.2707,-4.31,-1.33,-5.268569783794177
O=C(c1cc(Br)ccc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1,C22605595_decoy,GCR,Decoy,0,-12.0033,-6.88,-3.54,-8.848174928125598
O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N(Cc1ccco1)Cc1cccs1,C14999693_decoy,GCR,Decoy,0,-11.2103,-6.99,-4.75,-10.611578520972127
O=C(CSc1ccc(Br)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,C25965086_decoy,GCR,Decoy,0,-9.51983,-3.74,-2.06,-4.14535445706096
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,C27017957_decoy,GCR,Decoy,0,-6.7275,-7.36,-1.97,-4.825958210655911
C=CC1=N/C(=N\C(=O)c2ccccc2Br)c2ccccc2CN1/C=C(\C)Br,C27094087_decoy,GCR,Decoy,0,-9.32431,-2.8,-1.74,-3.8531619392625496
O=S1(=O)C[C@@H]2[C@@H](C1)N=C(SCc1ccc(Br)cc1)N2c1ccccc1F,C32640867_decoy,GCR,Decoy,0,-9.87728,-6.81,-2.5,-8.293832416133087
O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccccc3F)[C@@H]2C1,C32640917_decoy,GCR,Decoy,0,-10.7878,-6.11,-1.27,-5.6869298268726105
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1F,C35396134_decoy,GCR,Decoy,0,-6.54201,-3.31,-3.76,-2.908548420115525
Cc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccc(F)c(F)c1,C36167177_decoy,GCR,Decoy,0,-6.4162,-9.85,-2.12,-5.319121126929004
Fc1c(F)c(F)c2c(c1F)[C@H]1C=C[C@@H]2[C@H](Sc2nnnn2-c2ccccc2)[C@H]1Cl,C33907927_decoy,GCR,Decoy,0,-9.53735,-10.65,-0.73,-11.488033304985075
O=C(Cc1cccc2ccccc12)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,C38891568_decoy,GCR,Decoy,0,-11.5965,-4.84,-1.18,-5.2365523254885895
CC1(C)CN(Br)C(=O)N1CC1(C2CCCCC2)CCN(Br)CC1,C39486993_decoy,GCR,Decoy,0,-10.2299,-3.41,-3.33,-4.334345904345665
Cc1ccsc1CN(C(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1,C39909549_decoy,GCR,Decoy,0,-11.7547,-3.76,-0.8,-4.917364229737872
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N(C)Cc3ccc(Br)cc3)C2)c1,C46897759_decoy,GCR,Decoy,0,-9.94553,-3.47,-5.57,-4.408476749630591
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)N(C)Cc3ccc(Br)cc3)C2)c1,C46897762_decoy,GCR,Decoy,0,-8.49037,-3.51,-1.64,-3.8680875773257415
Cc1nccc(C(=O)Oc2c(Br)cc(Br)cc2Br)n1,C48705044_decoy,GCR,Decoy,0,-10.1581,-2.59,-0.82,-3.858662409086616
CN(Cc1ccc(Br)o1)C(=O)c1ccc(Cl)cc1I,C48777573_decoy,GCR,Decoy,0,-8.97854,-8.27,-0.98,-11.310090049795676
O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N1CCN(CC(F)(F)F)CC1,C30135821_decoy,GCR,Decoy,0,-9.76453,-7.5,-1.13,-12.607898590454557
Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1,C24054862_decoy,GCR,Decoy,0,-8.48191,7.93,-0.96,-0.3127201172633123
CCCCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1,C59396551_decoy,GCR,Decoy,0,-10.9874,-8.16,-1.41,-8.326617863722548
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1,C59396992_decoy,GCR,Decoy,0,-12.1938,-2.64,-1.32,-4.9444453823411605
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)SC2=S)cc1,C59417997_decoy,GCR,Decoy,0,-10.7876,-2.95,-0.62,-4.053079652068926
O=C(COc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1)c1ccccc1,C02674001_decoy,GCR,Decoy,0,-9.98888,32.38,-1.35,7.735776507762539
O=C1N=C(/C(Cl)=C/c2cc(Br)ccc2F)N=C2SCC(c3cccs3)=C12,C39946169_decoy,GCR,Decoy,0,-12.0934,23.05,-2.09,3.4213072663123536
CSc1ccc([C@@H]2OC(c3cccc(I)c3)=NN2C(C)=O)cc1,C64819707_decoy,GCR,Decoy,0,-10.2589,-3.27,-1.54,-4.288458603387927
CS(=O)(=O)c1cc(C#N)c(N2CCN(C(=O)c3ccco3)CC2)[nH+]c1-c1ccccc1C(F)(F)F,C01502882_decoy,GCR,Decoy,0,-10.4566,-2.79,-4.35,-4.571054818060517
Cc1cn2c3c(=O)n(CC[NH+]4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1,C08708329_decoy,GCR,Decoy,0,-10.4128,-2.95,-0.71,-4.08574026426087
O=C(CCCN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)N1CCN(c2cccc[nH+]2)CC1,C09151530_decoy,GCR,Decoy,0,-10.2388,-5.45,-1.39,-5.82078595883447
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]21,C09330754_decoy,GCR,Decoy,0,-6.24118,-3.34,-3.4,-2.673345945940959
Cc1ccc(-n2nc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c3c4ccccc4n(C)c3c2=O)cc1,C09682015_decoy,GCR,Decoy,0,-6.85252,-4.05,-5.28,-3.383719679524156
O=C(CCCSc1nc2ccccc2s1)N1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1,C09884490_decoy,GCR,Decoy,0,-12.1421,-5.93,-4.3,-6.81976308246102
Cc1ccccc1N1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(CC[NH+](C)C)C2=O)CC1,C11913533_decoy,GCR,Decoy,0,-6.28672,-2.7,-3.04,-2.8237898400791868
CCn1c(Sc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c23)CCC4)nnc1N1CCOCC1,C12786420_decoy,GCR,Decoy,0,-9.25506,-3.62,-5.51,-3.876510266746916
Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)c1,C09685486_decoy,GCR,Decoy,0,-7.06815,-4.2,-3.45,-3.538293074565378
CCc1cccc(CC)c1-n1c(-c2cccnc2)nn(C[NH+]2CCN(c3ncccn3)CC2)c1=S,C16080514_decoy,GCR,Decoy,0,-11.9781,-3.13,-2.82,-4.954812452317444
CC[NH+]1CCN(C(=O)c2csc(CSc3nnc(-c4ccco4)n3-c3ccccc3F)n2)CC1,C16464370_decoy,GCR,Decoy,0,-10.3842,-3.56,-3.12,-4.834696118872016
C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1c3ccccc3C=C[NH+]1[C@@H]2C(=O)c1ccc([N+](=O)[O-])cc1,C09411177_decoy,GCR,Decoy,0,-6.0657,-3.55,-4.0,-2.810053951432599
C[C@H](c1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)n1-c1ccc(Cl)cc1)[NH+](C)C,C19014143_decoy,GCR,Decoy,0,-10.1064,-5.6,-2.9,-6.987641635736979
O=C1C[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1,C19624880_decoy,GCR,Decoy,0,-10.7842,-6.41,-1.91,-5.763512634360599
O=c1c(Cl)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cnn1-c1ccc(C(F)(F)F)cn1,C22356827_decoy,GCR,Decoy,0,-11.6681,-4.83,-3.5,-4.862755424799726
O=S1(=O)CC[C@H](N2CC[NH+](Cn3nc(-c4sc5ccccc5c4Cl)oc3=S)CC2)C1,C23247970_decoy,GCR,Decoy,0,-12.1089,-2.58,-8.08,-4.142806784765674
Cc1cc(C(=O)CN2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c(C)n1-c1ccc2c(c1)OCO2,C24338643_decoy,GCR,Decoy,0,-7.16022,-7.38,-1.78,-5.034873190365292
O=c1c(Cl)c(Cl)cnn1C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C27508631_decoy,GCR,Decoy,0,-12.1122,-6.03,-5.22,-7.955868435399237
O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2,C30200816_decoy,GCR,Decoy,0,-7.37997,-3.65,-0.42,-3.087168429417184
C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C31583319_decoy,GCR,Decoy,0,-12.0969,-6.42,-15.37,-8.504226273939533
S=c1n(C[NH+]2CCN(Cc3nc(-c4ccsc4)no3)CC2)nc2c(Cl)cc(Cl)cn12,C32935395_decoy,GCR,Decoy,0,-11.5506,-3.55,-2.23,-4.953407092473364
Cc1cc(C)c2c(n1)sc1c(N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)ncnc12,C32986025_decoy,GCR,Decoy,0,-7.86278,-4.2,-1.77,-3.540168591723537
CCn1c(N2CC[NH+](CC)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O,C33479009_decoy,GCR,Decoy,0,-8.44772,-3.02,-3.6,-3.6575050683489447
CCCC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)N2CCCC2)CC(C)(C)OC4)CC1,C34734762_decoy,GCR,Decoy,0,-8.56674,-2.5,-4.61,-3.765538233963608
CCCn1c(N2CC[NH+](CC(=O)N(CC)CC)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3,C34735023_decoy,GCR,Decoy,0,-11.4675,-2.61,-2.67,-4.594724512484467
Cc1ccc(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3CC(=O)N3CC3)CCC5)CC2)c(C)c1,C34747900_decoy,GCR,Decoy,0,-9.22208,-3.66,-4.63,-4.221152247286817
C=CCSc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34750002_decoy,GCR,Decoy,0,-12.2986,-2.26,-1.62,-5.059898782760554
O=C(CC[NH+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,C34830022_decoy,GCR,Decoy,0,-10.6207,-4.8,-2.86,-5.379779498428471
C[NH+](C)CCCN1CCN(C(=O)c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc23)CC1,C35954758_decoy,GCR,Decoy,0,-7.84766,-4.78,-4.61,-4.996121080372692
Cc1cc(C(=O)CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1CCc1ccc(Cl)cc1,C22793742_decoy,GCR,Decoy,0,-9.7173,-7.84,-3.9,-9.732475114477827
CCCn1c(N2CC[NH+](C)CC2)c(/C=C2/SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O,C33812636_decoy,GCR,Decoy,0,-9.35142,-4.01,-1.73,-4.7772858925447
Cc1cc(C)c(S(=O)(=O)N(C[C@H]2CCCO2)C[C@@H]2C=c3cc4c(cc3=[NH+]C2=O)OCCO4)c(C)c1,C39325208_decoy,GCR,Decoy,0,-9.08117,-2.57,-2.16,-4.033820425926237
O=C1N=C(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)N=C2S[C@H]3CCCC3=C12,C39425313_decoy,GCR,Decoy,0,-11.1591,-4.3,-5.02,-5.033784763011882
Cc1cc(C)n(-c2nc(SCCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc(-c3ccccc3)n2)n1,C40850540_decoy,GCR,Decoy,0,-7.92184,-5.35,-2.95,-4.811627500922924
O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2c(Cl)cncc2Cl)CC1)N1CCN(c2cccc[nH+]2)CC1,C38740770_decoy,GCR,Decoy,0,-7.90083,-3.06,-5.61,-3.510333441988468
CSc1nccc(-c2c(-c3cnc4c(ccn4S(=O)(=O)c4ccccc4)c3)[nH+]c(C)n2C)n1,C33359072_decoy,GCR,Decoy,0,-9.76517,-3.19,-3.73,-4.251903342066828
Cc1ccccc1-n1nc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c2c1CCC2,C60105871_decoy,GCR,Decoy,0,-8.66815,-4.22,-2.07,-4.075084503149715
Cc1cc2nc(C)c(CCC(=O)N3CCC[C@H](CN4CCN(c5cccc[nH+]5)CC4)C3)c(C)n2n1,C60274711_decoy,GCR,Decoy,0,-6.86618,-4.2,-1.99,-3.701272967328888
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](c3ccc(Cl)cc3)N2C(=O)CN1CCCN1CCOCC1,C63137042_decoy,GCR,Decoy,0,-5.40899,0.83,-3.88,-1.382954118639504
Cc1ccc(CN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@H]4[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1,C63139476_decoy,GCR,Decoy,0,-5.15152,-6.08,-4.49,-3.300775991212177
COc1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@@H]3C(=O)N(C4CCCCC4)CC(=O)N32)cc(OC)c1OC,C63139725_decoy,GCR,Decoy,0,-7.30015,-2.72,-2.96,-2.883911629730524
Cc1ccc(CN2CC(=O)N3[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63141495_decoy,GCR,Decoy,0,-5.73162,-4.69,-4.76,-3.2997102409436843
COc1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N23)cc(OC)c1OC,C63142022_decoy,GCR,Decoy,0,-6.84824,-3.79,-2.48,-3.49678750562328
CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4cccs4)CC(=O)N32)cc1OC,C63142197_decoy,GCR,Decoy,0,-11.8424,-4.32,-3.11,-5.238989842941691
C[C@]12C(=O)N(CCCN3CCOCC3)CC(=O)N1C[C@@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@H]12,C63363042_decoy,GCR,Decoy,0,-10.7825,-3.2,-2.82,-4.27196677177649
CC1=C(C(=O)CSc2nnc(C3=c4ccccc4=[NH+]C3)o2)C[C@@H](C)N1C[C@@H]1COc2ccccc2O1,C63908280_decoy,GCR,Decoy,0,-11.6395,-3.59,-3.86,-5.141199256859606
O=C(CCC1=c2ccccc2=[NH+]C1)N1CC(=O)N(C2CCCCC2)C[C@@H](OCc2ccncc2)C1,C63980550_decoy,GCR,Decoy,0,-5.8137,-3.45,-3.26,-2.8645194322553005
O=C(c1nn(CCCc2ccccc2)c2c1CN(C(=O)[C@@H]1C=c3ccccc3=[NH+]1)CC2)N1CCOCC1,C63985914_decoy,GCR,Decoy,0,-6.58168,-3.69,-4.19,-3.601751186406216
COCC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccccc3=C2c2ccccc2)C[C@H]1c1ccc2nccnc2c1,C64131287_decoy,GCR,Decoy,0,-6.35179,-3.38,-1.45,-2.7602803279148107
CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)CC4=c5ccccc5=[NH+]C4)CC3)ccc21,C64541298_decoy,GCR,Decoy,0,-10.0086,4.84,-3.45,-2.153178530003076
C[C@H]1CCC[NH+](C(C)(C)C(=O)N2CCC([NH3+])CC2)C1,C32053837_decoy,GCR,Decoy,0,-8.13272,-7.67,-0.7,-7.926689047546108
CC(C)[NH+](C)[C@@H](C[NH3+])c1cc(Br)c2c(c1)OCO2,C36897324_decoy,GCR,Decoy,0,-8.34739,-6.31,-0.95,-7.595245729298866
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1,C38101731_decoy,GCR,Decoy,0,-8.42724,-3.95,-1.11,-4.720062097583452
Nc1ccc(Br)cc1[C@@H]1[NH+]=c2ccccc2=[NH+]C1=O,C39395789_decoy,GCR,Decoy,0,-8.21073,-7.8,-5.24,-6.081063904580432
C[C@H]1CCC[C@@](CNC(=O)[C@@H]2CSC[NH2+]2)([NH+](C)C)C1,C40670485_decoy,GCR,Decoy,0,-8.65826,-6.96,-0.53,-7.240374895455737
CC(C)(C)c1nc(C[NH+]2[C@@H]3CC[C@H]2CC([NH3+])C3)no1,C40750295_decoy,GCR,Decoy,0,-8.37036,-4.35,-0.68,-3.9532051424897072
CCc1cc(N2CCN(c3ccc(N)c[nH+]3)CC2)nc[nH+]1,C40765337_decoy,GCR,Decoy,0,-8.03842,-3.37,-0.91,-3.2601381838029555
CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1,C40829698_decoy,GCR,Decoy,0,-8.85889,-3.58,-2.58,-3.901522548161944
C[C@@H]1CC[C@@H](C)[NH+]1[C@@H](C)C(=O)N1CCC(C[NH3+])CC1,C44512494_decoy,GCR,Decoy,0,-7.75334,-7.33,-0.69,-7.449296189215437
C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1,C44526629_decoy,GCR,Decoy,0,-8.28426,-4.77,-2.48,-4.299492781399253
[NH3+]C[C@H]1CCCC[NH+]1CC(=O)N1CCC[C@H]2CCCC[C@H]21,C44558952_decoy,GCR,Decoy,0,-8.3098,-3.18,-4.49,-3.727876117319501
CC[C@@H]1CO[C@@H](C)CN1[C@]1(C[NH3+])CC[NH+](C(C)C)C1,C45658796_decoy,GCR,Decoy,0,-7.8844,-6.03,-2.32,-7.703099968400897
C[NH+]1CCN([C@H](C[NH3+])c2cc(Br)c(Br)o2)CC1,C50361542_decoy,GCR,Decoy,0,-9.43188,-5.19,-3.1,-5.823063019037312
CCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1,C51793854_decoy,GCR,Decoy,0,-7.96116,-3.06,-1.05,-3.4945096020310102
[NH2+]=C(NC1CCCCC1)N1CCC([NH+]2CCCCC2)CC1,C52045719_decoy,GCR,Decoy,0,-10.1034,-4.08,-0.73,-4.393298103804057
[NH3+]Cc1cn(CC[NH+]2CC[C@@H]3CCCC[C@@H]3C2)nn1,C52482318_decoy,GCR,Decoy,0,-7.84586,-4.77,-0.0,-3.9881159970425113
O=C(C[C@@H]1CCC[NH2+]C1)NC1CC[NH+](C2CC2)CC1,C54307358_decoy,GCR,Decoy,0,-7.71861,-3.84,-0.81,-3.838227494332248
[NH3+][C@@H]1CCCc2nc(N3CC[NH+](C4CCCC4)CC3)sc21,C54896350_decoy,GCR,Decoy,0,-10.0026,-3.44,-0.51,-3.655969114981878
CCc1nc(N2CC[NH+](C3CC3)CC2)sc1C[NH3+],C55002231_decoy,GCR,Decoy,0,-8.77565,-3.36,-0.79,-3.6356798005573774
CC(C)C[NH+]1CCN([C@H]2CC3(CC[C@H]2[NH3+])OCCO3)CC1,C55079003_decoy,GCR,Decoy,0,-8.76449,-2.65,-3.84,-3.606126538423184
[NH3+][C@H]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1,C55088886_decoy,GCR,Decoy,0,-9.20367,-4.36,-0.8,-4.009599129132076
C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1,C55123271_decoy,GCR,Decoy,0,-8.09715,-4.17,-1.4,-3.64696348402362
C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC([NH+](C)C)CC1,C55128231_decoy,GCR,Decoy,0,-8.14797,-2.84,-1.89,-3.313684714572574
CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1,C55129416_decoy,GCR,Decoy,0,-8.33277,-1.85,-0.6,-3.0949103776336724
C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](C)C1,C55131584_decoy,GCR,Decoy,0,-7.70789,-3.84,-0.3,-3.621428600388122
C[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](C)C1,C55131596_decoy,GCR,Decoy,0,-8.07336,-5.36,-1.59,-3.925856713385699
CC[C@@H](C)[NH+]1CCN(C(=O)CC2CCC([NH3+])CC2)CC1,C55131997_decoy,GCR,Decoy,0,-8.34331,-2.97,-0.5,-3.4207298153378667
C[C@H]1[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CCC[C@@H]1[NH3+],C55134918_decoy,GCR,Decoy,0,-8.44362,-2.71,-1.75,-3.509578505536381
C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1,C55134936_decoy,GCR,Decoy,0,-8.4004,-2.85,-2.01,-3.4152156667784004
[NH3+]C[C@H]1CCC[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1,C55161012_decoy,GCR,Decoy,0,-9.19348,-3.75,-0.79,-3.820358227136929
Cc1[nH+]nc(N(C)C2CC[NH+](C)CC2)c(C(N)=S)c1C,C40290945_decoy,GCR,Decoy,0,-8.52559,-7.33,-1.3,-7.653081534196602
Cc1cc(N)c[nH+]c1N1CCN(CC[NH+](C)C)CC1,C61643108_decoy,GCR,Decoy,0,-7.91199,-6.51,-0.5,-9.857237163182605
C[NH+](C)CCN1CC[NH+]([C@@H]2CCCCC[C@@H]2N)CC1,C61643913_decoy,GCR,Decoy,0,-8.29279,-3.51,-2.93,-3.928478255340138
C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C[NH3+])C1,C61656277_decoy,GCR,Decoy,0,-7.90359,-6.95,-1.56,-6.644619987432535
CC(C)(C[NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1,C62032224_decoy,GCR,Decoy,0,-8.15917,-3.6,-0.47,-3.781299971118528
CC(C)C[C@H]1CN(C2CC[NH+](C)CC2)[C@H](CO)C[NH2+]1,C62665153_decoy,GCR,Decoy,0,-7.97177,-2.0,-4.04,-3.02297062064449
CCC1(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)CC[NH2+]CC1,C62848770_decoy,GCR,Decoy,0,-8.14613,-7.52,-1.16,-8.657268922091776
[NH3+]C1CCC(CCC(=O)N2CCC[NH+]3CCC[C@@H]3C2)CC1,C62943677_decoy,GCR,Decoy,0,-8.70838,-4.29,-0.52,-3.920633815106218
[NH3+]C[C@@H]1CCC[C@H](C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1,C62943690_decoy,GCR,Decoy,0,-9.14697,-3.18,-1.74,-3.6968708585937833
C[C@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CC[C@H](N3CCOCC3)C2)C1,C62978158_decoy,GCR,Decoy,0,-8.89136,-2.87,-0.6,-3.5060236631340183
C[C@@H]1CC[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)C[C@@H]1[NH3+],C63125885_decoy,GCR,Decoy,0,-8.41134,-3.06,-1.9,-3.4405078611231144
CN1[C@@H](SCC2[NH+]=c3ccccc3=[NH+]2)NN[C@@H]1c1cnccn1,C63165448_decoy,GCR,Decoy,0,-7.05,-4.24,-2.03,-3.772238211068287
O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NC1CCCC1,C63199646_decoy,GCR,Decoy,0,-8.4817,-3.8,-0.34,-3.797303612988546
C[NH+]1c2ccccc2N[C@H]1NCC1=c2ccccc2=[NH+]C1,C63205592_decoy,GCR,Decoy,0,-7.87105,-7.59,-5.79,-7.66522004171309
C[C@@H]1N[C@H](C)[C@H](C(=O)NCCC2[NH+]=c3ccccc3=[NH+]2)S1,C63363125_decoy,GCR,Decoy,0,-7.38329,-8.0,-0.68,-7.82605905661812
N[C@H]1[C@H](C2[NH+]=c3ccccc3=[NH+]2)SC(=S)N1c1ccccc1,C63416513_decoy,GCR,Decoy,0,-9.12194,-4.89,-2.37,-4.461176562555329
CC(=O)N(C(C)C)[C@@H]1N[C@H](C)[C@H](C(=O)NC2[NH+]=c3ccccc3=[NH+]2)S1,C63831892_decoy,GCR,Decoy,0,-5.3164,-3.11,-2.8,-2.8190046157799102
Nc1ccccc1-c1nc(-c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cs1,C64175218_decoy,GCR,Decoy,0,-9.13349,-9.97,-0.78,-9.924233453315464
c1ccc2c(c1)S[C@H]1NN[C@@H](SCC3[NH+]=c4ccccc4=[NH+]3)N21,C65042663_decoy,GCR,Decoy,0,-8.85701,-9.28,-2.49,-7.948157279470962
CC1=c2cc(Cl)ccc2=[NH+][C@H]1[C@H]1NCCc2[nH]c[nH+]c21,C65436339_decoy,GCR,Decoy,0,-8.48143,-8.7,-0.24,-8.373060575460828
C[C@H]1C[C@@H](O[C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC(C)(C)C1,C20510547_decoy,GCR,Decoy,0,-9.3671,-7.46,-0.89,-9.449394093169412
Cc1ccc([C@@H]([NH3+])c2cc3c(cc2Br)OCCCO3)o1,C35382074_decoy,GCR,Decoy,0,-8.45415,-7.54,0.14,-16.62103029637175
CN(C)c1nc2cc(C[NH3+])cc(I)c2o1,C36056257_decoy,GCR,Decoy,0,-7.12319,-6.69,-2.53,-3.6688436949403256
CC[NH+]1CCC2(CC1)CC(=O)c1cc(N)c(C)c(C)c1O2,C36142884_decoy,GCR,Decoy,0,-8.53194,-3.37,-0.48,-3.051410730310153
Cc1ccc(N)c2[nH+]c(-c3ccc(OC(C)C)cc3)cn12,C36243712_decoy,GCR,Decoy,0,-7.65822,10.96,-0.87,1.474114642223015
O=C(NC[C@@H]1C[NH2+]CCO1)C12CC3CC(CC(C3)C1)C2,C36285463_decoy,GCR,Decoy,0,-8.51477,-7.96,-0.08,-8.727662288708713
Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c(C)c1C,C36296932_decoy,GCR,Decoy,0,-8.61714,-7.66,-1.57,-8.95039394611425
[NH3+][C@@H](c1noc(C2CC2)n1)c1c(Cl)cccc1Cl,C36764283_decoy,GCR,Decoy,0,-7.33713,-3.44,,99.0
[NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc(Br)cn3C3CC3)C[C@@H]2C1,C36857919_decoy,GCR,Decoy,0,-9.57727,-7.86,-1.94,-8.129855801201849
Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1c(C)n[nH]c1C,C37118588_decoy,GCR,Decoy,0,-7.91879,-7.79,-0.5,-8.225186410976573
C[NH+](Cc1cc2c(cc1N)OCCO2)[C@@H]1CCSC1,C37174092_decoy,GCR,Decoy,0,-8.5758,-6.7,-4.01,-7.074129798495934
O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCCOc2cc(Br)ccc21,C37282841_decoy,GCR,Decoy,0,-9.44459,-7.62,-0.53,-7.917840126112132
CC(C)c1nc([C@@H]([NH3+])c2cc(Cl)cc(Cl)c2)no1,C37425133_decoy,GCR,Decoy,0,-8.53882,-6.46,-0.36,-5.827566401380303
O=C(N[C@@H]1CC[NH+]2CCC[C@H]12)c1cc(Br)c[nH]1,C37503623_decoy,GCR,Decoy,0,-7.36036,-3.77,-0.6,-3.638459306731248
O=C(Nc1cc(Cl)ccc1Cl)N1CCC[NH2+]CC1,C37991158_decoy,GCR,Decoy,0,-8.07569,-4.43,-3.75,-4.054578427006338
[NH3+][C@@H](c1ccc2c(c1)CCCO2)c1ccc2c(c1)OCO2,C38057706_decoy,GCR,Decoy,0,-8.31707,-8.86,-0.15,-6.952694881233723
C[C@]12CN3C[C@](C)(C[NH+](C1)[C@@]3(C)c1cccc(N)c1)C2=O,C19330021_decoy,GCR,Decoy,0,-8.19059,-8.54,-0.31,-10.193965912766762
C[NH+](C)C1CCN(C(=O)c2cc(N)c(Cl)c(Cl)c2)CC1,C40305011_decoy,GCR,Decoy,0,-8.6265,-2.46,-0.72,-3.0845160461878085
Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1,C40332098_decoy,GCR,Decoy,0,-9.03677,-3.43,-0.37,-3.816814270604395
Cc1sc2ncnc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1C,C40746381_decoy,GCR,Decoy,0,-9.00344,-8.02,-1.37,-8.131134534254715
CCc1cc2c(N3[C@@H]4CC[C@H]3CC([NH3+])C4)ncnc2s1,C40750580_decoy,GCR,Decoy,0,-8.88695,-8.22,-0.83,-7.45620474803414
[NH3+][C@H](c1ccc2c(c1)OCCCO2)c1nc2c(s1)CCC2,C41183748_decoy,GCR,Decoy,0,-9.33137,-4.95,-0.65,-4.11202892321332
[NH3+][C@H](c1ccccc1)c1nc2c(s1)CS(=O)(=O)CC2,C42332526_decoy,GCR,Decoy,0,-9.24041,7.57,,99.0
Cc1sc2nc(C[NH+]3C[C@H](C)C[C@H](C)C3)nc(N)c2c1C,C49933637_decoy,GCR,Decoy,0,-9.15992,-8.42,,99.0
Cn1c(=O)oc2cc([C@H]([NH3+])c3ccc(Br)cc3Cl)ccc21,C51361863_decoy,GCR,Decoy,0,-10.0288,-7.77,-1.26,-8.233421366732406
Cn1c(=O)oc2cc([C@@H]([NH3+])c3ccc(Br)c(F)c3)ccc21,C51361882_decoy,GCR,Decoy,0,-9.22135,-8.09,-1.13,-7.887596609190592
Cc1ccsc1[C@@H]([NH3+])c1ccc2c(c1)n(C)c(=O)n2C,C51392340_decoy,GCR,Decoy,0,-8.80936,-6.93,-0.61,-6.858043803633039
[NH3+]Cc1ccc(Oc2ccc(Br)cc2)nn1,C51547076_decoy,GCR,Decoy,0,-7.78219,-7.28,-1.67,-7.109962151158004
C[NH+]1CCC[C@@H](n2c(C(C)(C)C)nc3cc(N)ccc32)C1,C52853679_decoy,GCR,Decoy,0,-7.93605,-3.79,-0.78,-3.555956270074389
C[NH+]1CCC[C@H](n2c(C(C)(C)C)nc3cc(N)ccc32)C1,C52853680_decoy,GCR,Decoy,0,-7.93934,-3.87,-0.56,-3.545183265599184
CC(C)c1nc2cc(N)ccc2n1CC1CC[NH+](C)CC1,C52855103_decoy,GCR,Decoy,0,-8.31228,-7.55,-1.38,-11.348765617346103
CN(C(=O)c1ccc(Br)c(N)c1)[C@@H]1CCC[NH+](C)C1,C53205209_decoy,GCR,Decoy,0,-8.2096,-3.69,-0.83,-3.376076624882196
Cc1sc2ncnc(N3C[C@H](C[NH3+])CC[C@@H]3C)c2c1C,C53704386_decoy,GCR,Decoy,0,-9.02527,-7.88,-0.88,-8.333183547026549
CC[C@H](C)[NH+]1CCN(c2ccc(N)c3ncccc23)CC1,C55066594_decoy,GCR,Decoy,0,-8.25939,-1.49,-0.58,-2.7736201664519937
[NH3+]C1CCC(CCC(=O)N2CCO[C@H]3CCC[C@@H]32)CC1,C55137672_decoy,GCR,Decoy,0,-8.3231,-8.23,-1.2,-7.815821965308454
C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)c1ccc(C)nc1C,C55330571_decoy,GCR,Decoy,0,-8.01463,-7.45,-0.19,-7.388198469432061
Cc1cc2nc(-c3ccccn3)n([C@H](C)C[NH3+])c2cc1C,C57802203_decoy,GCR,Decoy,0,-7.6909,-3.19,-1.75,-3.3172658938369417
[NH3+][C@@H]1CCCN(Cc2cc3c(cc2Br)OCCO3)C1,C41029112_decoy,GCR,Decoy,0,-8.58777,-3.48,-1.12,-3.4838270439936587
[NH3+][C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCCO3)C1,C41029656_decoy,GCR,Decoy,0,-9.0679,-3.76,-2.79,-3.703936223202992
Cc1ccc([C@@H](C)[NH2+][C@H]2C(=O)Nc3c2ccc(C)c3C)o1,C42075862_decoy,GCR,Decoy,0,-8.71756,-8.27,-5.03,-8.536271247799785
Cc1nn([C@@H]2C[NH+]3CCC2CC3)c(N)c1I,C43669280_decoy,GCR,Decoy,0,-7.72699,-5.88,-1.19,-6.469392302961965
C[C@@H]1CN(c2[nH+]c3c(cc2C(N)=S)CCCC3)CCCO1,C61932638_decoy,GCR,Decoy,0,-9.56065,-4.15,-4.73,-4.077402435651863
Cc1ccc2c(c1C)OC(C)(C)[C@H]([NH+](C)CCO)[C@@H]2O,C62179243_decoy,GCR,Decoy,0,-7.34583,-2.24,0.01,-2.949606740684366
[NH3+]C[C@@H]1CCCCC[C@H]1N1CC[C@H](N2CCOCC2)C1,C62978154_decoy,GCR,Decoy,0,-9.19601,-3.38,-0.75,-3.928706473785149
C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCCC[C@@H]1[C@@H](C)[NH3+],C63194571_decoy,GCR,Decoy,0,-7.92789,-6.71,-3.07,-8.946945015255027
C[C@@H]([NH3+])[C@H]1CCCCN1[C@@H](C)C(=O)N1CCCCCC1,C63196155_decoy,GCR,Decoy,0,-7.83018,-7.62,-1.55,-7.829663110653372
O=C(c1cc(Cl)c[nH]1)N1CCC([C@@H]2CCC[NH2+]2)CC1,C63199165_decoy,GCR,Decoy,0,-7.63231,-3.9,-4.51,-3.4891753325355204
O=C([O-])[C@@H]1CC2=c3ccccc3=[NH+][C@H]2C2(CCCCC2)[NH2+]1,C63221308_decoy,GCR,Decoy,0,-8.1249,-8.79,-0.59,-7.438703484369464
O=C1N[C@H](C2=c3ccccc3=[NH+]C2)NC2=C1[C@H]1CCCC[C@@H]1S2,C63326757_decoy,GCR,Decoy,0,-8.91074,-0.9,-1.61,-3.990548927928923
Cc1cc(C)cc(N2CCC3(CC2)NCCc2[nH]c[nH+]c23)c1,C65470399_decoy,GCR,Decoy,0,-8.34913,-5.92,-4.49,-5.29849182835955
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1,C02848012_decoy,GCR,Decoy,0,-11.593,-6.01,-3.53,-7.968332286707009
O=C(c1sc2cccc(Cl)c2c1Cl)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1,C04167744_decoy,GCR,Decoy,0,-11.9042,-3.37,-3.93,-4.976114574947505
CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CCC3,C00870831_decoy,GCR,Decoy,0,-10.2464,-3.98,-0.94,-4.868100273279167
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1,C08821469_decoy,GCR,Decoy,0,-11.5133,-7.98,-6.0,-8.29619411929157
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1c2ccccc2CCc2ccccc21,C00912704_decoy,GCR,Decoy,0,-11.9103,-10.19,-3.67,-9.49315822412051
CCn1c(SCC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CCCC3,C00854237_decoy,GCR,Decoy,0,-10.86,-6.83,-2.25,-2.548023575507288
CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,C02367492_decoy,GCR,Decoy,0,-9.13104,-4.62,-3.59,-4.351625117660454
O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)c1ccc(Cl)cc1,C02720025_decoy,GCR,Decoy,0,-7.26971,-3.29,-3.75,-3.06115020198408
O=C(CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1)c1ccccc1,C02908703_decoy,GCR,Decoy,0,-10.7248,-3.03,-3.41,-4.285555198292062
O=C1CS[C@@H](c2ccc([C@@H]3SCC(=O)N3c3ccccc3F)cc2)N1c1ccccc1F,C02949827_decoy,GCR,Decoy,0,-12.1038,-2.48,-4.78,-4.5114826665348895
CSc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Br)cc3)nc12,C10528627_decoy,GCR,Decoy,0,-9.80978,-4.36,-2.49,-4.73606888477295
CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc(Br)c3)nc12,C10821922_decoy,GCR,Decoy,0,-11.6552,-3.62,-1.98,-5.126028880258594
CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Br)cc3)sc2c1,C10832662_decoy,GCR,Decoy,0,-11.4679,-1.87,-6.24,-4.442859132506815
O=C(c1ccccc1I)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1,C10884620_decoy,GCR,Decoy,0,-10.082,-3.63,-3.63,-4.36045196700221
CSc1ccc2nc(N3CCN(C(=O)CSc4ccc(Cl)cc4)CC3)sc2c1,C12495180_decoy,GCR,Decoy,0,-12.4467,-4.04,-2.85,-5.096331391307859
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N1CCN(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)CC1,C16247223_decoy,GCR,Decoy,0,-12.5773,-3.28,-1.61,-5.532448377014361
Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2cccc(F)c2)cc1,C16499759_decoy,GCR,Decoy,0,-11.1928,-2.92,-5.27,-4.675739314161144
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1,C16501194_decoy,GCR,Decoy,0,-5.48619,-5.58,-2.66,-4.00481409672755
CCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccc(F)cc2)C2CC2)cc1,C16504890_decoy,GCR,Decoy,0,-9.28167,-2.46,-1.07,-4.235053477672263
CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)CCl,C16528271_decoy,GCR,Decoy,0,-11.9307,-5.4,-2.06,-8.963003347271908
CCCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C1CC1,C16528513_decoy,GCR,Decoy,0,-10.8188,-5.24,-2.58,-9.55239319225816
O=C(C1CCC1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C1CC1,C16528552_decoy,GCR,Decoy,0,-10.0027,-3.35,-3.21,-4.575599329658639
CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)[C@H](C)Cl,C16528915_decoy,GCR,Decoy,0,-11.6318,-2.23,-2.95,-4.624042736804107
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)C1CCC1,C16529043_decoy,GCR,Decoy,0,-11.9601,-4.2,-2.3,-5.813374261037467
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2C)CC(C)C)cc1,C16529083_decoy,GCR,Decoy,0,-10.0455,-3.65,-1.46,-4.861448170198364
C=CCN1C(=O)/C(=C2/C(=O)N(CCCCC)c3ccc(Br)cc32)SC1=S,C16731942_decoy,GCR,Decoy,0,-10.431,-1.96,-1.81,-4.1040127561137005
CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1,C16757984_decoy,GCR,Decoy,0,-11.1438,-4.51,-3.49,-5.38862570700653
O=C(Cn1nc(-c2ccc(Br)cc2)n(-c2ccccc2)c1=S)c1ccccc1,C16769226_decoy,GCR,Decoy,0,-10.2375,-3.71,-5.14,-4.788420903418966
CN1CCc2nc(SCC(=O)c3ccc(Br)cc3)c(C#N)c(-c3ccccc3)c2C1,C15229183_decoy,GCR,Decoy,0,-11.6829,-2.73,-4.6,-4.567966044651044
O=C1CS[C@H](c2ccc([C@@H]3SCC(=O)N3c3ccccc3F)cc2)N1c1ccccc1F,C02949832_decoy,GCR,Decoy,0,-11.2512,-4.07,-3.44,-5.065005282083504
Brc1ccc(-c2nnc(COc3cccc(I)c3)o2)cc1,C20890358_decoy,GCR,Decoy,0,-10.6285,-7.66,-1.33,-8.320831144388109
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)c1ccc(I)cc1,C22982336_decoy,GCR,Decoy,0,-9.82647,-3.83,-0.99,-4.775480080979468
CCn1c(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccc(Br)cc2c1=O,C23565074_decoy,GCR,Decoy,0,-9.39354,-6.28,-2.87,-9.55348086268963
Cc1nc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)n(C2CCCC2)c1C,C24829020_decoy,GCR,Decoy,0,-11.5142,-7.6,-4.97,-9.55988335240226
Cc1sc2ncnc(SCC(=O)N3CCc4sccc4[C@H]3c3ccccc3)c2c1C,C25897003_decoy,GCR,Decoy,0,-10.6334,-2.14,-10.27,-3.9940952889455694
Cc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1Cl,C26712859_decoy,GCR,Decoy,0,-11.5695,-5.82,-2.07,-13.002453996013726
Cc1ccc(N2C(SCc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1,C32640878_decoy,GCR,Decoy,0,-11.0853,-3.53,-1.33,-4.711509300114122
O=C([C@H]1C[C@H]1c1ccccc1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1,C33366082_decoy,GCR,Decoy,0,-8.80442,-3.1,-1.54,-3.9597222698296783
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(C)cc1,C35768142_decoy,GCR,Decoy,0,-6.53852,-5.2,-4.43,-3.8170107605850654
Cc1ccc(C2=NN(C(=O)CSC(=S)N3CCSCC3)[C@@H](c3ccccc3)C2)cc1C,C38244956_decoy,GCR,Decoy,0,-11.8455,-3.06,-2.89,-4.8644293174935
O=C(Cc1c(F)cccc1Cl)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1,C38516979_decoy,GCR,Decoy,0,-12.7444,-3.86,-4.49,-5.1445927482869465
Cc1cc(Br)c2c(c1)C(=O)C(=O)N2CCCOc1ccc(Br)cc1,C39289001_decoy,GCR,Decoy,0,-8.6491,-3.31,-1.21,-3.903939157662392
CC[C@]1(C)CN(F)C(=O)N1CC1(C2CCCCC2)CCN(I)CC1,C39487247_decoy,GCR,Decoy,0,-9.3266,-4.13,-1.8,-4.17308366590472
Cc1ccccc1Cn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21,C40256624_decoy,GCR,Decoy,0,-10.1775,-4.04,-2.64,-4.410919500703931
CCN(Cc1ccc(Br)s1)S(=O)(=O)c1cc(Br)cnc1Cl,C41066270_decoy,GCR,Decoy,0,-9.79829,-7.13,-1.52,-9.39544203278568
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(Br)cn2)CC1,C46710078_decoy,GCR,Decoy,0,-11.1584,-3.21,-2.14,-4.89774372671603
O=C(CCSc1ccc(Cl)cc1)N1CCC(Oc2nc3c(F)cccc3s2)CC1,C49432550_decoy,GCR,Decoy,0,-11.4121,-7.34,-1.35,-8.127732277754255
O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,C58666612_decoy,GCR,Decoy,0,-8.38018,-3.69,-2.54,-3.752299675616893
O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,C58666613_decoy,GCR,Decoy,0,-5.89162,-4.55,-1.51,-3.0277435818507312
O=C(CSc1nc(-c2ccc(Br)cc2)cs1)c1cc2ccccc2oc1=O,C59217719_decoy,GCR,Decoy,0,-10.1643,-8.44,-1.08,-8.901319534002265
CC1=CC(C)(C)N(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c2cc(C)ccc21,C01153020_decoy,GCR,Decoy,0,-5.1156,-3.48,-4.04,-2.814017421854755
Cc1ccc(OCCn2cc(C(=S)N3CCOCC3)c3cc(Br)ccc32)cc1,C08450545_decoy,GCR,Decoy,0,-9.10481,-3.19,-4.13,-3.97028448387273
Cc1ccc(C(=O)Cn2cnc3sc(C)c(-c4ccc(Br)cc4)c3c2=O)cc1,C08799098_decoy,GCR,Decoy,0,-11.3098,-2.98,-0.84,-4.692846430719768
CC(C)=CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl,C09060611_decoy,GCR,Decoy,0,-10.7138,-4.37,-1.55,-9.094117066493732
CC(=O)Oc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1,C09311168_decoy,GCR,Decoy,0,-10.232,-4.33,-3.98,-4.891862939583251
O=C(CSc1ccc(Cl)cc1)N1CCN(c2nc3ccc(Br)cc3s2)CC1,C09541836_decoy,GCR,Decoy,0,-12.1164,-3.84,-1.46,-5.0339455439146175
CSc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3Cl)nc12,C10528655_decoy,GCR,Decoy,0,-11.037,-3.63,-4.18,-4.917038147417393
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cccc(Br)c3)sc2c1,C10832690_decoy,GCR,Decoy,0,-11.1756,-3.22,-2.71,-5.033915439879729
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccccc3Br)sc2c1,C10832721_decoy,GCR,Decoy,0,-10.6264,-2.81,-1.26,-4.781918087180597
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(Br)s3)sc2c1,C10832961_decoy,GCR,Decoy,0,-11.9411,-2.74,-3.31,-5.2996008856519286
O=C(c1ccc(Br)s1)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1,C11139572_decoy,GCR,Decoy,0,-9.92984,-3.72,-1.44,-4.635310724070884
Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(Br)cc4)c(=O)c23)c(C)c1,C11991137_decoy,GCR,Decoy,0,-11.0932,-2.81,-2.42,-4.237553741787518
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccc(Br)cc2c1=O,C12379109_decoy,GCR,Decoy,0,-10.1335,-3.83,-1.36,-4.7001532512221535
O=C(CN1C(=O)CN=C(c2cccs2)c2c1sc1c2CCCC1)c1cccc(Cl)c1,C01329330_decoy,GCR,Decoy,0,-11.4522,-4.42,-1.25,-4.865628970165613
O=C(CSc1ccccc1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1,C09294018_decoy,GCR,Decoy,0,-10.746,-5.09,-1.77,-5.463709818398799
CCn1c(SCC(=O)c2ccccc2)nc2ccc(I)cc2c1=O,C02222807_decoy,GCR,Decoy,0,-9.10845,-4.37,-2.01,-4.617352686138028
O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1,C15881793_decoy,GCR,Decoy,0,-11.5502,-3.01,-1.09,-4.743452206427454
O=C(Oc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)c1ccccc1Cl,C02822262_decoy,GCR,Decoy,0,-11.7768,-9.76,-5.01,-8.996753397738596
COC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)c(Br)c1,C16285998_decoy,GCR,Decoy,0,-6.91544,-2.74,-1.57,-2.647450442910428
O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)SCCN2C(=O)C1CCCC1,C16494224_decoy,GCR,Decoy,0,-11.0013,-3.69,-4.65,-4.649404287813398
Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc(F)cc2)cc1,C16499655_decoy,GCR,Decoy,0,-10.8382,-3.44,-3.55,-4.991941618575263
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(=O)c1cccs1,C16501073_decoy,GCR,Decoy,0,-9.99656,-4.58,-2.08,-9.119495507925834
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[C@H](C)Cl,C16529063_decoy,GCR,Decoy,0,-11.3765,-2.49,-2.83,-4.791553710083502
CCCCCN1C(=O)/C(=C2\SC(=S)N(C(C)C)C2=O)c2cc(Br)ccc21,C16731934_decoy,GCR,Decoy,0,-7.33328,-2.19,-3.82,-2.77949930635551
Cc1cc(-c2nnc(SCc3ccc(Br)cc3)n2C[C@@H]2CCCO2)cs1,C20352952_decoy,GCR,Decoy,0,-12.0869,-2.25,-4.47,-4.556477177162304
Cc1ccccc1CN1C(=O)/C(=C\c2ccc(C(=O)N3CCCC3)cc2)Sc2ccccc21,C03063263_decoy,GCR,Decoy,0,-9.97753,-2.19,-3.91,-3.8879955188075352
C[C@H](c1ccccc1)N1C(c2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)N=C1c1ccco1,C21030835_decoy,GCR,Decoy,0,-7.31179,-2.94,-1.65,-3.1858084808769767
O=C(c1ccc(Br)o1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C22831854_decoy,GCR,Decoy,0,-9.52791,-3.64,-2.05,-4.491351770705185
O=C(/C=C/c1sc2ccccc2c1Cl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,C14897154_decoy,GCR,Decoy,0,-11.0704,-1.24,-3.14,-4.343136037624699
Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Br)cc3)CC2=O)c1,C27792587_decoy,GCR,Decoy,0,-6.76289,-3.92,-4.45,-3.034326034407599
Cc1ccc(N2C(SCc3ccc(Cl)c(Cl)c3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C,C32640796_decoy,GCR,Decoy,0,-10.7175,-6.75,-3.34,-7.80254200463174
CN1/C(=C\C(=O)COC(=O)c2ccccc2I)C(C)(C)c2ccccc21,C17721601_decoy,GCR,Decoy,0,-9.69306,-3.62,-4.76,-4.445973376815041
CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1,C32984421_decoy,GCR,Decoy,0,-5.558,-4.03,-3.38,-2.9694060439231333
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccccc1,C33305394_decoy,GCR,Decoy,0,-11.2953,-2.77,-5.51,-4.531794447151021
O=C(CSC(=S)N1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1,C33814626_decoy,GCR,Decoy,0,-11.5326,-3.96,-3.22,-5.385679727825763
CC[C@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S,C34256065_decoy,GCR,Decoy,0,-8.61286,-2.57,-3.29,-3.4659636769911826
O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)SCCN2C(=O)C1CCCCC1,C16490899_decoy,GCR,Decoy,0,-8.8239,-3.92,-4.95,-4.091763017812972
O=Cc1cc(Br)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1,C35668624_decoy,GCR,Decoy,0,-9.96145,-7.49,-0.84,-8.28534765097423
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl,C35768138_decoy,GCR,Decoy,0,-6.36917,-3.58,-1.56,-2.9964781253061017
O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1Cl,C38586447_decoy,GCR,Decoy,0,-9.71692,-3.66,-2.25,-4.086090362133154
CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(Cc3c(F)cccc3Cl)c12,C39556543_decoy,GCR,Decoy,0,-9.25796,-3.62,-3.56,-4.338703276383895
CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1,C39909116_decoy,GCR,Decoy,0,-11.6321,-3.12,-2.82,-5.035513211147055
C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCc2ccccc21,C44085765_decoy,GCR,Decoy,0,-9.22218,-4.02,-3.85,-4.615869169382317
O=C(/C=C/c1cccc(Br)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1,C45500920_decoy,GCR,Decoy,0,-9.73133,-3.94,-0.87,-4.216758819647127
O=C(CCSc1ccc(F)cc1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1,C49432861_decoy,GCR,Decoy,0,-12.2192,-5.46,-2.76,-5.834476461915438
Cc1cc(OCC(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)ccc1Cl,C57317266_decoy,GCR,Decoy,0,-9.64149,-3.38,-3.37,-3.933813153717303
Clc1ccc(CSc2nncn2/N=C/c2ccccc2I)cc1,C57485339_decoy,GCR,Decoy,0,-9.73127,-7.3,-1.56,-6.874071940421965
CC(=O)N(c1nc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cs1)c1ccc(F)cc1F,C15188851_decoy,GCR,Decoy,0,-11.7577,-4.67,-5.17,-5.56203542849475
O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,C58666614_decoy,GCR,Decoy,0,-11.2045,-3.1,-3.21,-4.294130843108597
CN(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1,C59333644_decoy,GCR,Decoy,0,-9.77022,-0.29,-4.02,-4.71533501024248
Cc1ccccc1C(=S)Nc1sc2c(c1C(=S)N1CCOCC1)CCCC2,C00709895_decoy,GCR,Decoy,0,-10.0401,-4.1,-3.6,-4.6109981970832825
O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,C02370451_decoy,GCR,Decoy,0,-10.2573,-3.6,-4.61,-4.731596980535191
O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1cccs1,C08445908_decoy,GCR,Decoy,0,-11.1683,-5.03,-1.97,-5.537655508857066
CSc1sc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1C=CCC2,C08637217_decoy,GCR,Decoy,0,-9.81091,-4.13,-5.22,-4.509093332401415
CSc1sc(C(=O)N/N=C/c2cccs2)c2c1C1(CCC2)SCCS1,C02153635_decoy,GCR,Decoy,0,-12.4059,-6.42,-4.04,-7.749357412042996
Cc1cc(SCC(=O)N/N=C/c2ccc(F)c(F)c2)c(C)cc1Br,C03231879_decoy,GCR,Decoy,0,-9.90433,-7.58,-0.8,-6.79211519038365
COc1cccc(/N=C/c2cc(I)cc(I)c2O)c1,C08826569_decoy,GCR,Decoy,0,-9.31862,-6.93,-1.38,-6.903987505427417
C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12,C09355415_decoy,GCR,Decoy,0,-3.69314,-4.72,-3.86,-2.4168452069080826
O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1cc(Cl)cc(Cl)c1,C09778962_decoy,GCR,Decoy,0,-10.4153,-7.04,-2.54,-8.799878924419222
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)c(C)c1,C09404951_decoy,GCR,Decoy,0,-11.0634,-3.62,-4.84,-4.476178406467708
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(Br)cc1,C03092423_decoy,GCR,Decoy,0,-10.6942,-8.05,-0.82,-9.62348788189346
Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1,C12486308_decoy,GCR,Decoy,0,-10.76,-3.42,-2.21,-4.470560063564663
Oc1ccc(/N=C/c2ccccc2Br)cc1/N=C/c1ccccc1Br,C03241329_decoy,GCR,Decoy,0,-11.7232,-9.4,-5.45,-8.841210014768787
O=C(Cc1ccc(Br)cc1)Nc1ccccc1-c1nc2ccccc2s1,C12766995_decoy,GCR,Decoy,0,-9.45589,-8.12,-3.16,-9.045105417638863
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CSc1c2c(nc3ccc(Cl)cc13)CCCC2,C04923794_decoy,GCR,Decoy,0,-10.5672,-6.52,-1.59,-5.731524421193028
Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1Cl,C13989424_decoy,GCR,Decoy,0,-11.2645,-2.76,-1.73,-4.723118241834601
CCN(C(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21)c1ccccc1,C14477276_decoy,GCR,Decoy,0,-10.4742,13.73,-4.28,0.4695831904186573
O=C(Nc1ccc(Br)cc1Cl)c1cc(Br)c(Br)s1,C14785137_decoy,GCR,Decoy,0,-11.257,-5.88,-1.15,-7.118269223205813
O=C(N/N=C/[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2[C@@H]2C[C@H]1[C@@]1(F)C(F)(F)C(F)(F)C21F)c1ccc(Cl)cc1,C16400775_decoy,GCR,Decoy,0,-10.021,-4.39,-0.65,-2.019028119603357
CC(C)c1cc(Br)cc2sc(NC(=O)[C@H](Br)C(C)C)nc12,C20133396_decoy,GCR,Decoy,0,-10.8465,-7.26,-3.91,-8.300875416442041
CC(C)c1cc(Br)cc2sc(NC(=O)[C@@H](Br)C(C)C)nc12,C20133398_decoy,GCR,Decoy,0,-10.8699,-7.63,-4.3,-8.470363095510585
COC(C)(C)C[C@@H](C)Nc1c(Br)cc(Br)cc1Br,C20524821_decoy,GCR,Decoy,0,-10.0661,-6.24,-1.29,-9.92835263190644
Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1Br,C21222881_decoy,GCR,Decoy,0,-12.1524,-1.18,-2.22,-3.6003693840651367
C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1c(F)cc(Br)cc1Br,C21303475_decoy,GCR,Decoy,0,-10.527,-4.3,-1.52,-4.975645931309812
O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(Br)s1,C22615274_decoy,GCR,Decoy,0,-10.0858,-7.13,-2.54,-10.60841362082318
O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(Br)ccc1O,C01952947_decoy,GCR,Decoy,0,-11.137,-4.53,-3.58,-5.017189979555281
O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N[C@H]1CCC[C@@H](C(F)(F)F)C1,C27836922_decoy,GCR,Decoy,0,-10.4919,-9.81,-1.11,-8.883910394754919
Cc1c(C)n(C)c2ccc(C(=O)Nc3c(F)cc(Br)cc3Br)cc12,C27976625_decoy,GCR,Decoy,0,-11.0246,-2.6,-0.8,-4.085778359981198
Clc1ccc(-c2csc(N/N=C\c3cccc(Br)c3)n2)c(Cl)c1,C31854535_decoy,GCR,Decoy,0,-11.1393,-8.66,-1.2,-7.9565593634951775
O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1,C33660725_decoy,GCR,Decoy,0,-11.1112,-6.24,,99.0
O=C(Nc1ccc(OC(F)F)cc1)c1cc(Br)ccc1I,C36739131_decoy,GCR,Decoy,0,-9.01416,-8.53,-1.65,-16.28012890981429
COc1ccc(OC)c([C@H](C)Nc2cc(Br)ccc2Br)c1,C37121784_decoy,GCR,Decoy,0,-9.12462,-7.33,-4.6,-8.197328567173692
Brc1cc(Br)c(NCc2cnc3ccccc3n2)c(Br)c1,C37248763_decoy,GCR,Decoy,0,-10.5573,-7.87,-0.96,-8.02894519516617
Oc1c(I)cc(I)cc1-c1nc2ccccc2s1,C37300762_decoy,GCR,Decoy,0,-10.0177,-3.16,-4.02,-3.335512723135451
C[C@@H](Nc1ccc(I)cc1Cl)c1ccc(OCC#N)cc1,C37313695_decoy,GCR,Decoy,0,-9.70924,-8.05,-0.6,-9.104242812929868
O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc(Br)s1,C40217024_decoy,GCR,Decoy,0,-10.853,-4.16,-4.74,-5.091689045799127
Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2C(C)C)c(Cl)c1,C40943990_decoy,GCR,Decoy,0,-9.9913,-7.78,-1.03,-8.727455894042656
C#CCOc1ccc(Br)cc1CNc1cc(Br)ccc1Br,C41650003_decoy,GCR,Decoy,0,-11.0296,-2.23,-1.79,-4.055086433426592
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Br)c3)NC(=O)CCN21,C04000116_decoy,GCR,Decoy,0,-10.6266,-3.26,-1.27,-3.9793338903479785
C[C@H]1CCC[C@]2(CS/C(=N\c3cc(Br)ccc3Br)N2)C1,C53100404_decoy,GCR,Decoy,0,-10.5467,-7.94,-3.27,-9.528999058336108
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)c(C)c3)o2)cc1Cl,C17097202_decoy,GCR,Decoy,0,-11.4392,11.62,-1.88,0.063902154755839
O=C(CSc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1,C59107161_decoy,GCR,Decoy,0,-10.6576,-8.92,-2.03,-8.467050250415712
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CNc1ccc(Br)cc1,C59377195_decoy,GCR,Decoy,0,-10.9145,-7.86,-2.14,-8.567374038724289
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=S)N1CNc1ccc(Cl)cc1,C59382181_decoy,GCR,Decoy,0,-10.5335,-8.29,-1.13,-8.779921502909506
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(N2CCCCC2)c(Cl)c1,C59400147_decoy,GCR,Decoy,0,-12.2262,-2.47,-6.19,-4.313724653156784
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1Br,C59566994_decoy,GCR,Decoy,0,-9.96446,-5.2,-0.62,-4.721826738169757
O=C(Nc1ccccc1)c1c(/N=C/c2cccc(Cl)c2Cl)sc2c1CCCC2,C59676474_decoy,GCR,Decoy,0,-9.25058,-4.92,-2.33,-4.689362079292756
Brc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1,C59678715_decoy,GCR,Decoy,0,-10.2228,-9.78,-0.99,-9.19535170409806
N#C[C@H](C(=O)Nc1c(Br)cc(Br)cc1Br)c1ccccc1,C61614339_decoy,GCR,Decoy,0,-11.0409,-6.4,-1.22,-11.565592146576682
CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc(Br)cc4)[nH]c(=O)c23)C1,C65002148_decoy,GCR,Decoy,0,-10.7199,-2.1,-0.28,-3.672758251173015
Cc1ccc(C(c2ccc(C)o2)c2cc(Br)ccc2O)o1,C03846767_decoy,GCR,Decoy,0,-8.84353,-4.34,-1.11,-4.570014549959465
c1ccc2c(c1)Cc1ccc(-c3csc(NC[C@H]4CCCO4)n3)cc1-2,C02647242_decoy,GCR,Decoy,0,-11.2611,-9.13,-1.23,-11.274539359948
Oc1csc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1,C01395308_decoy,GCR,Decoy,0,-11.1274,-3.88,-2.29,-4.557958852049957
Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccccc2)c(C)c1,C04223665_decoy,GCR,Decoy,0,-9.48667,-9.29,-2.26,-14.312421452771424
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCS[C@H]1c1cccs1,C00699924_decoy,GCR,Decoy,0,-8.60373,-5.07,-0.9,-6.1020843561589775
N#Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc2c1CCCC2,C04651304_decoy,GCR,Decoy,0,-10.0908,-5.11,-1.66,-4.883090427514632
CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1,C00833875_decoy,GCR,Decoy,0,-10.3666,-3.45,-4.21,-4.000152518746913
CC(/C=C1\SC(=S)N(Nc2ccccc2)C1=O)=C\c1ccccc1,C05032929_decoy,GCR,Decoy,0,-9.03416,-3.4,-0.85,-3.972922869385816
COc1cc(/C=C/c2ccc3ccccc3n2)cc(Br)c1O,C05127928_decoy,GCR,Decoy,0,-9.7504,-4.85,-1.97,-4.282243842899296
CN(C)C(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl,C03130902_decoy,GCR,Decoy,0,-8.68277,-6.01,-1.67,-7.375556263150913
Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)c(C)c1,C05617140_decoy,GCR,Decoy,0,-9.36867,-7.81,-1.99,-8.026169331264647
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)cc1,C05719396_decoy,GCR,Decoy,0,-9.22134,-4.59,-1.58,-5.241684659636682
CSc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1,C05695678_decoy,GCR,Decoy,0,-11.0036,-4.36,-0.66,-4.8609958836401885
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2c(s1)CCCC2,C01974176_decoy,GCR,Decoy,0,-10.7457,24.63,-1.5,4.905334724228787
O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1nc2c(s1)CCCC2,C06224809_decoy,GCR,Decoy,0,-9.24586,-4.89,-0.83,-4.917201982311166
Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1,C06386504_decoy,GCR,Decoy,0,-7.81581,-7.65,-1.27,-7.123232579835976
CCCn1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C(C)(C)CC)C3,C06482235_decoy,GCR,Decoy,0,-10.6509,-3.11,-0.45,-4.358160066707868
O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccccc2)nc2ccccc12,C06787314_decoy,GCR,Decoy,0,-9.38545,-4.25,-3.7,-4.472969972361473
CCN1CCSc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc21,C06802599_decoy,GCR,Decoy,0,-8.98239,-2.8,-1.19,-3.674125393370348
CC(=C/c1ccccc1)/C=C1\SC(=S)N(Nc2ccccc2)C1=O,C01251572_decoy,GCR,Decoy,0,-10.5811,-8.47,-0.78,-7.716108183219924
Clc1cccc(Cl)c1CN/N=C/c1ccc(Br)o1,C09195469_decoy,GCR,Decoy,0,-8.82864,-6.09,-1.4,-7.13557212399335
C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F,C12786225_decoy,GCR,Decoy,0,-8.2137,-4.77,-1.92,-4.473871812705785
CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCC1,C12998371_decoy,GCR,Decoy,0,-9.08709,-6.45,-0.8,-7.800748748140337
C[C@@]12CC[C@H]3C[C@]1(C(=O)NCCC14CC5CC(CC(C5)C1)C4)OC[C@]32C,C15822440_decoy,GCR,Decoy,0,-9.6647,-6.27,-1.0,-7.169389525576388
Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccccc3F)C2)c1,C20908310_decoy,GCR,Decoy,0,-9.92202,-9.34,-1.09,-9.386865590360236
CCc1ccccc1-n1c(CC23CC4CC(CC(C4)C2)C3)n[nH]c1=S,C06243735_decoy,GCR,Decoy,0,-10.0012,-8.58,-3.61,-9.646918892815862
FC(F)Oc1c(Br)cc(Cl)cc1NC1CCOCC1,C36989667_decoy,GCR,Decoy,0,-8.51571,-7.09,-2.45,-7.756655038600987
Cc1ccc(NCc2cc(Cl)c3c(c2)OCO3)c(Br)c1,C37324474_decoy,GCR,Decoy,0,-9.04484,-7.44,-0.53,-8.924166869209536
COc1c(Br)cc(Cl)cc1NCc1ccc(Cl)o1,C37508329_decoy,GCR,Decoy,0,-9.04078,-3.45,-2.26,-4.012286610991988
O=C(N/N=C1\CCCc2ccccc21)C(c1ccccc1)c1ccccc1,C00672331_decoy,GCR,Decoy,0,-10.1067,-8.35,-2.21,-12.50866716932808
C[C@@H](Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)s1,C38002904_decoy,GCR,Decoy,0,-9.40581,-7.76,-1.01,-7.868231038628873
Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(Br)c1,C39581307_decoy,GCR,Decoy,0,-8.86783,-8.58,-1.87,-9.483146840279009
O[C@H]1C/C(=C\c2ccccc2)c2c(c(C(F)(F)F)nn2-c2ccccc2)C1,C43464227_decoy,GCR,Decoy,0,-9.49625,-2.38,-2.21,-3.287575676720333
CC(C)[C@H](C#N)C(=O)Nc1ccc(Br)cc1Br,C44825184_decoy,GCR,Decoy,0,-8.17472,-6.56,-1.26,-8.17923409872073
C[C@H](c1cccs1)N(C)C(=O)NCc1ccc(Br)s1,C46995161_decoy,GCR,Decoy,0,-10.3692,-6.82,-0.17,-7.222361622433535
Cc1ccc(Br)cc1NC(=O)N(C)[C@@H](C)c1cccs1,C47570878_decoy,GCR,Decoy,0,-8.93718,-6.47,-3.08,-9.447579506033868
Cc1cc(NC(=O)N(C)[C@@H](C)c2cccs2)ccc1Br,C48507550_decoy,GCR,Decoy,0,-8.54044,-4.59,-2.34,-4.26394303822416
C=C(C)CN(CC)C(=O)c1[nH]c2ccc(Br)cc2c1Cl,C49033237_decoy,GCR,Decoy,0,-8.91013,-7.96,-0.44,-14.742521092681388
CN(C(=O)Nc1ccc(Br)cc1Cl)C(C1CC1)C1CC1,C51585128_decoy,GCR,Decoy,0,-8.68375,-7.44,-0.75,-11.558829933479142
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(Br)cc2)C1,C13477443_decoy,GCR,Decoy,0,-9.15605,-3.25,-0.5,-5.324548401751101
O=C(Nc1ccccc1SC(F)F)N1CCC[C@@H]1c1ccccc1,C43552439_decoy,GCR,Decoy,0,-7.97633,-3.74,-1.09,-3.819797131201231
N#Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1,C59119763_decoy,GCR,Decoy,0,-9.75677,-3.54,-0.89,-4.1373356916934325
CC(C)(C)NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1,C59400320_decoy,GCR,Decoy,0,-8.9728,-3.51,-6.08,-4.241177076606372
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(F)c(F)cc1Cl,C59461500_decoy,GCR,Decoy,0,-8.75734,-7.75,-0.69,-6.920950538628674
CCc1ccsc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1,C60351579_decoy,GCR,Decoy,0,-9.64211,-8.06,-2.08,-9.002887290569745
Clc1ccc(Br)cc1NC1CCC2(CC1)OCCO2,C61690799_decoy,GCR,Decoy,0,-9.2296,-7.79,-0.61,-10.517885653207628
O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NC1CCCC1,C64657642_decoy,GCR,Decoy,0,-9.83746,-3.92,-1.8,-4.458248954016141
C[C@@H](NC(=O)c1ccc(Cl)nc1Cl)c1ccc(F)c(Cl)c1,C64935300_decoy,GCR,Decoy,0,-9.39712,-2.7,-3.59,-3.9122843273698216
O=C(Nc1cccc(N2CCCCC2)c1)c1cc(F)c(F)cc1Cl,C55356287_decoy,GCR,Decoy,0,-9.52911,-9.31,-2.93,-9.27389500884765
O=C(Nc1cccc(SC(F)F)c1)c1nc(Cl)ccc1Cl,C66554879_decoy,GCR,Decoy,0,-9.01271,-3.08,-1.18,-3.7731336600672174
Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(Br)c1,C00940116_decoy,GCR,Decoy,0,-8.61502,-9.27,-4.05,-11.547985288293855
CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CC(C)(C)CC3=O)cc1,C00677596_decoy,GCR,Decoy,0,-10.2596,-3.48,-3.27,-4.263755386314249
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F,C04390370_decoy,GCR,Decoy,0,-8.63281,-3.51,-2.73,-3.713299872159906
Brc1ccc(C2=C[C@H](c3cccs3)n3c(nc4ccccc43)N2)s1,C02914908_decoy,GCR,Decoy,0,-10.4105,-1.3,-3.46,-4.743255359597671
Clc1ccc(Cl)c(/N=N/Nc2ccc(I)cc2)c1,C04737366_decoy,GCR,Decoy,0,-9.16309,-6.41,-4.18,-8.166352942466402
CCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1,C02818465_decoy,GCR,Decoy,0,-9.55631,-3.62,-1.82,-4.15866239663831
Clc1cccc(/C=N/Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1,C05008130_decoy,GCR,Decoy,0,-10.9023,-5.95,-1.7,-5.531770143979766
O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc(F)c1,C05046808_decoy,GCR,Decoy,0,-10.4356,5.99,-1.32,-1.470427416587274
Cc1ccc(-c2c(NC(=O)Cc3cccs3)sc3ccccc3c2=O)cc1,C05245168_decoy,GCR,Decoy,0,-9.68946,-4.79,-2.41,-4.738559500462684
O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccccc1Cl,C05550955_decoy,GCR,Decoy,0,-10.5372,-7.48,-1.34,-6.4469041008652015
O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(Cl)cc1,C05551014_decoy,GCR,Decoy,0,-9.69918,-3.68,-0.44,-4.081165432570937
O=S1(=O)c2ccccc2N[C@@H](c2ccc3ccccc3c2)C[C@H]1c1ccccc1F,C01622406_decoy,GCR,Decoy,0,-10.1109,-4.13,-1.67,-3.895395987699168
O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1cc(Cl)sc1Cl,C06320782_decoy,GCR,Decoy,0,-11.2868,-1.91,-2.05,-4.541025013353404
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1cccc(Br)c1,C04085024_decoy,GCR,Decoy,0,-10.2523,-9.7,-0.82,-9.70132233103987
O=C(Cc1ccc2c(c1)CCC2)Nc1ccccc1-c1nc2ccccc2s1,C07781426_decoy,GCR,Decoy,0,-9.77158,-6.66,-4.73,-5.543927411369978
O=C(Oc1cccc2c(O)cccc12)c1cc(Br)ccc1Br,C00642773_decoy,GCR,Decoy,0,-10.0891,-9.39,-3.82,-9.06618510536604
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1,C08566936_decoy,GCR,Decoy,0,-9.24373,-7.1,-1.41,-8.218350549749108
Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(=O)[C@@H]32)cc1,C06898043_decoy,GCR,Decoy,0,-9.9435,-4.81,-3.6,-4.280414822639903
Cc1cc(C)c(-c2c(Nc3ccc(Br)c(C)c3)c(=O)c2=O)cc1C,C09224744_decoy,GCR,Decoy,0,-10.0119,-2.55,-1.53,-3.704849825227001
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2,C09805690_decoy,GCR,Decoy,0,-10.8446,-2.82,-0.87,-4.179092346110158
Brc1ccc(CSC2=Nc3cccnc3Nc3ccccc32)cc1,C09854460_decoy,GCR,Decoy,0,-9.58094,-7.23,-2.36,-8.676649055099569
O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1,C10695026_decoy,GCR,Decoy,0,-10.4962,-4.3,-4.18,-4.550113975046668
Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1cccc(Cl)c1Cl,C12551499_decoy,GCR,Decoy,0,-11.3608,-2.51,-1.67,-4.033936225649845
O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccc(Cl)s2)nc2ccccc12,C03265630_decoy,GCR,Decoy,0,-10.3069,-6.15,-2.97,-7.184521505627664
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1Br,C14017099_decoy,GCR,Decoy,0,-9.47565,-7.08,-2.33,-5.325231707688298
Clc1cccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1Cl,C14477162_decoy,GCR,Decoy,0,-11.9008,-4.07,-4.4,-4.961353029923223
Clc1ccc([C@@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)c(Cl)c1,C14477815_decoy,GCR,Decoy,0,-11.1435,-5.04,-0.97,-5.203317504070059
Cc1cccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1,C14480387_decoy,GCR,Decoy,0,-9.92516,-1.52,-4.54,-3.3528853732401056
CC(=O)N(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549079_decoy,GCR,Decoy,0,-11.0126,-2.62,-0.7,-3.799396258048469
O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(Br)cc1,C19201811_decoy,GCR,Decoy,0,-10.4318,-2.41,-1.48,-3.454833769087699
CCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1,C20132528_decoy,GCR,Decoy,0,-10.2725,8.67,-1.97,-0.6945829610699261
CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Br)cc2)S1,C20353484_decoy,GCR,Decoy,0,-9.70384,-4.35,-0.85,-4.818365010600351
CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)cc1,C21715613_decoy,GCR,Decoy,0,-10.5177,-2.61,-2.82,-4.254894266332923
Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCC3)c(C)c1,C04553647_decoy,GCR,Decoy,0,-7.15368,-4.21,-4.89,-3.464517268572469
O=C1NC(=N\c2cccc(C(F)(F)F)c2)/C(=C/c2ccc(Cl)cc2)S1,C32597704_decoy,GCR,Decoy,0,-9.08581,-4.45,-2.32,-3.9421462135097656
Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc(Br)ccc2n1,C32605703_decoy,GCR,Decoy,0,-9.08254,-5.08,-1.95,-4.371696072994678
C[C@@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C37383914_decoy,GCR,Decoy,0,-10.1364,-7.0,-1.13,-8.67572595002543
CCO[C@@H]1CCC[C@]2(CCC[C@H](c3ccccc3O)N2I)C1,C39525865_decoy,GCR,Decoy,0,-10.11,-8.27,-0.48,-8.930629223125818
Cc1c(C(=O)Nc2c(Cl)cccc2Cl)oc2c1C1(CCC2)SCCS1,C39852023_decoy,GCR,Decoy,0,-11.8181,-3.29,-1.37,-4.861782918861247
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1nc2ccccc2s1,C39884251_decoy,GCR,Decoy,0,-9.04932,-5.63,-0.9,-5.614478182113247
Cc1cc2occ(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2cc1Cl,C39892796_decoy,GCR,Decoy,0,-10.9081,-8.76,-1.13,-8.557700471906708
Cc1cc(C)c(-c2ccnc(Nc3ccc(Br)cc3F)n2)c(C)c1,C40858108_decoy,GCR,Decoy,0,-8.9882,-3.79,-2.61,-3.690808333556941
Oc1ccc2oc3c(c2c1/C=N/c1ccc(I)cc1)CCCC3,C13774853_decoy,GCR,Decoy,0,-10.5674,-5.12,-0.88,-4.685409819845438
O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccs1,C05376771_decoy,GCR,Decoy,0,-10.0424,-9.03,-6.06,-11.478046837269478
CC[C@H]1CCCCN1CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl,C36316781_decoy,GCR,Decoy,0,-10.4383,-7.21,-0.72,-9.58711400893125
O=C(CCCl)Nc1ccc2sc(-c3cc(Cl)ccc3Cl)nc2c1,C59476673_decoy,GCR,Decoy,0,-10.9643,-7.6,-1.67,-8.160209645581494
CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1ccc(Cl)cc1Cl,C02300007_decoy,GCR,Decoy,0,-11.0068,-3.52,-0.5,-4.047974159804013
CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1c(Cl)cccc1Cl,C05478479_decoy,GCR,Decoy,0,-10.6423,-3.61,-1.76,-4.077668588832848
FC(F)(F)c1[nH]nc2nc3ccc(Br)cc3c(-c3ccccc3)c12,C06721405_decoy,GCR,Decoy,0,-8.22913,-3.97,-1.89,-3.517422048210224
Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Br)cc2Cl)c1,C64985427_decoy,GCR,Decoy,0,-9.14142,-8.48,-0.83,-12.02874545775165
C(=C/c1cc2c(cc1/N=C/c1ccccc1)N[C@H](c1ccccc1)C2)\c1ccccc1,C04235253_decoy,GCR,Decoy,0,-6.46097,-4.42,,99.0
Clc1cccc(C2=Nc3ccccc3S[C@@H]2c2nc3ccccc3[nH]2)c1,C04170127_decoy,GCR,Decoy,0,-9.30117,-3.34,-1.22,-3.558045270004901
Fc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2nc3ccccc3n21,C02915032_decoy,GCR,Decoy,0,-9.94375,-5.44,-3.63,-4.518930903484479
O=C1CCCC2=C1c1c(ccc3ccccc13)N[C@@H]2c1cccc2ccccc12,C00970621_decoy,GCR,Decoy,0,-9.94046,-4.21,-1.66,-3.546106228263875
O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2ccccc2)cc1,C04869701_decoy,GCR,Decoy,0,-9.8111,-3.97,-0.6,-4.398749890704291
Cc1cc(Nc2ncnc3sc4c(c23)CCCC4)ccc1Br,C02479296_decoy,GCR,Decoy,0,-10.1598,-7.56,-0.93,-8.163120344890057
CCc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1,C05551623_decoy,GCR,Decoy,0,-10.9135,9.98,-1.07,-0.3046256807454147
Cc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1Br,C03353847_decoy,GCR,Decoy,0,-10.2122,-7.49,-1.78,-10.97541565800456
Cc1ccc(C2=C[C@H](c3ccccc3)n3nc(-c4ccc(C)cc4)cc3N2)cc1,C06817770_decoy,GCR,Decoy,0,-6.97375,-3.35,-1.29,-2.9983264724207364
Clc1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@@H]21,C14465866_decoy,GCR,Decoy,0,-9.73845,-10.81,-0.87,-12.145715202699655
Clc1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@H]21,C14465868_decoy,GCR,Decoy,0,-10.0872,-4.0,-1.67,-4.039491608593573
Clc1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2C=CC[C@H]21,C14465870_decoy,GCR,Decoy,0,-9.16414,-4.0,-5.88,-3.607763077196648
CC(C)Oc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21,C14477792_decoy,GCR,Decoy,0,-10.507,-2.86,-1.7,-4.091510244310972
CC(C)(C)[C@H]1C/C(=C\c2cccs2)c2[nH+]c3ccccc3c(C(=O)[O-])c2C1,C19229877_decoy,GCR,Decoy,0,-9.65837,-3.64,-3.39,-3.969713713786629
N#CC1(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CCCC1,C20497273_decoy,GCR,Decoy,0,-10.9475,-4.24,-1.48,-4.371818161404771
COc1ccc([C@H](C)Nc2c(Cl)cc(Br)cc2Cl)cc1,C20505659_decoy,GCR,Decoy,0,-9.71901,-7.54,-0.97,-9.06383772675784
C[C@@H]1C[C@@H]1c1ccc(CNc2c(Cl)cc(Br)cc2Cl)o1,C20505715_decoy,GCR,Decoy,0,-9.73511,-3.65,-0.76,-4.575074520539761
C[C@@H]1C[C@H]1c1ccc(CNc2c(Cl)cc(Br)cc2Cl)o1,C20505717_decoy,GCR,Decoy,0,-10.4648,-2.73,-0.45,-3.977205482366645
C[C@H]1C[C@H]1c1ccc(CNc2c(Cl)cc(Br)cc2Cl)o1,C20505718_decoy,GCR,Decoy,0,-9.7473,-1.75,-0.79,-3.693800902040418
C[C@H](Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Br)cc1,C20560575_decoy,GCR,Decoy,0,-8.13247,-1.32,-2.27,-2.914719159085988
CSc1nc2ccc(N[C@@H](C)c3ccc(Br)cc3)cc2s1,C36956307_decoy,GCR,Decoy,0,-10.5467,-2.61,-4.45,-3.6797379791825287
CSc1nc2ccc(N[C@H](C)c3cccc(Br)c3)cc2s1,C36956368_decoy,GCR,Decoy,0,-10.4684,-3.68,-1.46,-4.405080265136102
COc1c(Br)cc(Cl)cc1N[C@H](C)c1ccc(Cl)cc1,C36981761_decoy,GCR,Decoy,0,-8.57241,-9.3,-0.39,-8.784008009756498
CCOc1c(Br)cc(Cl)cc1N[C@@H](C)c1ccc(C)s1,C36989275_decoy,GCR,Decoy,0,-9.43744,-7.13,-4.79,-7.998891549661957
CCOc1c(Br)cc(Cl)cc1N[C@H](C)c1ccc(C)s1,C36989276_decoy,GCR,Decoy,0,-9.50391,-6.6,-0.61,-8.654001914405965
COc1c(Br)cc(Cl)cc1N[C@H](c1cccs1)C(C)C,C37283398_decoy,GCR,Decoy,0,-9.91461,-7.03,-3.95,-11.87373256511814
COc1c(Br)cc(Cl)cc1N[C@@H](c1cccs1)C(C)C,C37283399_decoy,GCR,Decoy,0,-9.83155,-6.8,-3.22,-9.082434014596409
C[C@@H](Nc1cc(Cl)cc(Br)c1OC(F)F)C1CCCCC1,C37284087_decoy,GCR,Decoy,0,-9.04771,-7.81,-1.18,-9.055558338669336
COc1cc(C)ccc1[C@H](C)Nc1ccc(C)c(I)c1,C37296917_decoy,GCR,Decoy,0,-8.47414,-7.2,-1.41,-7.848067234200677
C[C@@H](Nc1ccc(Br)cc1Cl)c1cccc(OC(F)F)c1,C37392143_decoy,GCR,Decoy,0,-7.91711,-2.79,-0.99,-3.396192842639571
C[C@H](Nc1ccc(Br)cc1Cl)c1ccc(OC(F)F)cc1,C37392144_decoy,GCR,Decoy,0,-8.19181,-8.03,-0.68,-7.773008488075924
CC(C)Oc1ccc(N[C@@H](C)c2ccc(I)cc2)cc1,C37246648_decoy,GCR,Decoy,0,-8.75738,-6.93,-0.46,-10.423935535786155
CC(C)Oc1ccc(N[C@H](C)c2ccc(I)cc2)cc1,C37246650_decoy,GCR,Decoy,0,-8.10781,-7.16,-0.36,-6.875751479653523
CC(C)Oc1ccc([C@@H](C)Nc2ccc(I)cc2)cc1,C20477440_decoy,GCR,Decoy,0,-8.59586,-6.98,-1.06,-7.722246678203759
CC(C)Oc1ccc([C@@H](C)Nc2cccc(I)c2)cc1,C20478671_decoy,GCR,Decoy,0,-8.15819,-7.43,-0.99,-7.366037783611987
CC(C)(C)C1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1,C17076858_decoy,GCR,Decoy,0,-10.8584,-3.93,-6.51,-4.759313717997334
Oc1c(Cl)cc(Cl)cc1C1N=C(c2ccccc2)C(c2ccccc2)=N1,C39379089_decoy,GCR,Decoy,0,-9.91202,-5.03,-0.74,-4.867419766542917
Oc1ccccc1-c1cnc2cc(Br)cc(Cc3ccccc3)n12,C39463218_decoy,GCR,Decoy,0,-8.63629,-4.07,-3.44,-3.8473067286202496
CSc1cc2c(cc1Cl)CN(c1ccccc1O)/C2=C\c1ccccc1,C39499027_decoy,GCR,Decoy,0,-10.3036,-2.54,-3.85,-3.814873396385377
O=C(Nc1cccc(Cl)c1Cl)c1cc2sccc2n1C1CCCC1,C40799469_decoy,GCR,Decoy,0,-10.4834,-4.75,-0.88,-4.929394550807107
N#Cc1c(C2=c3ccccc3=[NH+]C2)cc(-c2ccc3c(c2)CCCC3)nc1[S-],C52570003_decoy,GCR,Decoy,0,-9.62108,-5.17,-3.41,-4.091518741674234
Cc1cc(C)c(/N=C(/Nc2c(C)cc(C)cc2C)S[C@@H]2C=CCCC2)c(C)c1,C59225469_decoy,GCR,Decoy,0,-10.5187,-3.82,-4.58,-4.879811844868512
Clc1ccccc1/N=C(/Nc1ccccc1Cl)S[C@@H]1C=CCCC1,C59225485_decoy,GCR,Decoy,0,-10.2128,-5.85,-1.29,-5.552871642117603
Clc1cccc(/N=C(\Nc2cccc(Cl)c2)S[C@H]2C=CCCC2)c1,C59225599_decoy,GCR,Decoy,0,-10.4011,-7.88,-2.55,-9.291358919595464
Clc1ccc(/N=C(/Nc2ccc(Cl)cc2)S[C@@H]2C=CCCC2)cc1,C59225604_decoy,GCR,Decoy,0,-8.7508,-8.13,-2.45,-10.209466659661578
CC[C@@H](C)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21,C59244663_decoy,GCR,Decoy,0,-9.44951,-4.23,-1.44,-4.640360597596447
Brc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21,C12562542_decoy,GCR,Decoy,0,-9.85711,-3.92,-3.79,-3.421948288192924
CSc1ccc(/C=C/[C@]23N=C(O)CCN2c2ccc(C)cc2C3(C)C)cc1,C04000201_decoy,GCR,Decoy,0,-10.1416,-1.88,-1.46,-3.687673423534744
Cc1cc2c(cc1C)N(Cc1ccccc1C)C(=O)C=C(c1cccs1)N2,C64869003_decoy,GCR,Decoy,0,-10.5017,-9.43,-4.9,-9.521638677468436
Cc1cc(OCCNc2cc(Cl)c(Cl)cc2Cl)cc(C)c1Cl,C66163241_decoy,GCR,Decoy,0,-10.494,-8.41,-1.84,-9.000990668995994
CC1(C)CC(=O)C2=C(C1)N(c1ccc(O)cc1)C(=O)C[C@@H]2c1ccc(Cl)cc1,C03668292_decoy,GCR,Decoy,0,-11.0353,-1.98,-0.91,-3.6761601398897903
C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)C1,C00912325_decoy,GCR,Decoy,0,-10.1006,-4.04,-5.18,-4.820367386720041
Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)c1,C00888474_decoy,GCR,Decoy,0,-9.90548,-4.6,-1.57,-4.800676364006615
O=C(N/C(=C/c1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1,C00675771_decoy,GCR,Decoy,0,-8.89722,-4.25,-2.97,-4.08791220744284
Brc1ccccc1/C=N/Nc1ncnc2sc3c(c12)CCCC3,C04348870_decoy,GCR,Decoy,0,-10.0458,-8.23,-0.67,-10.851597698409211
Cc1ccc(C)c(OCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)c1,C01522185_decoy,GCR,Decoy,0,-10.479,-8.53,-3.77,-12.309360940826927
N#CC1(NC(=O)COc2ccc3cc(Br)ccc3c2)CCCCC1,C03476884_decoy,GCR,Decoy,0,-10.1745,-9.68,-0.21,-14.334624425032333
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C04547966_decoy,GCR,Decoy,0,-9.46263,-4.13,-0.84,-4.374354114437194
Cc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4C)c(=S)[nH]c32)cc1C,C03026993_decoy,GCR,Decoy,0,-10.451,-1.74,-1.49,-3.6590433489471454
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C04703059_decoy,GCR,Decoy,0,-9.46726,-3.53,-0.9,-4.062198999274774
Brc1ccc(/C=N/Nc2ncnc3sc4c(c23)CCCC4)cc1,C04811537_decoy,GCR,Decoy,0,-9.94578,-3.78,-3.04,-4.26797232846371
COc1c(C)cc(Br)cc1C(=O)Nc1sc2c(c1C#N)CCC2,C02861480_decoy,GCR,Decoy,0,-10.067,-4.07,-1.9,-4.577717069175927
O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2cc(Br)ccc2oc1=O,C05177356_decoy,GCR,Decoy,0,-9.57113,-3.91,-2.11,-5.001118860663732
O=C1c2cccnc2[C@@H](Nc2ccc(Cl)cc2Cl)N1Cc1cccs1,C06737214_decoy,GCR,Decoy,0,-10.2259,-8.63,-3.3,-9.25435406813336
O=C(/C=C/c1nc2ccccc2s1)N1CCC(c2c[nH]c3ccccc23)CC1,C10882383_decoy,GCR,Decoy,0,-11.0538,-6.22,-1.35,-6.593666784867853
O=C([O-])C1CC[NH+]([C@@H](c2cccc(Cl)c2)c2nc3ccccc3s2)CC1,C11831249_decoy,GCR,Decoy,0,-8.94312,-3.75,-2.02,-4.172288308339156
CC(C)(NC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1)C12CC3CC(CC(C3)C1)C2,C11999753_decoy,GCR,Decoy,0,-10.7041,-6.72,-4.97,-8.245210648333696
O=C(c1cscn1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1Cl,C12072693_decoy,GCR,Decoy,0,-9.17891,-3.38,-1.23,-3.160886081055464
N#C/C(=C\c1cc(Br)ccc1OC(F)F)c1nc2ccccc2[nH]1,C05072705_decoy,GCR,Decoy,0,-8.71998,-2.64,-4.55,-3.285101499905657
O=C(Nc1nc(-c2ccccc2)ns1)c1ccc(I)cc1,C13672135_decoy,GCR,Decoy,0,-9.88082,-8.82,-1.84,-9.911147503409824
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2)c1ccccc1,C14547691_decoy,GCR,Decoy,0,-10.3081,-3.49,-0.74,-4.8571158503143055
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2)c1ccccc1,C14547693_decoy,GCR,Decoy,0,-9.92231,-3.77,-0.54,-4.727263284896539
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)s1,C15961891_decoy,GCR,Decoy,0,-9.38706,-4.17,-0.7,-4.451679590276727
C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)s1,C17080463_decoy,GCR,Decoy,0,-10.9235,-2.74,-1.78,-4.038028448173724
CCn1cc(CN2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2C)c(C)n1,C19835572_decoy,GCR,Decoy,0,-9.68102,-4.82,-4.31,-4.898529528453775
Fc1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccc4cccnc34)C2)c1,C19940062_decoy,GCR,Decoy,0,-9.65822,-10.21,-3.15,-8.593421146985609
CC1=C(C(=O)Nc2c(F)cc(F)cc2Br)C2(CCCCC2)OC1=O,C06772411_decoy,GCR,Decoy,0,-9.4046,-4.12,-1.47,-4.332046984080134
CCC[C@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(Br)cc1F,C20900409_decoy,GCR,Decoy,0,-9.18445,-3.97,-1.02,-4.526327708267032
CSc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)cc1,C21660414_decoy,GCR,Decoy,0,-10.522,25.22,,99.0
O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cc2c(cc1Cl)OCCO2,C24716397_decoy,GCR,Decoy,0,-10.0847,-4.01,-1.21,-4.766081642877227
CSc1ncc(Br)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1,C27741855_decoy,GCR,Decoy,0,-10.6743,-6.22,-1.26,-7.180354617267716
Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)c1,C13618279_decoy,GCR,Decoy,0,-9.65163,-3.81,-2.71,-4.29975264023715
O=C(Nc1cc(Cl)ccc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2,C36845263_decoy,GCR,Decoy,0,-9.87624,-9.91,-2.86,-9.00450622975739
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1,C39867763_decoy,GCR,Decoy,0,-10.8346,-5.06,-1.45,-4.688620143699909
O=C1N=C([N-]c2ccc(Br)cc2)S/C1=C/C1=c2ccccc2=[NH+]C1,C39926607_decoy,GCR,Decoy,0,-10.3492,-4.52,-2.95,-4.449798401052749
Cc1cc(Br)ccc1NC(=O)[C@H](C)Sc1ccc(Cl)nn1,C42612408_decoy,GCR,Decoy,0,-9.30736,-6.49,-0.66,-7.278085574087743
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COC1=C[C@H]2OC(=O)CC=C2C=C1,C05645050_decoy,GCR,Decoy,0,-11.7763,-10.1,-3.62,-10.473018170597902
Cc1ccc([C@]2(O)CS/C(=N\C3=NCCCS3)N2c2ccccc2)cc1,C48555146_decoy,GCR,Decoy,0,-12.2598,-1.33,-3.71,-4.544384647175894
O=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2cccs2)c(Cl)c1,C51185262_decoy,GCR,Decoy,0,-10.3563,-3.14,-2.77,-4.430621835687119
CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2c2cccc3ccccc23)cc1,C56363530_decoy,GCR,Decoy,0,-9.16451,-3.02,-2.56,-4.315674407939348
CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2c2cccc3ccccc23)cc1,C56363532_decoy,GCR,Decoy,0,-8.9108,-4.61,-2.43,-4.450679028709051
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc2ccc(C)nc12,C59294594_decoy,GCR,Decoy,0,-9.51376,-3.73,-2.93,-4.110778156542739
CC[C@H](C)N1C(=O)C[C@@H](Nc2c(Cl)cc(Br)cc2Cl)C1=O,C36854219_decoy,GCR,Decoy,0,-9.83804,-7.8,-0.44,-12.572584048220689
Cc1ccc(S(=O)(=O)N[C@H]2COc3ccc(Br)cc3C2)c(C)c1,C65330385_decoy,GCR,Decoy,0,-10.0289,-8.25,-1.83,-12.008225095251913
CCc1ccc(S(=O)(=O)N[C@@H]2COc3ccc(Br)cc3C2)cc1,C65330394_decoy,GCR,Decoy,0,-9.62523,-8.67,-0.83,-8.87353709990561
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc4c(s3)CCCCC4)CC2)cc1,C66677235_decoy,GCR,Decoy,0,-11.0202,9.48,-5.36,-0.5264754331279085
C[C@@H]1CCc2sc(C(=O)N3CCC(NC(=O)CC4CCCC4)CC3)cc2C1,C66787658_decoy,GCR,Decoy,0,-10.9574,-2.69,-4.3,-5.082626614355133
O=C(Nc1ccc(F)cc1Cl)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1,C67251109_decoy,GCR,Decoy,0,-8.51616,-9.5,-2.66,-6.9963468036669845
O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCO[C@H](c2ccc(F)c(F)c2)C1,C67388247_decoy,GCR,Decoy,0,-8.0298,-9.52,-0.79,-9.634463249347862
O=C(Nc1cc(F)ccc1F)N1CCO[C@@H](c2ccc(Br)cc2)C1,C67557014_decoy,GCR,Decoy,0,-9.83305,-5.95,-1.3,-5.732084183257692
O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C00728818_decoy,GCR,Decoy,0,-9.58222,-4.87,-2.52,-6.588580383868546
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C02916248_decoy,GCR,Decoy,0,-9.60658,-9.36,-3.52,-8.378802898089099
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccnc1)c1c(ccc3ccccc13)N2,C01421744_decoy,GCR,Decoy,0,-6.03541,-4.01,-2.32,-2.6467987736009024
Cc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1Br,C04545177_decoy,GCR,Decoy,0,-9.09804,-9.37,-2.63,-8.0653398436072
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccnc1)c1c(ccc3ccccc13)N2,C01421741_decoy,GCR,Decoy,0,-11.0276,-2.53,-3.21,-3.7574476941465313
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C04703060_decoy,GCR,Decoy,0,-9.56446,-5.65,-2.06,-4.770509730448735
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1,C01404161_decoy,GCR,Decoy,0,-10.0876,-3.68,-2.89,-4.41694115536342
[H]/N=C1\SCC(=O)N1c1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1,C05001305_decoy,GCR,Decoy,0,-9.85689,-4.67,-1.32,-4.569262521415066
O=C(CSc1ccc2c(c1)OCCCO2)Nc1c(Cl)cccc1Cl,C06436944_decoy,GCR,Decoy,0,-9.35305,-7.91,-1.28,-8.231894337414492
O=c1[nH]c(CSc2nc3ccccc3s2)nc2sc3c(c12)CCCC3,C06316008_decoy,GCR,Decoy,0,-10.5314,-4.84,-3.5,-4.479128548453725
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1,C06603019_decoy,GCR,Decoy,0,-9.25326,-3.56,-3.67,-4.1282929389947824
CC[NH+]1C/C(=C\c2ccc(SC)cc2)c2nc3ccccc3c(C(=O)[O-])c2C1,C06788382_decoy,GCR,Decoy,0,-9.49587,-2.94,-2.57,-3.700378759335816
O=C1N/C(=N\N=C\c2cccs2)S[C@@H]1Cc1c(Cl)cccc1Cl,C06925650_decoy,GCR,Decoy,0,-10.9985,-2.0,-3.27,-3.940543124399424
O=C1N/C(=N\N=C\c2cccs2)S[C@H]1Cc1c(Cl)cccc1Cl,C06925652_decoy,GCR,Decoy,0,-10.1748,-3.33,-0.85,-4.604307300803523
O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)s1,C07051741_decoy,GCR,Decoy,0,-9.69479,-6.94,-1.9,-7.878028847851836
Cc1cc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)c(C)n1C1CCCCC1,C08078281_decoy,GCR,Decoy,0,-11.0035,-5.33,-2.6,-5.966483261727882
C[C@@H]1CCN(C(=O)CNc2ccccc2N2CCCCC2)c2ccccc2S1,C08194015_decoy,GCR,Decoy,0,-8.78196,-3.75,-3.04,-4.082760181043012
Cn1c2ccccc2n2c([C@@H](O)C(Cl)(Cl)Cl)c(-c3ccccc3)nc12,C03876981_decoy,GCR,Decoy,0,-10.7229,-2.16,-3.23,-3.693804605155296
O=C(N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccc2ccccc2n1,C02315215_decoy,GCR,Decoy,0,-9.82832,-8.87,-3.03,-9.01415720024094
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1N[C@@H]1CCC[C@@H](C)[C@H]1C,C09286636_decoy,GCR,Decoy,0,-9.86389,-8.12,-0.77,-11.9621998828921
O=C([O-])C1CC[NH+]([C@H](c2nc3ccccc3s2)c2ccccc2Cl)CC1,C11831199_decoy,GCR,Decoy,0,-9.11067,-3.5,-3.37,-3.9251763615921527
Cc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1C,C06613861_decoy,GCR,Decoy,0,-9.72936,-3.58,-2.84,-4.468656837467325
Cc1cc(C(=O)N/N=C/c2ccccc2Br)c(C)n1-c1ccccc1,C07244679_decoy,GCR,Decoy,0,-8.79012,-7.49,-5.02,-6.797904759357058
O=C(/C=C/c1ccccc1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1,C11789470_decoy,GCR,Decoy,0,-9.41205,-11.32,-1.97,-8.916643875889593
Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(Br)c1,C14848050_decoy,GCR,Decoy,0,-9.03092,-5.44,-4.41,-5.031067129696069
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(F)c(F)c1F,C16469817_decoy,GCR,Decoy,0,-9.7822,-9.17,-0.76,-7.794826954547869
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2c(c(C)c1C#N)CCC2,C18457714_decoy,GCR,Decoy,0,-9.31591,-9.17,-4.69,-8.32211099858557
O=C1c2cccnc2[C@H](Nc2cc(Cl)ccc2Cl)N1Cc1cccs1,C20319406_decoy,GCR,Decoy,0,-9.84125,-8.06,-2.3,-10.040240342750856
C[C@H](NC(=O)[C@H](C)n1sc2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2,C20467386_decoy,GCR,Decoy,0,-10.5479,-4.87,-3.85,-4.710739894727062
C#CCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21,C20760330_decoy,GCR,Decoy,0,-9.73933,-3.16,-1.71,-3.800072803453579
O=C(N[C@@H](c1ccccc1)c1cccs1)c1cc(Cl)c2c(c1)OCCO2,C23040761_decoy,GCR,Decoy,0,-9.96342,-4.43,-2.67,-5.204613247712373
O=C(NCc1ccccc1)N1CCN(Cc2ccc(Br)s2)CC1,C12803207_decoy,GCR,Decoy,0,-10.123,-6.67,-1.47,-7.722250343053551
CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C)cc1Br,C24831868_decoy,GCR,Decoy,0,-9.16687,-7.65,-2.22,-7.852667566068074
O=C(N[C@H](N1CCOCC1)C(Cl)(Cl)Cl)C12CC3CC(CC(C3)C1)C2,C32620104_decoy,GCR,Decoy,0,-9.91357,-5.46,-2.15,-7.557239908071835
O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2)c(Br)c1,C37131128_decoy,GCR,Decoy,0,-8.72418,-6.43,-0.55,-10.98017802105636
Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(cc1C#N)C[C@H](C)CC2,C39326642_decoy,GCR,Decoy,0,-9.07799,-4.68,-4.87,-4.42077932123181
O=C(Nc1cccc(Cl)c1Cl)c1ccc2nc3c(nc2c1)[C@H]1CC[C@@H]3C1,C39867853_decoy,GCR,Decoy,0,-10.6519,-5.51,-0.82,-4.826498735691249
O=C(Cc1csc(-c2ccsc2)n1)N1CCC(c2ccc(O)cc2)CC1,C48361587_decoy,GCR,Decoy,0,-11.7337,-3.21,-0.85,-4.690009475494343
N#C[C@H](C(=O)c1cc2ccccc2[nH]1)c1nc2cc(C(F)(F)F)ccc2s1,C51656614_decoy,GCR,Decoy,0,-8.52124,-7.19,-0.53,-6.167960955892602
Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)CC2)c1C,C16484454_decoy,GCR,Decoy,0,-10.2493,-4.12,-1.79,-4.242438711963885
N#C/C(=C/Nc1ccc(I)cc1)c1nc2ccccc2o1,C04713028_decoy,GCR,Decoy,0,-9.19615,-3.59,-4.89,-3.4673042643336385
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1Cc2ccccc2S1,C11837255_decoy,GCR,Decoy,0,-9.99295,-4.19,-3.29,-4.642712125503527
Cc1cc(Br)ccc1OCC(=O)N/N=C1/CCCc2ccccc21,C34107429_decoy,GCR,Decoy,0,-9.53608,-4.11,-2.22,-4.765028725190953
Oc1c(Cl)cccc1/C=N/c1ccc(N2CCOCC2)c(C(F)(F)F)c1,C59202535_decoy,GCR,Decoy,0,-9.07665,-0.99,-1.39,-3.7596773519055056
O=C1N/C(=N\N=C\c2cccs2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1,C18208621_decoy,GCR,Decoy,0,-10.7997,-8.16,-3.28,-8.228825165557822
CCc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3Br)C2=O)cc1,C01059246_decoy,GCR,Decoy,0,-8.94961,-3.84,-1.71,-3.942403934066685
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3C)C2)c1,C46045545_decoy,GCR,Decoy,0,-8.92232,-3.83,-1.38,-4.424844912260424
CSc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1,C65331349_decoy,GCR,Decoy,0,-9.86299,-3.37,-3.73,-3.753206850160104
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc(Cl)ccc1F,C66035772_decoy,GCR,Decoy,0,-10.4324,6.65,-1.38,-1.4186436411694832
C[C@H]1CCc2sc(C(=O)N3CCC(NC(=O)CC4CCCC4)CC3)cc2C1,C66787659_decoy,GCR,Decoy,0,-10.6505,-2.39,-1.99,-4.009559592655546
Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1,C00851730_decoy,GCR,Decoy,0,-9.42985,-4.25,-1.69,-4.685704162870497
Cc1cc(C)n(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)n1,C00626759_decoy,GCR,Decoy,0,-9.80509,-4.35,-3.06,-4.673105039459079
COCCCN1C(=S)N[C@@H]2c3cc(Br)ccc3O[C@@]1(C)[C@H]2C,C04306898_decoy,GCR,Decoy,0,-9.59837,-4.47,-1.93,-7.12657945768847
O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C04547964_decoy,GCR,Decoy,0,-9.49594,-4.78,-0.77,-4.503833622858581
CC(=O)c1ccc(Nc2ncnc3ccc(I)cc23)cc1,C00955117_decoy,GCR,Decoy,0,-8.78347,-8.7,-2.76,-8.965992543119633
O=c1c2c(nc(-c3ccccc3)n1CCO)-c1ccccc1CC21CCCCC1,C02255753_decoy,GCR,Decoy,0,-11.1277,-3.85,-3.43,-4.5905653003388105
O=C1NC(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)S1,C04675815_decoy,GCR,Decoy,0,-10.2786,-9.43,-3.92,-9.24134360750128
O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C00843791_decoy,GCR,Decoy,0,-9.74903,-6.22,-1.36,-5.088541126523395
CCN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2O)C2=C1CCCC2=O,C04691056_decoy,GCR,Decoy,0,-9.82629,-3.86,-1.99,-4.034761376001666
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1,C04703068_decoy,GCR,Decoy,0,-10.4152,-9.08,-0.71,-8.410973705724498
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)c(C)c1,C03188267_decoy,GCR,Decoy,0,-10.1698,-10.8,-0.81,-15.081311403768195
C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1ccc(Cl)cc1,C06112641_decoy,GCR,Decoy,0,-9.22481,-6.33,-0.53,-7.531732262870845
CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2Cl)NC(=S)N1c1ccccc1,C07621791_decoy,GCR,Decoy,0,-9.12019,-4.89,,99.0
O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1,C10545365_decoy,GCR,Decoy,0,-10.3364,-3.21,-0.93,-4.001476290303933
O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1,C10545706_decoy,GCR,Decoy,0,-10.1221,-4.41,-2.11,-5.009452263805986
CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1,C12616801_decoy,GCR,Decoy,0,-6.52395,-5.96,-3.79,-3.5533556839076104
O=C(/C=C/c1cccc(Cl)c1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1,C12602315_decoy,GCR,Decoy,0,-9.76909,-9.23,-2.75,-14.944054446629684
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2,C12818753_decoy,GCR,Decoy,0,-8.33154,-6.6,-5.28,-7.197151244164628
C[C@@]1(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)CCS(=O)(=O)C1,C12903392_decoy,GCR,Decoy,0,-10.3159,-4.66,-0.07,-5.429564117822855
COc1ccc([C@@H](C)NC(=O)c2cn(C)c3ccccc23)cc1Br,C07257872_decoy,GCR,Decoy,0,-9.41159,-8.75,-2.32,-12.834751962257068
CSc1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2s1,C16153975_decoy,GCR,Decoy,0,-10.9917,-8.52,-1.23,-9.26975516746798
COCCCN1C(=S)N[C@H]2c3cc(Br)ccc3O[C@]1(C)[C@H]2C,C17244087_decoy,GCR,Decoy,0,-9.78569,-6.94,-0.64,-8.337677504777169
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(F)c(Cl)cc1Cl,C17366025_decoy,GCR,Decoy,0,-8.66754,-2.69,-4.46,-3.8886329128355785
C[C@H](Sc1ccc(Cl)cc1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1,C18321869_decoy,GCR,Decoy,0,-11.3195,-9.56,-0.73,-8.17659518699252
C[C@@H]1CCC2=NN(C(=O)c3cccc(Br)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1,C20034166_decoy,GCR,Decoy,0,-8.84593,-3.23,-0.64,-3.6921381396361177
C[C@H]1CCC2=NN(C(=O)c3cccc(Br)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1,C20034170_decoy,GCR,Decoy,0,-8.80511,-3.29,-0.69,-3.4040305866598697
C[C@@H]1CCC2=NN(C(=O)c3cccc(Br)c3)[C@](O)(C(F)(F)F)[C@@H]2C1,C20034174_decoy,GCR,Decoy,0,-8.04831,-3.92,-1.29,-3.7372314062718615
Cc1ccc(Cl)cc1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1,C13324946_decoy,GCR,Decoy,0,-10.5409,-7.68,-2.16,-8.264621212868912
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2)c1ccccc1,C20751370_decoy,GCR,Decoy,0,-9.44114,-3.65,-1.37,-4.122474057030865
C[C@@H](Sc1nc2ccccc2s1)C(=O)/C(C#N)=C1\Nc2ccccc2S1,C23551883_decoy,GCR,Decoy,0,-9.96625,-5.76,-0.8,-4.65823048462144
Fc1ccc(-c2[nH]c(-c3ccc(Br)o3)nc2-c2ccncc2)cc1,C26574847_decoy,GCR,Decoy,0,-10.1016,-3.04,-1.68,-3.809746203259428
CN(C)C(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1,C30948074_decoy,GCR,Decoy,0,-10.3044,-2.75,-1.0,-4.523240491174913
O=[N+]([O-])c1cc(Br)ccc1NCc1ccc(Br)cc1,C35231884_decoy,GCR,Decoy,0,-8.17911,-7.29,-0.37,-7.431903654358152
Cc1sc2ncnc(SCC(=O)N[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)c2c1C,C36007791_decoy,GCR,Decoy,0,-10.3569,-7.07,-3.86,-11.980296467484084
O=[N+]([O-])c1ccc(CNc2cc(Br)ccc2Br)cc1,C37121478_decoy,GCR,Decoy,0,-8.80575,-7.7,-0.97,-6.957922056263096
C[C@@H]1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3F)c(C#N)cc2C1,C39326649_decoy,GCR,Decoy,0,-9.762,-5.91,-2.89,-7.24105846208213
O=C(Nc1ccc(F)c(F)c1F)N1CCN(Cc2ccc(Cl)s2)CC1,C43233574_decoy,GCR,Decoy,0,-10.7362,-3.77,-23.38,-4.335952921982449
O=C(Nc1nnc(-c2ccsc2)s1)c1cccc(I)c1,C48706432_decoy,GCR,Decoy,0,-10.1978,-2.98,-0.59,-4.524236592210414
O=C(Nc1ccccn1)c1ccccc1Sc1ccc(Br)cn1,C53263978_decoy,GCR,Decoy,0,-9.79778,-8.11,-3.05,-9.690351517378753
O=C(Nc1ccc(F)c(F)c1F)c1ccc(-n2ccc(C(F)(F)F)n2)cc1,C57186222_decoy,GCR,Decoy,0,-7.84928,16.3,-0.52,3.432184945236425
CC(C)C(=O)N1CCC(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1,C25245730_decoy,GCR,Decoy,0,-10.8316,-3.95,-1.05,-5.145301020321801
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc(F)c1,C59250249_decoy,GCR,Decoy,0,-7.40861,-3.52,-1.0,-3.191540850911276
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)c(Br)c2)cc1,C59432873_decoy,GCR,Decoy,0,-9.14387,-5.19,-4.22,-5.5767742765626585
O=C(N/N=C/c1ccc(I)cc1)c1cc2ccccc2o1,C59679929_decoy,GCR,Decoy,0,-8.60287,-6.47,-0.61,-5.184653218779071
O=C(Nc1nc2c(s1)CCC2)c1csc(-c2cc(Br)cs2)n1,C59877679_decoy,GCR,Decoy,0,-11.4244,-4.35,-1.38,-4.859967093301529
Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1c(F)cccc1Cl,C60130123_decoy,GCR,Decoy,0,-9.50964,-4.66,-1.24,-4.561702560403836
O=C1N/C(=N/N=C/c2cccs2)S[C@H]1Cc1ccc(Cl)cc1Cl,C11847387_decoy,GCR,Decoy,0,-11.1304,-8.31,-2.11,-7.335724668309185
Cc1ncsc1CN(C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl,C66407276_decoy,GCR,Decoy,0,-10.5878,-8.15,-5.34,-8.409953628037202
Cc1ccc2nc([C@@H]3CCCN(C(=O)CCc4ccc(Cl)s4)C3)[nH]c2c1,C67158492_decoy,GCR,Decoy,0,-10.0023,-4.3,-7.76,-4.78480658417235
[O-]c1nc(C[NH+]2CCc3sccc3[C@H]2c2cccs2)nc2ccsc12,C15548697_decoy,GCR,Decoy,0,-10.8325,-5.99,-1.44,-11.383058072087536
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1,C04550468_decoy,GCR,Decoy,0,-10.5374,-4.91,-4.93,-4.890662633552078
Fc1ccccc1-n1nc2c(=S)[nH]nc(-c3ccccc3)c2c1-c1ccccc1,C01016721_decoy,GCR,Decoy,0,-8.93194,-3.38,-1.16,-3.637839406661698
O=c1c2cc(Br)ccc2nc(CNc2ccccc2)n1-c1ccccc1,C01626367_decoy,GCR,Decoy,0,-8.87857,-5.27,-2.31,-4.864187397633057
N#Cc1c(Cl)nc(N/N=C/c2ccc(Br)cc2)c(Cl)c1Cl,C04705096_decoy,GCR,Decoy,0,-10.0024,-6.1,-2.83,-7.424594295874736
Cc1cc(C)c2nc(NC(=O)COc3ccc(Br)cc3)sc2c1,C01216473_decoy,GCR,Decoy,0,-11.0569,-3.7,-6.32,-4.673940161850876
Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCCCC3)cc1,C05046815_decoy,GCR,Decoy,0,-9.47745,-4.19,-4.98,-4.408613987498307
CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc21,C05136357_decoy,GCR,Decoy,0,-9.63039,-2.21,-0.85,-3.629884945866558
O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc2ccccc2c1,C02636143_decoy,GCR,Decoy,0,-11.3029,-9.24,-0.53,-8.069971357797632
CC[NH+]1C/C(=C\c2cccc3ccccc23)c2nc3ccccc3c(C(=O)[O-])c2C1,C06429596_decoy,GCR,Decoy,0,-7.75752,-4.7,-2.5,-3.771252572891852
O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)C1CCCC1,C06837074_decoy,GCR,Decoy,0,-12.1479,-0.19,-2.59,-4.573826330249561
CCOc1ccc2nc(NC(=O)c3cc(Br)ccc3F)sc2c1,C07768423_decoy,GCR,Decoy,0,-9.88427,11.39,-1.24,0.5790247740761921
O=C([O-])c1c2c(nc3ccccc13)/C(=C/c1cccs1)C[NH+](Cc1ccccc1)C2,C08381189_decoy,GCR,Decoy,0,-5.87672,-4.08,-4.24,-2.854794917284201
O=C(NC1CCCCC1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1,C08513651_decoy,GCR,Decoy,0,-10.2183,-4.51,-5.53,-4.653394476265287
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Cl)cc1Cl,C10740956_decoy,GCR,Decoy,0,-10.7979,-9.11,-2.87,-9.712366670917204
O=S(=O)(/C(=C/c1ccc2ccccc2c1)c1nc2ccccc2[nH]1)c1ccccc1,C12604087_decoy,GCR,Decoy,0,-9.7225,-5.81,-1.78,-4.978714844240329
O=C1c2ccccc2[C@@H](Nc2ccccc2Br)N1c1ccc(Cl)cn1,C09612091_decoy,GCR,Decoy,0,-9.90526,-4.21,-0.77,-4.39038891667769
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)c(C)c1,C14457778_decoy,GCR,Decoy,0,-10.253,-3.21,-3.36,-4.146003490235627
Cc1ccc2nc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)sc2c1,C15315497_decoy,GCR,Decoy,0,-10.4872,-3.52,-1.34,-4.366060666042404
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(Cl)cc2s1,C15318002_decoy,GCR,Decoy,0,-11.7605,-4.48,-1.11,-5.418210456804579
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3C)c(C)c1,C17080413_decoy,GCR,Decoy,0,-7.4074,-4.91,-4.65,-3.742869702519083
O=C(Cc1ccccc1F)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1,C19348091_decoy,GCR,Decoy,0,-8.50653,-4.06,-4.91,-3.98599456689834
Cc1nc2nc(SCC(=O)c3ccc4ccccc4c3)[nH]c2cc1Br,C06000532_decoy,GCR,Decoy,0,-10.4612,-4.61,-4.08,-4.729793082159039
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@@H]3C=CC[C@H]32)c(C)c1,C20691292_decoy,GCR,Decoy,0,-10.8106,-3.19,-3.89,-4.086847060332313
O=C(NC1CCCCC1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2,C21166552_decoy,GCR,Decoy,0,-11.7348,10.93,-1.64,-0.294545029791499
Cc1ccc(CNC(=O)N2CCN(Cc3ccc(Br)s3)CC2)cc1,C12985640_decoy,GCR,Decoy,0,-9.1894,-3.01,-3.42,-3.930849414580383
O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cc(Cl)c(Cl)cc1Cl,C24707354_decoy,GCR,Decoy,0,-10.7676,-9.24,-3.12,-8.871207410658522
Cc1ccc(C(=O)N2[C@@H](C(=O)NC3CCCCC3)CS[C@H]2C2CCCCC2)cc1,C35192123_decoy,GCR,Decoy,0,-9.20722,6.46,-1.87,-0.9115228180538126
O=C(Cc1cccs1)Nc1cccc(-c2cn3cc(Cl)cc(Cl)c3n2)c1,C35701395_decoy,GCR,Decoy,0,-10.8727,-8.66,-1.34,-8.038763529399478
Cc1ccc(-c2c(C)sc3nc(CSc4ncccc4Cl)[nH]c(=O)c23)cc1,C25714781_decoy,GCR,Decoy,0,-11.822,-3.46,-4.34,-4.960957388531515
C[C@@H](n1c(-c2ccc3ccccc3n2)n[nH]c1=S)C12CC3CC(CC(C3)C1)C2,C04718048_decoy,GCR,Decoy,0,-8.93829,-2.22,-4.35,-3.389127500806569
CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2,C36359098_decoy,GCR,Decoy,0,-9.96838,-2.62,-3.51,-3.875932209638315
Cc1cc(I)ccc1NCc1cc([N+](=O)[O-])ccc1Cl,C37057272_decoy,GCR,Decoy,0,-8.04067,-7.65,-0.65,-7.512554265231185
Oc1ccc(Br)cc1/C=N/c1cccn2cc(-c3ccccc3)nc12,C15961173_decoy,GCR,Decoy,0,-10.2084,-7.14,-4.53,-5.5707636683311375
CC1(C)C[C@H]2C[C@](C)(CN2c2c(C(=O)[O-])c[nH+]c3c(C(F)(F)F)cccc23)C1,C38789561_decoy,GCR,Decoy,0,-8.805,-2.45,-2.08,-3.17729493944012
Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3sccc3Br)n2c1,C40130990_decoy,GCR,Decoy,0,-9.34121,-3.47,-3.3,-4.002437590342568
Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3Cl)C2)c(Br)c1,C40134940_decoy,GCR,Decoy,0,-10.0431,-2.34,-1.87,-3.7477039610425984
C[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Br,C41649334_decoy,GCR,Decoy,0,-8.9053,-7.83,-0.84,-8.47547339867779
C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1Br,C41649339_decoy,GCR,Decoy,0,-8.0218,-7.72,-0.93,-7.292164279478436
O=S(=O)(/N=c1\[nH]c2c(s1)CCC2)c1ccc(Br)cc1Cl,C42306059_decoy,GCR,Decoy,0,-8.86941,-3.5,-0.51,-3.605016939251903
O=C(/C=C/c1c(Cl)cccc1Cl)NC1CCN(C(=O)C2CCCCC2)CC1,C46775325_decoy,GCR,Decoy,0,-10.2044,-3.69,-1.47,-4.84282602896243
Cc1cccc(Cl)c1NC(=O)/C=C/c1c(Br)ccc2c1OCO2,C48545710_decoy,GCR,Decoy,0,-10.4728,-9.11,-2.05,-14.964967645410434
Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)s1,C54730833_decoy,GCR,Decoy,0,-9.96886,-4.0,-1.24,-4.722028268965049
O=C1[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1,C03849070_decoy,GCR,Decoy,0,-8.83839,-9.41,-3.53,-9.794721874288207
CC[C@@H](C)N1C(=O)C[C@@H](Nc2c(Cl)cc(Br)cc2Cl)C1=O,C36854218_decoy,GCR,Decoy,0,-9.69243,-7.61,-1.63,-8.734748393083889
Oc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)c(Cl)c1,C59476967_decoy,GCR,Decoy,0,-11.5624,-3.65,-1.01,-4.501078364735728
Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)CBr,C59594131_decoy,GCR,Decoy,0,-10.3669,-3.54,-1.48,-4.523065274775133
Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cc(C)ccc2C)c1,C64799318_decoy,GCR,Decoy,0,-10.2586,-5.4,-1.88,-5.4042824627146935
O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1Cl,C36635892_decoy,GCR,Decoy,0,-10.2744,-9.83,-1.27,-9.061857867088152
Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCSCC3)cc2C)cc1,C65378278_decoy,GCR,Decoy,0,-11.3837,-3.34,-0.62,-5.043039379791195
O=C(c1cnc(-c2cccs2)s1)N1CCC(c2cc3ccccc3[nH]2)CC1,C66353075_decoy,GCR,Decoy,0,-9.72256,-4.6,-4.55,-4.396739896559499
Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1,C04059430_decoy,GCR,Decoy,0,-10.5473,-7.51,-2.2,-8.648581210245904
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1,C04135167_decoy,GCR,Decoy,0,-12.7124,-6.5,-1.32,-6.3184949442980445
CC(C)(C)C1CCC(=NNC(=O)c2ccccc2I)CC1,C04372825_decoy,GCR,Decoy,0,-8.61122,-3.53,-0.69,-4.567957093582665
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Br)c2cccnc12,C03112820_decoy,GCR,Decoy,0,-10.8044,-2.49,-1.57,-3.562892087281861
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1,C04697655_decoy,GCR,Decoy,0,-10.2513,-8.39,-1.18,-8.737180667331625
Cc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c(Cl)c1,C01741580_decoy,GCR,Decoy,0,-9.06009,-8.15,-0.78,-8.275559725574851
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1,C04821811_decoy,GCR,Decoy,0,-12.3372,-7.76,-1.09,-10.097207080457238
O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1Br,C01065269_decoy,GCR,Decoy,0,-9.69604,-3.51,-2.08,-4.29604141901589
C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2,C01019239_decoy,GCR,Decoy,0,-10.7697,-3.1,-3.31,-3.972883587389972
Cc1ccc(NC(=O)COc2ccc(C)cc2Br)c(Br)c1,C06189457_decoy,GCR,Decoy,0,-8.90763,-7.92,-1.43,-11.572142967751674
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(Br)cc1,C06494997_decoy,GCR,Decoy,0,-10.4008,-2.93,-0.71,-4.978787517622593
Cc1c(C(=O)Nc2ccc(Br)cc2)oc2ccc(Br)cc12,C06500492_decoy,GCR,Decoy,0,-9.92524,-3.69,-0.66,-4.364288347518395
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1,C06587017_decoy,GCR,Decoy,0,-8.7911,-2.68,-0.69,-3.3834245752262424
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCCC1,C06144587_decoy,GCR,Decoy,0,-10.7647,-2.91,-1.03,-4.174399593597406
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1,C08567167_decoy,GCR,Decoy,0,-9.51653,-8.45,-0.68,-10.76657539143079
O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2ccc(Br)cc2s1,C01113409_decoy,GCR,Decoy,0,-9.682,-4.29,-3.2,-4.799042742676791
S=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl,C08795534_decoy,GCR,Decoy,0,-10.7489,-8.93,,99.0
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2,C11859526_decoy,GCR,Decoy,0,-11.1163,-3.93,-2.56,-4.421643030682128
COc1cc([C@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]23)cc(Br)c1OC,C12418442_decoy,GCR,Decoy,0,-10.2326,-4.22,-0.51,-4.587013118574021
N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F,C00867542_decoy,GCR,Decoy,0,-9.42955,-3.27,-3.14,-4.190111936659579
O=C(CSc1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1C(F)(F)F,C01043542_decoy,GCR,Decoy,0,-9.01546,-10.59,-0.88,-8.761910230863512
CCn1c2ccccc2c2cc([C@H]3Nc4c(C#N)cccc4[C@H]4C=CC[C@H]43)ccc21,C13642313_decoy,GCR,Decoy,0,-9.8386,-3.71,-4.29,-3.730255926558296
CCN(C(=O)c1cccc2c1N[C@H](c1ccccc1C)[C@H]1CC=C[C@H]21)c1ccccc1,C14479010_decoy,GCR,Decoy,0,-9.18765,-2.63,-3.51,-3.785699430693738
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549527_decoy,GCR,Decoy,0,-12.3943,-2.15,-2.07,-4.24885901614565
Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccc(Br)cc1,C14642537_decoy,GCR,Decoy,0,-10.0577,-8.63,-1.5,-9.856238605646242
CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1,C15865691_decoy,GCR,Decoy,0,-6.13001,-3.34,-4.59,-2.712074326863952
O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(Br)cc1Cl,C19203706_decoy,GCR,Decoy,0,-10.9596,-7.67,-2.38,-7.393546991067694
CCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1,C20132552_decoy,GCR,Decoy,0,-10.0201,-7.61,-4.37,-9.98207357627273
Brc1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]23)cc1,C20680968_decoy,GCR,Decoy,0,-11.8196,-10.28,-0.7,-17.273778615868263
Brc1ccc([C@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20681179_decoy,GCR,Decoy,0,-9.91835,-4.0,-3.3,-4.487942404933436
O=C1CCCC2=C1[C@H](c1cccs1)N(Cc1ccccc1F)c1ccccc1N2,C21722463_decoy,GCR,Decoy,0,-9.62,-2.94,-2.1,-3.713576577408974
Clc1cc(Br)ccc1NCc1cc2c(cc1Br)OCO2,C35116807_decoy,GCR,Decoy,0,-10.1456,-7.67,-0.19,-7.589330002736246
Clc1cc(Br)cc(Cl)c1NCc1cccc2c1OCCO2,C36168330_decoy,GCR,Decoy,0,-9.33882,-8.09,-2.44,-6.972453654618862
O=C(Nc1nc2c(Br)cccc2s1)c1ccc(C(F)(F)F)cc1,C36633219_decoy,GCR,Decoy,0,-8.76814,-1.47,-1.97,-3.05403046834042
C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(I)cc1,C37200254_decoy,GCR,Decoy,0,-8.1987,-7.4,-0.76,-6.353148977795598
C[C@@H](Nc1cc2c(cc1Cl)OCO2)c1ccc(I)cc1,C37281491_decoy,GCR,Decoy,0,-9.0485,-7.2,-0.92,-7.77780735520741
Clc1ccc(NCc2cc(Br)c3c(c2)OCCO3)c(Cl)c1,C37324733_decoy,GCR,Decoy,0,-9.96586,-7.89,-1.96,-8.201664607360684
O=S(=O)(NC1CCCCCC1)c1ccc(Br)cc1Br,C37575761_decoy,GCR,Decoy,0,-9.97238,-3.18,-1.31,-4.209081536789884
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1O,C27519475_decoy,GCR,Decoy,0,-10.662,-4.46,-1.74,-4.996552647667078
N#C/C(C(=O)c1ccc(Cl)cc1Cl)=C1\Nc2cc(C(F)(F)F)ccc2S1,C20362922_decoy,GCR,Decoy,0,-8.30378,-3.45,-0.31,-3.311287759307609
N#C/C(=C/c1ccc(Br)cc1F)C(=O)Nc1cc(Cl)ccc1Cl,C39486092_decoy,GCR,Decoy,0,-10.1438,-4.75,-3.23,-4.652512848112536
Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C1(CCC2)SCCS1,C39851955_decoy,GCR,Decoy,0,-11.3382,-5.75,-1.66,-5.641478349858653
O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccc(Br)cc1,C40224202_decoy,GCR,Decoy,0,-9.05465,-10.18,-3.13,-10.599894426848978
C[C@@]12CC[C@H]3[C@H](CC[C@@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@]43C)[C@H]1CC[C@@H]2CO,C43764237_decoy,GCR,Decoy,0,-11.4577,-4.03,-0.95,-4.521104934880071
Brc1cc(CNc2ccc(-c3nccs3)cc2)oc1Br,C50360827_decoy,GCR,Decoy,0,-10.3034,-7.88,-0.71,-12.949082725147075
O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(Br)cc1Cl,C59363417_decoy,GCR,Decoy,0,-9.50599,-4.51,-4.91,-3.057347926208279
N#Cc1c(/N=C/c2cc(Cl)cc(Br)c2O)sc2c1CCCC2,C00974416_decoy,GCR,Decoy,0,-10.6733,-5.98,-3.16,-4.902020895733954
O=C(Nc1cc(Br)ccc1Br)c1ccc(Cl)nc1Cl,C60098822_decoy,GCR,Decoy,0,-10.5815,-8.43,-2.25,-8.491004402882457
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1,C04135168_decoy,GCR,Decoy,0,-12.6397,-8.32,-3.47,-8.537120183711554
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)cc1,C06421331_decoy1,GCR,Decoy,0,-9.44476,-3.97,,-3.776195021190469
Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)c1,C03961638_decoy,GCR,Decoy,0,-10.3336,-6.35,-2.65,-7.536386797524961
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1Cl,C01194102_decoy,GCR,Decoy,0,-9.87514,-4.89,-1.81,-5.177117503957926
CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Br)ccc21,C01124078_decoy,GCR,Decoy,0,-9.31492,-4.0,-3.14,-4.222700556083927
C[C@H](Oc1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCC2,C01102473_decoy,GCR,Decoy,0,-10.2327,-4.38,-4.02,-4.945003131711156
N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccccc1,C04675944_decoy,GCR,Decoy,0,-8.40555,-7.07,-3.78,-7.18372373079646
O=C(CCl)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12,C02202342_decoy,GCR,Decoy,0,-9.0209,-6.8,-1.93,-10.559763634455791
C[C@H](NC(=O)CN1C(=O)CCSc2ccccc21)C12CC3CC(CC(C3)C1)C2,C05069209_decoy,GCR,Decoy,0,-10.2262,-5.01,-1.69,-5.412702240424589
O=C(CSc1nc2cc(Br)cnc2[nH]1)c1ccc2ccccc2c1,C05454443_decoy,GCR,Decoy,0,-10.8581,-9.82,-0.43,-8.509890001046687
CC(C)(C)[C@@H]1CCc2c(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)csc2C1,C06022894_decoy,GCR,Decoy,0,-8.65781,-4.34,-3.85,-4.303225871481062
C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(Br)cc1,C06115424_decoy,GCR,Decoy,0,-10.0555,-3.69,-5.67,-4.764406017771823
N#C[C@H](C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)c1c(Cl)cccc1Cl,C06500122_decoy,GCR,Decoy,0,-9.94639,-7.24,-2.41,-12.226446394232926
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1,C07166456_decoy,GCR,Decoy,0,-10.088,-6.0,,99.0
Cc1cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)ccc1Br,C07920369_decoy,GCR,Decoy,0,-9.986,-5.48,-0.45,-5.063685217927654
Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Br)c3)CC2=O)cc1Cl,C08218383_decoy,GCR,Decoy,0,-9.39547,-5.97,-2.05,-6.493495889988626
CN(C)c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1,C00919194_decoy,GCR,Decoy,0,-8.59153,-7.42,-1.43,-6.842481552462723
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1,C02300019_decoy,GCR,Decoy,0,-10.2727,2.72,-1.35,-3.3889257040926664
O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1,C09433605_decoy,GCR,Decoy,0,-10.6249,-4.09,-3.57,-4.592416835798176
Cc1cc(C)c(NC(=O)c2ccc(N3CCSc4ncccc43)s2)c(C)c1,C09724443_decoy,GCR,Decoy,0,-10.053,-4.18,-4.34,-4.864099275009167
CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2c(s1)CCCCC2,C12845270_decoy,GCR,Decoy,0,-11.3741,-8.63,-0.68,-11.23982503465362
Cc1cc(Br)ccc1SCC(=O)N1CC(=O)Nc2ccccc21,C12996856_decoy,GCR,Decoy,0,-8.62876,-7.85,-2.08,-7.779515948051334
O=C(/C=c1/[nH]c(=O)/c(=C/c2ccc(-c3ccccc3F)s2)s1)c1ccncc1,C13009431_decoy,GCR,Decoy,0,-11.3123,-9.32,-1.11,-7.541337251738269
Cc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc(C)c1O,C13148859_decoy,GCR,Decoy,0,-9.57593,-5.96,-1.9,-4.986199065177852
O=C(COc1ccc(Cl)cc1Br)Nc1cccc2cccnc12,C14516791_decoy,GCR,Decoy,0,-9.57659,-8.24,-1.47,-8.644051277578223
O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1Br,C15303381_decoy,GCR,Decoy,0,-9.54684,-7.68,-1.28,-7.753618457991183
CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1,C16778370_decoy,GCR,Decoy,0,-9.59964,-8.15,-17.51,-8.321134077646164
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1,C23317900_decoy,GCR,Decoy,0,-9.63916,-3.89,-2.88,-4.881383836981261
O=C(N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl)c1c(Cl)cccc1Cl,C25500996_decoy,GCR,Decoy,0,-9.83939,-7.49,-1.1,-9.973257842730586
COc1cc(I)c(Cl)cc1C(=O)N[C@@H](C)[C@@H]1CCCO1,C27907149_decoy,GCR,Decoy,0,-9.33764,-7.65,-1.33,-7.395968434522625
CC(=O)Nc1sc(/C(C#N)=C\c2ccc(Cl)cc2)nc1-c1ccc(C)cc1,C31875850_decoy,GCR,Decoy,0,-10.3509,-3.03,-3.51,-4.373843168281924
O=S1(=O)c2ccccc2N[C@@H](c2ccc(F)c(F)c2)N1Cc1cccs1,C32986969_decoy,GCR,Decoy,0,-9.31434,-3.76,-3.9,-4.069057296030139
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccc(F)c(Cl)c3)C1)C2,C39266985_decoy,GCR,Decoy,0,-10.76,-0.41,-1.87,-3.678116985771699
CS[C@H]1CCC[C@@]2(CCC[C@@H](c3ccccc3O)N2S(=O)(=O)C(C)C)C1,C39527726_decoy,GCR,Decoy,0,-9.61897,-3.53,-3.51,-4.43040604819729
Cc1cc(C)c(NC(=O)/C(C#N)=C\C2=Cc3cc(Br)ccc3OC2)c(C)c1,C40154957_decoy,GCR,Decoy,0,-10.5424,-4.0,-2.13,-4.741291074808438
C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Br)cc1,C14214572_decoy,GCR,Decoy,0,-9.70088,-4.9,-3.97,-4.727226480245541
C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)c2ccccc2S1,C28504272_decoy,GCR,Decoy,0,-10.3856,-2.37,-1.04,-4.27666566729784
O=C(/C=C/c1c(Br)ccc2c1OCO2)Nc1cccc(Br)c1,C48545690_decoy,GCR,Decoy,0,-10.4547,-7.02,-1.49,-7.25971181557648
CNc1nc(COc2cccc(I)c2)nc2sccc12,C50832799_decoy,GCR,Decoy,0,-10.125,-3.64,-2.78,-4.253322316648767
CC(C)NC(=O)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccc(Cl)cc1,C00964233_decoy,GCR,Decoy,0,-9.59082,-3.4,-2.24,-4.327624290426242
CSc1nc(/N=C/c2cc3cc(C)ccc3[nH]c2=O)c(-c2ccccc2)s1,C04135772_decoy,GCR,Decoy,0,-10.8121,-4.96,-5.07,-5.112510893260801
C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Br)cc1Cl,C14060805_decoy,GCR,Decoy,0,-8.99759,-5.93,-1.58,-6.571811995975659
O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C/c2ccccc2Cl)s1,C58681062_decoy,GCR,Decoy,0,-9.99817,15.27,-1.86,2.228091596473864
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br,C01410765_decoy,GCR,Decoy,0,-9.34048,-3.5,-4.65,-4.069062107906097
CCCN1C(=O)C[C@@H](Nc2c(Br)cc(C)cc2Br)C1=O,C36851473_decoy,GCR,Decoy,0,-9.90502,-7.19,-3.4,-8.066978781943453
O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Br)cc1Cl,C52641924_decoy,GCR,Decoy,0,-9.65499,-8.7,-0.72,-14.691296510129908
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)c(C)c3)C2)c1,C46045604_decoy,GCR,Decoy,0,-10.2829,-5.13,-1.3,-5.056328116646818
O=C(Cc1ccc(F)c(Br)c1)Nc1nc2ccccc2nc1Cl,C64810111_decoy,GCR,Decoy,0,-10.181,-7.75,-1.74,-7.632941309139642
COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2c(F)cccc2s1,C65005153_decoy,GCR,Decoy,0,-10.204,-3.65,-1.07,-4.4210163041471615
O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CCOc2ccccc21,C66901500_decoy,GCR,Decoy,0,-9.39326,-3.73,-0.9,-4.476349065060995
Cc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1,C67252052_decoy,GCR,Decoy,0,-10.2241,-4.01,-2.22,-4.608403392903212
CS[C@@H](C)c1cccc(NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1,C67578834_decoy,GCR,Decoy,0,-11.1733,-3.65,-1.59,-5.3949705409013005
S=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl,C04088142_decoy,GCR,Decoy,0,-10.4077,-6.79,-4.21,-8.47523386178182
O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2cccc3ccccc23)N1c1ccc(F)cc1,C02199451_decoy,GCR,Decoy,0,-9.08691,-4.67,-4.02,-4.341577390509554
O=C1C(Nc2ccc(F)cc2)=C[C@H](c2cccc3ccccc23)N1c1ccc(F)cc1,C02199450_decoy,GCR,Decoy,0,-8.18407,-5.28,-2.39,-4.0722732996161
Cc1ccc([C@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1,C02061304_decoy,GCR,Decoy,0,-9.39292,-4.46,-2.21,-4.521600248102645
O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccc3ccccc3c12,C02074776_decoy,GCR,Decoy,0,-5.80838,-5.95,-4.68,-3.392589014048374
O=C(/C=C\c1ccccc1)N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl,C04552088_decoy,GCR,Decoy,0,-11.2948,-7.42,-3.22,-10.30292403591534
O=C(/C=C\c1ccccc1)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl,C04552089_decoy,GCR,Decoy,0,-10.9183,-8.47,-3.46,-9.961560679130049
CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1,C02103443_decoy,GCR,Decoy,0,-11.2671,-3.5,-5.53,-4.766046588517924
CCCc1nc2c(Br)cc(Br)cn2c1NC1CCCCC1,C04720308_decoy,GCR,Decoy,0,-9.98498,-6.58,-3.46,-9.159915625140703
C=CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12,C04739945_decoy,GCR,Decoy,0,-8.90237,-3.56,-2.09,-3.800030326601754
Oc1ccc(/N=C/c2ccc(-c3ccc(-c4ccc5ccccc5n4)s3)s2)cc1,C02267302_decoy,GCR,Decoy,0,-12.8538,12.16,-1.06,-0.2187702948311657
Cc1ccc(N[C@H](CC(=O)c2ccc(C)cc2)c2ccc(Br)cc2)cc1,C02843362_decoy,GCR,Decoy,0,-9.22225,-7.29,-3.7,-7.936155419747411
C[C@@H]1CCc2c(sc3nc([C@@H](C)SCc4cccc5ccccc45)[nH]c(=O)c23)C1,C02655145_decoy,GCR,Decoy,0,-9.95331,-7.14,-1.33,-7.664047366236087
O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl)c1ccc(Cl)cc1,C08398614_decoy,GCR,Decoy,0,-10.1114,-8.47,-0.8,-8.972578325888431
Nn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccc(Cl)cc1,C02143711_decoy,GCR,Decoy,0,-10.9089,-4.13,-1.42,-4.993494927414129
COc1ccc([C@H](C)CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(O)c1,C01022128_decoy,GCR,Decoy,0,-11.0272,-7.86,-1.34,-7.790856648820876
CC(/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1)=C\c1ccccc1,C08427130_decoy,GCR,Decoy,0,-6.83881,-4.37,-3.48,-3.3908506032311814
ON=C(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1,C12338550_decoy,GCR,Decoy,0,-10.4723,-7.09,-1.96,-8.288177440601414
Cc1cc(C)c2nc(SCC(=O)Nc3ccc(Br)cc3)cc(C)c2c1,C06330170_decoy,GCR,Decoy,0,-10.8969,-7.62,-1.91,-7.669881967679069
COc1cc([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC,C09763779_decoy,GCR,Decoy,0,-11.7378,-3.04,-1.02,-4.440096157490339
O=C(/C=C/c1ccccc1)N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl,C13471696_decoy,GCR,Decoy,0,-10.8915,-7.92,-2.34,-11.058300551233945
O=C(/C=C/c1ccccc1)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl,C13471699_decoy,GCR,Decoy,0,-9.99626,-4.32,-4.11,-5.115745839186333
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl,C02790961_decoy,GCR,Decoy,0,-9.53652,-4.24,-0.74,-4.772095649787363
O=C(CSc1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1,C03264267_decoy,GCR,Decoy,0,-10.6649,-7.5,-1.84,-9.530136145338156
Cc1ccc(C(=O)C[C@@H](Nc2cccc(C)c2)c2ccc(Br)cc2)cc1,C16291765_decoy,GCR,Decoy,0,-9.14377,-4.74,-2.79,-4.733965714290231
Cc1ccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1,C16292032_decoy,GCR,Decoy,0,-10.1504,-10.43,-0.53,-17.61160644679825
Cc1ccc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1,C16292034_decoy,GCR,Decoy,0,-10.2305,-4.0,-2.46,-4.396641150665713
Oc1ncnc(/C=C/c2ccc(Br)cc2)c1Cc1cccc2ccccc12,C16856481_decoy,GCR,Decoy,0,-9.50769,-8.9,-2.13,-7.886123437022812
Clc1ccc([C@@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)c(Cl)c1,C20712757_decoy,GCR,Decoy,0,-10.1928,-4.86,-2.24,-5.000740053449087
O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)Nc1ccc(Cl)cc1,C20856107_decoy,GCR,Decoy,0,-10.4655,-5.03,-4.74,-5.189756443438002
O=C(Nc1ccccc1Br)N1CCc2c(sc3c2CCCC3)[C@@H]1c1ccccc1,C21047519_decoy,GCR,Decoy,0,-8.01953,-2.45,-1.72,-3.293287381863315
Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1Br,C21222877_decoy,GCR,Decoy,0,-11.2908,-4.96,-4.75,-4.798273159300461
Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1Br,C21222879_decoy,GCR,Decoy,0,-11.951,-3.45,-2.27,-4.27756974752035
Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1,C26570235_decoy,GCR,Decoy,0,-10.582,-4.09,-3.62,-4.572068758103201
Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1,C26575816_decoy,GCR,Decoy,0,-10.2838,-4.42,-2.63,-4.756453246585189
Cc1ccc(SC(=O)N[C@@H](Sc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1,C26771238_decoy,GCR,Decoy,0,-9.1147,-7.86,-3.22,-11.328691394409246
CCCOc1ccc(Br)cc1CNc1ccc(Br)cc1C,C35018458_decoy,GCR,Decoy,0,-9.96355,-7.15,-2.07,-10.396459610272684
CCCn1cc(Br)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl,C36859618_decoy,GCR,Decoy,0,-10.7006,-8.17,-0.99,-9.72409954599363
CCCOc1ccc([C@@H](C)Nc2ccc(Br)cc2Br)cc1,C36956857_decoy,GCR,Decoy,0,-10.2325,-7.72,-0.74,-8.791140437033679
CCCOc1ccc([C@@H](C)Nc2cc(Br)ccc2Br)cc1,C37121660_decoy,GCR,Decoy,0,-9.92214,-7.53,-3.6,-8.439696427283017
CCCOc1ccc([C@H](C)Nc2cc(Br)ccc2Br)cc1,C37121661_decoy,GCR,Decoy,0,-10.4464,-8.16,-0.88,-12.646807830963873
FC(F)SCc1ccc(CNc2c(Cl)cc(Br)cc2Cl)o1,C37249084_decoy,GCR,Decoy,0,-9.89928,-7.6,-1.9,-7.740087985588806
O=C(N[C@@H](c1ccccc1)c1ccccc1Br)C(c1ccccc1)c1ccccc1,C03315043_decoy,GCR,Decoy,0,-10.75,-4.89,-3.37,-5.432219644800141
O=C(N[C@H](c1ccccc1)c1ccccc1Br)C(c1ccccc1)c1ccccc1,C03315044_decoy,GCR,Decoy,0,-10.6481,-4.62,-1.41,-5.20041511156962
C/C(=N\Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc2ccccc12,C43761312_decoy,GCR,Decoy,0,-11.4752,-6.34,-1.32,-5.745928928619218
O=C(c1ccccc1O)[C@@H](Cc1ccc(Br)cc1)Sc1ccccc1,C44603148_decoy,GCR,Decoy,0,-10.4192,-8.56,-2.15,-10.763993353871124
Cc1ccccc1[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1,C44841803_decoy,GCR,Decoy,0,-10.6576,-4.72,-5.28,-5.562734005528201
C[C@H](Nc1c(Br)cc(Br)cc1Br)C(=O)N1CCCCC1,C57348058_decoy,GCR,Decoy,0,-9.87594,-7.38,-0.83,-10.893229793908294
O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1,C59371608_decoy,GCR,Decoy,0,-9.94279,-4.9,-4.74,-5.177158773684147
O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1,C16400614_decoy,GCR,Decoy,0,-8.24036,-4.43,-4.8,-4.416607471866339
Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3)sc2c1,C02643125_decoy,GCR,Decoy,0,-12.7685,-7.62,-4.79,-10.740845612352688
CCN(CC)c1ccc([C@@H]2Nc3c(ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc1,C02903641_decoy,GCR,Decoy,0,-12.1563,-3.0,-1.76,-4.691333310686868
CCCCC#C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccc(Cl)cc1,C03049346_decoy,GCR,Decoy,0,-9.13435,-5.26,-2.54,-6.45887362598062
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1,C02865493_decoy,GCR,Decoy,0,-10.8327,-4.44,-7.48,-4.981436212393708
CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N,C08443525_decoy,GCR,Decoy,0,-11.7351,-3.06,-4.21,-4.720212307412796
CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N,C08443532_decoy,GCR,Decoy,0,-11.1033,-7.27,-2.3,-11.156311349656468
CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12,C02752574_decoy,GCR,Decoy,0,-6.37384,-4.89,-4.45,-3.5707470862460804
Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3cc(Br)ccc3n2)cc1,C02088687_decoy,GCR,Decoy,0,-9.51053,-4.87,-2.88,-4.9781437526664325
N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CC12CC3CC(CC(C3)C1)C2,C08454521_decoy,GCR,Decoy,0,-10.1024,-3.57,-5.7,-4.260352121444747
Cc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1Cl,C08854458_decoy,GCR,Decoy,0,-12.6291,-7.89,-5.37,-8.321491217131314
Cc1ccc(NC(=O)Cc2csc(SCc3ccc(Br)cc3)n2)c(C)c1,C08854604_decoy,GCR,Decoy,0,-10.6968,-8.12,-1.84,-8.495752185280782
Cc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3Cl)n2)cc1,C08935731_decoy,GCR,Decoy,0,-11.3908,-7.08,-1.14,-7.902904723508518
CC(C)Sc1ccc(CC(=O)Nc2sccc2-c2nc3ccccc3s2)cc1,C12071034_decoy,GCR,Decoy,0,-12.1615,-3.7,-2.36,-5.734082030134482
CCCCOc1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1,C12410805_decoy,GCR,Decoy,0,-10.2875,-8.14,-1.13,-8.297763572320102
CCCNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3,C12566647_decoy,GCR,Decoy,0,-11.7541,-8.18,-0.98,-9.491054153918608
CC(C)Nc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3,C12640350_decoy,GCR,Decoy,0,-11.8701,-5.37,-3.19,-7.944686965817087
O=C(NCCC1=CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1,C06782043_decoy,GCR,Decoy,0,-7.70474,-4.35,-4.87,-4.000278214526201
O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1,C03213082_decoy,GCR,Decoy,0,-10.5165,-3.35,-4.92,-4.450305675245623
Cc1ccc([C@H](O)[C@@H](Sc2ccccc2)n2c(C(C)(C)C)nc3ccccc32)cc1,C05285929_decoy,GCR,Decoy,0,-9.63865,5.7,-2.04,-1.3249435171421446
Cc1ccc([C@@H](O)[C@H](Sc2ccccc2)n2c(C(C)(C)C)nc3ccccc32)cc1,C05285935_decoy,GCR,Decoy,0,-10.3094,-4.6,-3.16,-5.009284886265851
Clc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3[nH]2)cc1,C13230286_decoy,GCR,Decoy,0,-10.0779,-7.35,-2.45,-8.689505190804212
O=C(C[C@H](Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1)c1ccc(Cl)cc1,C08773287_decoy,GCR,Decoy,0,-9.11214,-3.78,-2.54,-4.455569683295786
Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)cc3)sc2c1,C02643126_decoy,GCR,Decoy,0,-10.2349,-3.3,-5.4,-4.1018783718524325
CC[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2,C13959840_decoy,GCR,Decoy,0,-10.1953,-9.33,-2.63,-12.814812727732033
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14458140_decoy,GCR,Decoy,0,-11.4791,-2.73,-4.5,-4.602439549015925
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14475555_decoy,GCR,Decoy,0,-10.9648,-3.48,-2.34,-4.727593992433148
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14475556_decoy,GCR,Decoy,0,-10.9723,-3.95,-4.09,-5.055559620176658
CC(C)Oc1ccc(Br)cc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl,C14667570_decoy,GCR,Decoy,0,-11.3393,-8.72,-2.3,-11.11426877944747
O=C(NCCC(c1ccccc1)c1ccccc1)c1c2c(nc3ccccc13)CCCCC2,C03328320_decoy,GCR,Decoy,0,-10.2392,-9.2,-4.59,-4.958909580609486
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(Cl)cc1Cl,C16491937_decoy,GCR,Decoy,0,-11.0517,-4.97,-2.67,-5.365303750713075
O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(-c2ccsc2)nc2ccccc12,C16568228_decoy,GCR,Decoy,0,-10.6295,-4.14,-3.64,-5.046916560537629
CCCC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1,C20132986_decoy,GCR,Decoy,0,-11.6506,-7.33,-3.65,-9.35781521719284
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc12,C20723445_decoy,GCR,Decoy,0,-11.7149,-3.48,-5.19,-4.708360032414393
O=C(NC1CCCCC1)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1,C20902547_decoy,GCR,Decoy,0,-10.7672,2.57,-4.17,-3.065492490500336
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(F)(F)F)cc2)cc1,C21245571_decoy,GCR,Decoy,0,-11.2014,-3.41,-2.37,-4.316815795953495
c1ccc(CSC2=NC3=C([C@H]([NH+]4CCCCC4)[N-]2)C2(CCCC2)Cc2ccccc23)cc1,C26895776_decoy,GCR,Decoy,0,-8.91332,-2.62,-3.05,-3.563889411597528
Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1,C30871358_decoy,GCR,Decoy,0,-9.0492,-4.47,-2.54,-4.694093761360963
O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)Nc1ccc(Cl)cc1,C33560123_decoy,GCR,Decoy,0,-10.9535,-9.02,-4.54,-10.772965977033374
Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1,C48544764_decoy,GCR,Decoy,0,-10.1795,-4.33,-5.37,-4.727935680413236
Cc1ccc(C)c(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1,C48544783_decoy,GCR,Decoy,0,-10.3415,-4.7,-3.84,-5.26899189777576
O=C(Nc1cccc2ccccc12)c1ccc(OC(F)(F)C(F)(F)Br)cc1,C59056692_decoy,GCR,Decoy,0,-8.98336,10.99,-0.98,0.8182067176530293
Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1Cl,C59267781_decoy,GCR,Decoy,0,-11.4711,-2.79,-0.97,-4.615584976884886
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1ccc(F)c(Cl)c1,C59268114_decoy,GCR,Decoy,0,-10.7048,-7.39,-1.38,-7.691061168585258
Cc1ccc(NC(=O)CCSc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,C59268578_decoy,GCR,Decoy,0,-11.8116,-7.39,-1.44,-8.07614827360658
O=C(CCSc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1cccc(Cl)c1,C59268684_decoy,GCR,Decoy,0,-10.5995,-4.33,-2.09,-5.385280825011137
O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3s2)c1,C59410336_decoy,GCR,Decoy,0,-10.5268,-8.39,-2.21,-8.507580155624563
Cc1ccc(-c2csc(C(=O)Nc3ccc(Br)cc3)c2-n2cccc2)cc1,C64472576_decoy,GCR,Decoy,0,-9.90512,-4.06,-1.15,-4.474760027023311
Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1,C64983535_decoy,GCR,Decoy,0,-10.2067,-4.03,-1.38,-4.685879964748222
Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1,C64983536_decoy,GCR,Decoy,0,-9.84389,-6.81,-1.64,-8.215729892877741
CC(C)(C)c1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O,C19842675_decoy,GCR,Decoy,0,-10.8968,-3.08,-6.2,-4.373956830065096
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc2c3c(cccc13)CC2,C04108324_decoy,GCR,Decoy,0,-9.44275,-9.09,-3.85,-8.690378299401084
O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Sc1cccs1,C01037654_decoy,GCR,Decoy,0,-9.82565,-8.18,-2.06,-9.473236253162284
C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc2cc(Cl)ccc2s1,C01438317_decoy,GCR,Decoy,0,-11.1293,-6.98,-4.76,-8.159511369352145
C[C@@H]1CCc2c(c(SCC(=O)NC3CCCC3)nc3ccccc23)C1,C01325309_decoy,GCR,Decoy,0,-9.52535,-8.63,-4.83,-11.312066105041827
Cc1cc2oc(=O)cc(CNc3ccc(Br)cc3)c2cc1C,C05090124_decoy,GCR,Decoy,0,-9.207,-8.3,-1.44,-8.744171975738466
Cc1ccc(SCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1,C05190603_decoy,GCR,Decoy,0,-10.546,-4.44,-0.75,-4.584395591501385
CC(C)(C)C1CCC(=NNC(=O)c2cccc(Br)c2)CC1,C05383602_decoy,GCR,Decoy,0,-8.00507,-6.36,-1.77,-4.895213538531791
N#Cc1c(N/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2,C06317399_decoy,GCR,Decoy,0,-10.3968,-5.41,-6.62,-5.979291318599571
Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1,C06386495_decoy,GCR,Decoy,0,-8.69467,-7.04,-1.16,-11.089375802559454
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1,C03342300_decoy,GCR,Decoy,0,-8.85295,-5.54,-1.32,-4.767488098073484
C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(Br)cc1Cl,C06838308_decoy,GCR,Decoy,0,-9.2053,-7.04,-1.92,-11.528245563376796
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1Cl,C07751129_decoy,GCR,Decoy,0,-9.22045,-4.73,-2.27,-4.934910760894616
CC(C)[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1cccs1,C08013184_decoy,GCR,Decoy,0,-10.4625,-5.76,-0.9,-7.9884779048532355
CSc1ccc(CC(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1,C09565220_decoy,GCR,Decoy,0,-12.3829,-3.95,-2.51,-5.500224136026995
Cc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c(C)c1,C09876896_decoy,GCR,Decoy,0,-9.85689,-8.42,-0.93,-7.91079965274875
CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSC)cc1,C11717928_decoy,GCR,Decoy,0,-10.3641,-3.7,-1.77,-4.885207678718932
O=C(NN=C1CCCc2ccccc21)C(c1ccccc1)c1ccccc1,C12376004_decoy,GCR,Decoy,0,-9.74862,-7.81,-5.28,-11.04854396476514
Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc(Cl)cc1,C12979081_decoy,GCR,Decoy,0,-10.506,-8.81,-1.74,-13.383436549162406
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1,C12984223_decoy,GCR,Decoy,0,-8.53358,-8.56,-3.48,-7.955732326477055
COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)s1,C13003368_decoy,GCR,Decoy,0,-9.4494,-7.08,-0.52,-9.026786376953092
Cc1ccc([C@@H](C(=O)Nc2cnc3ccccc3c2)c2ccccc2)cc1,C05553407_decoy,GCR,Decoy,0,-7.62339,-6.25,-4.2,-4.777902760342498
Cc1ccsc1[C@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@@H]21,C14456151_decoy,GCR,Decoy,0,-10.326,-4.05,-2.44,-4.838688716114893
Cc1ccc([C@@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)s1,C14456699_decoy,GCR,Decoy,0,-11.0937,-8.85,-2.56,-15.331603081415532
Cc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)s1,C14456809_decoy,GCR,Decoy,0,-10.1835,-4.8,-3.86,-5.118525079415057
COC(=O)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21,C14475248_decoy,GCR,Decoy,0,-10.2582,-6.05,-3.44,-5.2915374187731326
COC(=O)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21,C14475250_decoy,GCR,Decoy,0,-10.3415,6.22,-0.49,-1.37569548592908
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2,C14551896_decoy,GCR,Decoy,0,-10.291,0.29,0.55,-4.829141333452122
CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(C)s1,C14556001_decoy,GCR,Decoy,0,-9.39364,-7.21,-1.03,-8.41139561272434
C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1,C07544657_decoy,GCR,Decoy,0,-9.19106,-3.92,-1.61,-4.230354167076348
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)ccc1Cl,C16436956_decoy,GCR,Decoy,0,-8.81053,-4.81,-0.82,-4.29495099928089
CC(C)c1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1,C20133419_decoy,GCR,Decoy,0,-8.83002,-7.05,-0.58,-7.247398182185878
OCc1cc2ccccc2nc1Oc1ccc(Cl)cc1Br,C20468894_decoy,GCR,Decoy,0,-9.9047,-6.56,-0.78,-6.44870957065035
COC(=O)c1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21,C20708118_decoy,GCR,Decoy,0,-10.1217,-4.64,-0.17,-4.480095847147983
COc1ccc(OC)c2c1N[C@H](c1ccc(SC)cc1)[C@@H]1CC=C[C@H]21,C20758763_decoy,GCR,Decoy,0,-10.0869,-2.01,-2.97,-3.731202914147255
Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccc(F)c3F)C2)c1,C15005668_decoy,GCR,Decoy,0,-9.5514,-9.6,-0.48,-9.60826446340304
C[C@@H](NC(=O)/C=C/c1cccc2cccnc12)c1cccc2ccccc12,C25152253_decoy,GCR,Decoy,0,-9.62239,-5.18,-2.14,-4.850245021384437
Cc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)c1C,C27467341_decoy,GCR,Decoy,0,-10.2773,-7.25,-5.06,-9.60237047479222
Cc1ccc(Cl)cc1NCc1cc(Br)c2c(c1)OCO2,C36897250_decoy,GCR,Decoy,0,-8.58406,-7.44,-0.8,-9.742663445785674
COc1ccc(N[C@@H]2CCCOc3cc(Br)ccc32)cc1,C37216266_decoy,GCR,Decoy,0,-8.84848,-8.32,-1.46,-7.464297487820734
C[C@H](Nc1cc2c(cc1Cl)OCO2)c1sccc1Br,C37281570_decoy,GCR,Decoy,0,-9.48627,-7.21,-0.7,-9.951467099832575
Cc1ccc(NCc2cc(Br)c3c(c2)OCO3)c(Cl)c1,C37324675_decoy,GCR,Decoy,0,-8.92046,-7.69,-0.76,-8.878570575281156
CC1(C)Oc2ccc(NCc3ccc(Br)cc3F)cc2O1,C37413342_decoy,GCR,Decoy,0,-8.69883,-7.61,-1.64,-6.609171547779098
O=C(NCC1(c2ccc(F)cc2)CC1)C1c2ccccc2Oc2ccccc21,C38591331_decoy,GCR,Decoy,0,-9.60796,-8.59,-3.22,-9.178065035578518
N#CC1=C(SCC2=CCCC=C2)NC(=O)C[C@H]1c1ccc(Cl)cc1,C40486344_decoy,GCR,Decoy,0,-9.77255,-5.98,-3.25,-5.141956072632813
CSc1ccc(Cl)cc1NC(=O)c1nc(Cl)ccc1Cl,C49319095_decoy,GCR,Decoy,0,-9.82072,-3.72,-2.35,-4.281959768776599
COc1ccc(Br)cc1N[C@@H](C)c1nc2ccccc2s1,C49563049_decoy,GCR,Decoy,0,-9.05249,-3.53,-1.49,-3.738319392054772
N#C/C(=C\Nc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1,C04175277_decoy,GCR,Decoy,0,-10.3318,-9.33,-4.61,-10.266727042978172
CO[C@H](C(=O)Nc1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1,C57350412_decoy,GCR,Decoy,0,-9.65486,-9.29,-1.64,-13.90818791357329
O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1c(F)cccc1F,C57381414_decoy,GCR,Decoy,0,-10.1986,-3.41,-3.97,-4.312332002585881
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1C,C08479863_decoy,GCR,Decoy,0,-9.11244,3.13,-2.46,-2.223408305252543
COCCCn1c(C)cc(C(=O)CSc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)c1C,C03455171_decoy,GCR,Decoy,0,-7.11204,-3.98,-2.1,-3.72889401378334
CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)N[C@H](C)Cc4ccccc4)c23)CO1,C08739332_decoy,GCR,Decoy,0,-11.3143,-3.84,-3.6,-5.25444710246532
CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)NC2CCCCC2)cc1,C08921957_decoy,GCR,Decoy,0,-11.4782,-9.28,-1.95,-14.3185969303194
COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=S)Nc1ccc(Cl)cc1)CC2,C08922728_decoy,GCR,Decoy,0,-11.663,-4.27,-5.19,-5.713952840917657
CCOc1ccc(NC(=O)[C@H](C)n2c(SCc3ccccc3Cl)nc3ccccc32)cc1,C08950987_decoy,GCR,Decoy,0,-10.5598,-6.02,-4.13,-5.941110930884293
Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1,C01895924_decoy,GCR,Decoy,0,-10.7936,-9.04,-1.39,-7.366209259915403
COc1ccc([C@@H](NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c2ccccc2)cc1,C09222432_decoy,GCR,Decoy,0,-8.98406,-3.25,-4.33,-4.306178542484495
O=C(CSc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1)NCCC1=CCCCC1,C02950871_decoy,GCR,Decoy,0,-12.0409,-5.55,-3.36,-6.409687265838082
Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1,C01858931_decoy,GCR,Decoy,0,-9.81202,-3.63,-4.44,-4.702944859248656
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1c(F)cccc1Cl,C12465579_decoy,GCR,Decoy,0,-11.706,-6.87,-2.76,-8.36453104431748
O=C(CCC(=O)c1ccc(Cl)cc1)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1,C03316491_decoy,GCR,Decoy,0,-11.1009,-4.18,-4.11,-5.470234304195197
Cc1ccc(Cn2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nc3ccccc32)cc1,C09635849_decoy,GCR,Decoy,0,-10.1128,-7.38,-4.44,-7.318253462439439
CC[C@H](C)c1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1,C13497790_decoy,GCR,Decoy,0,-11.2676,-3.83,-2.42,-5.40638530128184
CCOc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1,C13498184_decoy,GCR,Decoy,0,-10.0905,-3.14,-4.65,-3.914753961929621
CC(=O)c1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1,C13498307_decoy,GCR,Decoy,0,-10.5,-5.01,,99.0
O=C(CSc1ccccc1C(=O)OCc1nc2ccccc2s1)NC1CCCCCCC1,C13524892_decoy,GCR,Decoy,0,-10.1801,-8.36,-4.07,-10.08756891167386
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Cl)c(Cl)c1,C01825573_decoy,GCR,Decoy,0,-12.667,-8.05,-2.23,-7.81641097415286
CCOC(=O)c1c(NC(=O)COc2ccc([C@@H](C)CC)cc2Br)sc2c1CCC2,C14831863_decoy,GCR,Decoy,0,-11.5778,-5.34,-4.48,-6.7992094954338365
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1,C02772171_decoy,GCR,Decoy,0,-12.3688,-3.86,-4.32,-3.820065174903601
CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1)c1ccc(C)cc1C,C22345328_decoy,GCR,Decoy,0,-10.3694,-7.65,-3.95,-12.166748075973096
CC[C@@H](C)c1ccc([C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)c2cccs2)cc1,C27070865_decoy,GCR,Decoy,0,-12.2892,-5.32,-3.09,-7.255247190358999
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC)c(I)c2)cc1,C30822651_decoy,GCR,Decoy,0,-9.91652,-8.32,-3.44,-9.14561951164567
C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C(=O)NCCC)cc2)cc1,C33058576_decoy,GCR,Decoy,0,-7.59763,-4.47,-3.45,-4.139209028636121
CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(Br)cc1,C01944046_decoy,GCR,Decoy,0,-10.7434,-3.95,-5.14,-5.269945816926976
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)COc1cc(C)ccc1C,C01944357_decoy,GCR,Decoy,0,-10.1449,-7.24,-3.59,-9.355066173476988
COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc(C)c1-c1ccccc1,C01979877_decoy,GCR,Decoy,0,-12.215,-5.66,-2.14,-6.321437038314761
CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c(Br)c1,C01984134_decoy,GCR,Decoy,0,-11.3601,-4.86,-1.09,-6.08334351162853
COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)sc2c1CCC2,C01984176_decoy,GCR,Decoy,0,-11.5001,-5.62,-2.78,-6.556211584603611
CCn1c(SCCCCC(=O)NCCc2ccc(Cl)cc2Cl)nc2ccccc2c1=O,C35141443_decoy,GCR,Decoy,0,-10.7167,-8.02,-3.24,-7.60996353006204
Cc1ccc(-n2c(SCc3ccccc3)nnc2[C@@H](Cc2ccccc2)NC(=O)C2CCC2)cc1,C35226208_decoy,GCR,Decoy,0,-8.77713,-3.58,-2.23,-4.449930563678489
Cc1ccc(-n2c(SCc3ccccc3C)nnc2[C@@H](C)NC(=O)CSc2ccccc2)cc1,C35707815_decoy,GCR,Decoy,0,-10.4664,-6.0,-2.51,-6.895591379457591
CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)C(C)C)CC2)C(=O)NCCC(C)C,C35859394_decoy,GCR,Decoy,0,-11.1693,-3.1,-4.73,-5.0272170451141385
CC[C@H](C(=O)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)CC1CC1)c1ccccc1,C35946266_decoy,GCR,Decoy,0,-11.8879,-2.86,-1.9,-5.252940985111642
OCCCSc1nnc(COc2ccccc2-c2ccccc2)n1-c1ccccc1C(F)(F)F,C36241371_decoy,GCR,Decoy,0,-11.4949,-5.69,-1.64,-5.91572551584548
C/C=C/[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)/C(=C\c1ccccc1)c1ccccc1,C36493914_decoy,GCR,Decoy,0,-8.99449,-3.8,-3.88,-4.555910803866986
Cc1ccccc1CC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)[C@@H](C)c1ccccc1,C36495222_decoy,GCR,Decoy,0,-9.43987,-2.66,-3.79,-4.169630113738379
CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1c(Cl)cccc1Cl)N(Cc1ccco1)C(=O)CCS,C36501464_decoy,GCR,Decoy,0,-10.725,-2.65,-3.67,-5.149644620516629
CC[C@@H](C(=O)N(C)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(N(C)C)cc1)c1ccccc1,C36527683_decoy,GCR,Decoy,0,-7.33889,-2.64,-3.11,-3.700251780749871
C/C=C\[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)o1)C(=O)Cc1cccc(Cl)c1Cl,C36597940_decoy,GCR,Decoy,0,-10.5656,-10.33,-3.98,-11.006754629340664
C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1,C36820826_decoy,GCR,Decoy,0,-12.367,-8.71,-3.47,-15.166577502131304
CC[C@H](Oc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(=O)CC(C)C)CC2)C(=O)NCC1CC1,C37603657_decoy,GCR,Decoy,0,-10.8739,-9.55,-2.13,-15.839528736981936
Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)C(c3ccccc3)c3ccccc3)cs2)c1,C39583772_decoy,GCR,Decoy,0,-8.13365,-7.22,-4.78,-5.504498701417462
Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)/C=C/c3cccc(C(F)(F)F)c3)cs2)c1,C39585757_decoy,GCR,Decoy,0,-10.8642,-7.51,-5.09,-9.036121716754057
C=CCc1ccccc1OCCn1c([C@H](C)NC(=O)c2cccc(Br)c2)nc2ccccc21,C40294646_decoy,GCR,Decoy,0,-9.64776,-9.7,-1.98,-10.88649819906027
CO[C@H](C(=O)N(c1ccccc1)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1)c1ccccc1,C36605371_decoy,GCR,Decoy,0,-9.03056,-2.43,-2.85,-3.981029378404921
CCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)N(C(=O)c1ccco1)c1ccccc1,C36608523_decoy,GCR,Decoy,0,-9.95119,-3.77,-3.23,-5.00712189679803
CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1,C58871572_decoy,GCR,Decoy,0,-11.6639,-9.01,-4.09,-12.893656587154052
O=C(CCCSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl,C58971831_decoy,GCR,Decoy,0,-10.4121,-9.87,-3.61,-9.715198823664045
O=C(CCCSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1)NC[C@H]1CCCO1,C58974713_decoy,GCR,Decoy,0,-11.2211,-6.11,-4.24,-9.919009987949655
CCCC(=O)NC[C@H]1CCCN(C(=O)c2sc(-c3ccccc3)cc2OCc2ccccc2)C1,C60360714_decoy,GCR,Decoy,0,-10.6733,-3.59,-3.25,-5.08250856248658
CCc1cccc(CC)c1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl,C04288214_decoy,GCR,Decoy,0,-10.373,-8.66,-3.16,-10.556477767061043
O=c1c(NCc2ccccc2)c(SCc2ccccc2)cnn1Cc1ccccc1,C02183676_decoy,GCR,Decoy,0,-9.84703,-5.46,-3.45,-5.3893584703707695
CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1,C04555248_decoy,GCR,Decoy,0,-9.36766,-3.39,-3.46,-4.443295449612569
CCOc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)sc2c1,C00671848_decoy,GCR,Decoy,0,-10.7845,-9.05,-1.67,-15.357887584937144
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(SCc2ccc(F)cc2)ns1,C04694136_decoy,GCR,Decoy,0,-11.0424,-7.46,-2.03,-7.847326507859889
O=C(CO/N=C/c1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1,C02616183_decoy,GCR,Decoy,0,-9.58712,-6.17,-3.29,-6.249196867704799
CCOc1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1,C06329010_decoy,GCR,Decoy,0,-9.99113,-9.0,-1.6,-11.825578468419408
CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1,C08215524_decoy,GCR,Decoy,0,-9.21921,-4.48,-3.32,-4.419498250493898
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1cccs1,C00646595_decoy,GCR,Decoy,0,-9.24761,-9.82,-4.95,-11.991784818483143
CCCCCCC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1,C08441022_decoy,GCR,Decoy,0,-8.90673,0.82,-1.3,-2.834168067227345
CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(SC(F)F)nc2ccccc21,C09156648_decoy,GCR,Decoy,0,-10.0244,-4.22,-4.32,-4.998768832217093
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21,C09804732_decoy,GCR,Decoy,0,-10.108,-4.71,-2.36,-5.334694533170815
O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2ccccc2c1,C09926197_decoy,GCR,Decoy,0,-10.0733,-6.25,-1.27,-5.8519322307858594
O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)s1,C10058804_decoy,GCR,Decoy,0,-12.3139,-5.38,-0.92,-6.358264099017201
Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H](O)c2ccccc2)c(C)c1,C10227581_decoy,GCR,Decoy,0,-9.7736,-3.81,-5.14,-4.419971996243739
O=C(COC(=O)/C=C/c1ccc(Br)cc1)Nc1ccccc1Br,C10524724_decoy,GCR,Decoy,0,-9.70205,-8.48,-1.67,-8.698961912973262
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2,C13146159_decoy,GCR,Decoy,0,-10.1788,-7.07,-4.61,-9.72382777339652
C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1cccs1,C13163870_decoy,GCR,Decoy,0,-11.9265,-5.25,-5.04,-5.674336738641593
C/C=C/c1ccc(OCC(=O)Nc2ccc(I)cc2C)c(OC)c1,C14351470_decoy,GCR,Decoy,0,-9.66425,-7.74,-3.04,-8.82239808514542
CCN(CC)c1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1,C14462012_decoy,GCR,Decoy,0,-11.6274,10.31,-3.56,-0.678533158269117
CCN(CC)c1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@H]32)cc1,C14462219_decoy,GCR,Decoy,0,-10.496,8.57,-4.88,-1.007963304406335
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2,C14548675_decoy,GCR,Decoy,0,-11.2543,-9.32,-3.31,-11.635862288738029
Cc1ccc(OCc2nc(CC(=O)N[C@@H](C)c3ccc4ccccc4c3)cs2)cc1,C14680543_decoy,GCR,Decoy,0,-9.7691,-7.61,-0.96,-6.825937746227477
C[C@@H](OC(=O)/C=C/c1sc2ccccc2c1Cl)C(=O)Nc1c(F)cccc1F,C18463845_decoy,GCR,Decoy,0,-10.5628,-5.46,-2.05,-5.5690697987282505
Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1,C20109634_decoy,GCR,Decoy,0,-8.7911,-7.96,-3.28,-11.0294050943073
CCN(CC)c1ccc([C@@H]2Nc3ccc(OC[C@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1,C20697304_decoy,GCR,Decoy,0,-11.9253,10.57,-1.92,-0.5497524142256028
CCN(CC)c1ccc([C@@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc1,C20697486_decoy,GCR,Decoy,0,-11.2917,0.97,-1.85,-4.826768651446384
Cc1ccc(-c2csc(-c3cccn3CC(=O)NC[C@H](C)c3ccccc3)n2)cc1,C21656761_decoy,GCR,Decoy,0,-9.67685,-9.92,-1.79,-12.482554903815984
CCc1ccccc1NC(=O)COC(=O)c1cc(Br)c(Br)s1,C22519591_decoy,GCR,Decoy,0,-10.3816,-7.24,-2.68,-11.405450447961757
C[C@H](NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1F,C26163622_decoy,GCR,Decoy,0,-8.60452,-4.4,-3.84,-4.506242507046729
CSc1cccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c1,C33288975_decoy,GCR,Decoy,0,-10.403,-8.59,-2.69,-10.964836567996182
CCCOC(=O)c1cccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)c1,C05978778_decoy,GCR,Decoy,0,-11.2596,-9.86,-3.77,-10.97194941207813
O=C(N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)[C@@H](c1ccccc1)N1CCC1=O,C33710670_decoy,GCR,Decoy,0,-10.4552,-3.08,-2.99,-4.454343618058838
CCOC(=O)[C@@H](c1cc(C)cc(C)c1)[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)c(F)c2)C1,C37341146_decoy,GCR,Decoy,0,-11.0899,-3.67,-1.66,-5.443587894316894
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/C=C/c1ccccc1,C40924804_decoy,GCR,Decoy,0,-11.2423,-6.28,-1.4,-6.554916253035458
CC[C@H](C)c1ccc([C@@H](NC(=O)CCn2c(C)csc2=O)c2cccs2)cc1,C45865813_decoy,GCR,Decoy,0,-10.6772,-7.94,-3.07,-11.652073123912457
O=C(CSc1ncc(-c2cccc(Br)c2)o1)NCCC1=CCCCC1,C45943388_decoy,GCR,Decoy,0,-11.4512,-9.01,-1.12,-8.414402483476863
C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1,C21407319_decoy,GCR,Decoy,0,-10.4416,-8.2,-1.9,-8.52629460956152
CCCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1,C08071565_decoy,GCR,Decoy,0,-10.6039,-8.3,-2.87,-7.905695216276766
CC(=O)Nc1ccc(SCCOC(=O)c2ccc(Cl)cc2Cl)cc1Cl,C57317868_decoy,GCR,Decoy,0,-11.7334,-8.33,-5.62,-8.29149503561986
C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NCCc1cccs1,C57780759_decoy,GCR,Decoy,0,-11.5329,-7.74,-2.71,-13.85269881626238
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1,C28215880_decoy,GCR,Decoy,0,-11.4607,-9.63,-4.31,-11.320378422716717
CCOc1ccc2sc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1,C59038522_decoy,GCR,Decoy,0,-10.199,-7.18,-2.77,-7.303957857974703
CCOc1ccc(NCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1,C59377196_decoy,GCR,Decoy,0,-11.0411,-7.68,-1.08,-9.28727599943543
O=C(COc1ccc(I)cc1)Nc1ccc(OC(F)(F)F)cc1,C59400795_decoy,GCR,Decoy,0,-7.75137,-7.38,-0.94,-6.8529977175783365
CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1ccc(Cl)c(Cl)c1,C60265998_decoy,GCR,Decoy,0,-11.1953,-7.65,-3.96,-9.18749834028599
O=C(NCCc1coc(-c2ccccc2)n1)C1(c2ccc(Br)cc2)CCCC1,C60342357_decoy,GCR,Decoy,0,-10.2468,-4.0,-2.58,-4.589110672835146
CCC/C(=N\CCC1=c2ccccc2=[NH+][C@@H]1C)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C63514853_decoy,GCR,Decoy,0,-10.9462,-6.29,-2.79,-6.294588711454599
CCC/C(=N\CCC1=c2ccccc2=[NH+][C@H]1C)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C63514854_decoy,GCR,Decoy,0,-10.7308,-10.43,-3.38,-10.523225025705909
CCCc1ccc(OCC(=O)Nc2nc3c(F)cccc3s2)c(Br)c1,C65004964_decoy,GCR,Decoy,0,-9.91936,-4.74,-2.48,-6.002760732318889
CC(C)c1ccc([C@H](NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2CCO)C(C)C)cc1,C13046557_decoy,GCR,Decoy,0,-8.37719,-2.9,-1.53,-4.082129574528552
COCCCn1c(SCC(=O)NCCc2ccc(C(C)C)cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13048241_decoy,GCR,Decoy,0,-8.58002,-6.65,-2.36,-6.274962902891617
CCOC(=O)c1c(NC(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])sc(C)c1-c1ccc(C)cc1,C13187631_decoy,GCR,Decoy,0,-9.91326,-4.58,-3.72,-5.210209234747641
CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(OC)cc3)C(C)C)n2CCC(=O)[O-])cc1,C13270651_decoy,GCR,Decoy,0,-10.2024,1.12,-4.48,-4.258338564928508
O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)Nc1cccc(C(=O)[O-])c1,C13344652_decoy,GCR,Decoy,0,-10.4152,-9.02,-3.58,-10.90828578359899
CCOC(=O)C(=CNNC(=O)[C@]1(C(=O)[O-])CC=C(C)C[C@@H]1c1ccc(Br)cc1)C(=O)OCC,C15230718_decoy,GCR,Decoy,0,-7.8643,-2.89,-2.14,-3.936267926933454
CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)NCCCC(=O)[O-],C15971307_decoy,GCR,Decoy,0,-5.419,-3.34,-3.77,-2.58599906574509
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1C,C16805152_decoy,GCR,Decoy,0,-5.93482,-8.05,-3.27,-5.573986220956445
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1C,C24080730_decoy,GCR,Decoy,0,-12.3999,-2.55,-1.54,-5.263668781085602
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1,C24303441_decoy,GCR,Decoy,0,-7.27781,-4.61,-3.79,-4.461586046852927
C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1,C33371121_decoy,GCR,Decoy,0,-11.434,-2.81,-2.71,-6.906381211050763
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccncc2)cc1OCC,C33546082_decoy,GCR,Decoy,0,-5.41148,-3.01,-4.59,-2.623921788827415
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1,C33551094_decoy,GCR,Decoy,0,-9.58178,-4.81,-4.05,-5.46874130081712
CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(/C=C(\[O-])NCCCN3CCOCC3)=CSC2=N1,C34923097_decoy,GCR,Decoy,0,-12.5423,-8.97,-3.97,-10.632256992744862
CCCCCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1,C35568494_decoy,GCR,Decoy,0,-11.3804,-5.26,-2.31,-7.92452037776688
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC3CC3)N2[C@H]1c1cc(OC)cc(OC)c1,C35700969_decoy,GCR,Decoy,0,-11.125,-3.41,-3.49,-5.454670689232294
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@H]1c1cccc([N+](=O)[O-])c1,C35701526_decoy,GCR,Decoy,0,-10.0885,-3.52,-4.48,-4.913091396594307
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])N[C@H](C)CC)N2[C@@H]1c1cccc([N+](=O)[O-])c1,C35705032_decoy,GCR,Decoy,0,-10.0855,-3.34,-4.02,-4.696178591762649
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(/C=C(\[O-])NCc4cccnc4)N32)cc1OC,C35705358_decoy,GCR,Decoy,0,-9.56138,-2.18,-2.47,-3.943571631492759
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@H]1c1ccccc1Cl,C36050063_decoy,GCR,Decoy,0,-10.5479,-2.74,-2.54,-4.767129115345314
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3cccnc3)N2[C@H]1c1ccccc1Cl,C36050083_decoy,GCR,Decoy,0,-10.4775,-3.81,-1.84,-5.285415999265126
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@H]1c1cc(OC)cc(OC)c1,C36050963_decoy,GCR,Decoy,0,-11.0667,-2.59,-4.47,-4.848403623570979
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCc3ccccn3)N2[C@@H]1c1cc(OC)ccc1OC,C36053485_decoy,GCR,Decoy,0,-11.3532,17.99,-1.57,2.757871685987291
CC[C@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC)c(OC)c3)N12,C36058337_decoy,GCR,Decoy,0,-10.512,-3.42,-5.03,-7.50211388816494
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCN3CCOCC3)N2[C@@H]1c1ccccc1F,C36058654_decoy,GCR,Decoy,0,-12.4821,-6.27,-3.9,-8.896163771969846
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC3CC3)N2[C@@H]1c1ccc(OC)cc1OC,C36061133_decoy,GCR,Decoy,0,-10.8595,-3.27,-4.48,-5.111041170300621
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@H]1c1ccc(C)cc1C,C36061165_decoy,GCR,Decoy,0,-7.13122,-6.1,-2.1,-5.083882399646966
CCC1=C(C(=O)OC)[C@@H](c2cc(OC)cc(OC)c2)N2C(/C=C(\[O-])N[C@@H](C)c3ccccc3)=CSC2=N1,C36064477_decoy,GCR,Decoy,0,-10.1107,-1.7,-4.52,-3.960992976043814
CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2OC)N2C(/C=C(\[O-])NCc3ccncc3)=CSC2=N1,C36064529_decoy,GCR,Decoy,0,-10.7644,1.42,-2.79,-4.19505433792812
COc1ccc(SC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1,C36242572_decoy,GCR,Decoy,0,-8.58983,-8.0,-4.66,-7.953507432846213
CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CCOC)ccc1OCCC(C)C,C09308649_decoy,GCR,Decoy,0,-9.66021,-3.27,-4.63,-4.632389521368968
C[C@@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36499703_decoy,GCR,Decoy,0,-4.32075,-2.14,-4.67,-2.470712951735067
C/C=C\[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCCCCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36513898_decoy,GCR,Decoy,0,-9.20401,-4.16,-5.23,-4.98443148346875
CCC(CC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C,C36585901_decoy,GCR,Decoy,0,-4.63621,-7.1,-5.24,-4.409277617106141
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@@H]1[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](CCCC(=O)[O-])CC[C@@H]12,C39370876_decoy,GCR,Decoy,0,-10.2528,-2.98,-3.07,-4.814887733958853
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(CC(C)C)s2)cc1,C39997977_decoy,GCR,Decoy,0,-8.50978,9.16,-4.33,0.2427909224760203
C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SCC)s2)cc1OCC,C39999736_decoy,GCR,Decoy,0,-4.71644,-5.19,-2.28,-3.304129187083034
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccc(CC)cc2)s1,C40000086_decoy,GCR,Decoy,0,-8.70749,-3.29,-4.02,-4.331774696958296
CCCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2Cc2ccco2)cc1OC,C40003990_decoy,GCR,Decoy,0,-5.15513,-2.65,-4.2,-2.766367687949652
C=CCOc1ccccc1[C@@H]1C(C(=O)c2cccc(OCc3ccccc3Cl)c2)=C([O-])C(=O)N1CC=C,C40030176_decoy,GCR,Decoy,0,-11.2564,-1.93,-2.83,-4.42292069536933
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C([O-])C(=O)N2CCCO)cc1OCC,C40052667_decoy,GCR,Decoy,0,-7.12896,-3.1,-3.4,-3.775690062719247
CSc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(C)cc4)cc3)=C([O-])C(=O)N2CCCO)cc1,C40055280_decoy,GCR,Decoy,0,-7.13643,-9.39,-2.47,-5.821863704893787
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2CCO)cc1OCC,C40082464_decoy,GCR,Decoy,0,-11.0549,-4.22,-2.5,-5.958165236906042
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2ccc(OCCC)c(OCC)c2)c(C)c1,C40083822_decoy,GCR,Decoy,0,-6.49978,-4.81,-3.69,-4.541582083039148
CCCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCOCCO)cc1,C40095102_decoy,GCR,Decoy,0,-6.44375,-4.07,-3.35,-3.904995177658559
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OCCC(C)C)c(OCC)c1,C40096854_decoy,GCR,Decoy,0,-7.21527,-5.39,-5.13,-4.599439429348745
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2ccc(Cl)c(Cl)c2)c1,C40101618_decoy,GCR,Decoy,0,-11.6569,-5.03,-2.57,-6.506839055174489
CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1OCc1cc(C)c(C)cc1C,C40927835_decoy,GCR,Decoy,0,-6.16264,-6.7,-3.21,-4.327003774364835
O=C(N[C@H](C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44326602_decoy,GCR,Decoy,0,-6.55466,-3.79,-3.68,-3.253606097727206
O=C([O-])CCCCCNC(=O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S,C15038534_decoy,GCR,Decoy,0,-11.5955,-8.88,-2.27,-8.73448057906812
COC(=O)c1c(/N=C/c2cc(Br)cc(Cl)c2O)sc2c1CC[NH+](C)C2,C09046267_decoy,GCR,Decoy,0,-11.5523,-2.62,-4.3,-4.61640733216183
Cc1cccc(C[NH2+][C@H]2CCc3c(sc4ncn([C@@H](C)c5csc(C)n5)c(=O)c34)C2)c1,C12156905_decoy,GCR,Decoy,0,-10.8223,2.79,-3.41,-2.721228389695015
Cc1cccc(C[NH2+][C@@H]2CCc3c(sc4ncn([C@@H](C)c5csc(C)n5)c(=O)c34)C2)c1,C12156913_decoy,GCR,Decoy,0,-12.3525,-3.71,-5.5,-5.1670179083005765
O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@@H]([NH2+]CCc1cccnc1)CC3,C12217518_decoy,GCR,Decoy,0,-11.0405,-3.86,-1.83,-4.57867825978615
O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1,C12360094_decoy,GCR,Decoy,0,-9.51278,41.93,-2.9,12.380183721350615
COc1cc2c(cc1O)CC[NH+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCC[C@@]5(CO5)[C@@H]4C[C@@H]31)[C@@H]2C,C12867692_decoy,GCR,Decoy,0,-7.23668,-4.54,-1.22,-3.610541080275152
O=C(C[NH+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCC([C@@H](O)c2cccnc2)CC1,C12152899_decoy,GCR,Decoy,0,-10.9292,-3.81,-0.97,-4.677368347611452
CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)CC1,C14939357_decoy,GCR,Decoy,0,-11.4199,-4.08,-5.76,-5.1256872191253215
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1,C20612127_decoy,GCR,Decoy,0,-10.7418,-4.59,-2.66,-4.937689981775391
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1,C20612129_decoy,GCR,Decoy,0,-9.57909,-5.51,-4.0,-4.88593911720892
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CC[NH+](C)CC3)ccc21,C22734794_decoy,GCR,Decoy,0,-10.9044,-4.85,-3.23,-5.291756644930489
O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)C1,C31053318_decoy,GCR,Decoy,0,-11.5525,-4.97,-1.26,-5.444196939387621
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1,C31054723_decoy,GCR,Decoy,0,-6.61011,-4.32,-3.43,-3.403991989807817
Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CN4CC[NH+](C)CC4)c3C#N)C(C)(C)C2)o1,C22804074_decoy,GCR,Decoy,0,-11.1033,-2.34,-2.17,-6.914686236928477
CC(C)CNC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1,C35958624_decoy,GCR,Decoy,0,-11.0312,10.2,-7.18,-0.3061399301807163
C[NH+]1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)CC1,C19691033_decoy,GCR,Decoy,0,-11.2374,-4.58,-2.04,-5.463359710851133
O=C(NC[C@@H]1CCCO1)C1=CC2=c3ccccc3=[NH+][C@H]2C(c2cccc(Br)c2)=N1,C38563823_decoy,GCR,Decoy,0,-6.79047,-3.24,-2.08,-2.9481690217251493
C[C@@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c3cccc[nH+]3)CC1)C2(C)C,C38733211_decoy,GCR,Decoy,0,-6.86311,-4.28,-1.51,-3.460089565108782
O=C(NCC[NH+]1CCN(c2nc3c(Cl)cccc3s2)CC1)c1ccc(Cl)s1,C38775053_decoy,GCR,Decoy,0,-11.6009,-8.06,-3.27,-8.345522949685355
O=C(NCC[NH+]1CCN(c2nc3c(F)cc(F)cc3s2)CC1)c1ccc(Cl)s1,C38779072_decoy,GCR,Decoy,0,-11.4247,-8.22,-3.38,-9.323644379393574
Cc1ccccc1N1C(C2=c3ccccc3=[NH+]C2)=NN[C@@H]1SCC(=O)N1CCCC[C@H]1C,C40018537_decoy,GCR,Decoy,0,-9.11352,-4.93,-3.2,-4.652294296095364
C[C@H]1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](CNC4CC[NH+](Cc5ccccc5)CC4)[C@H]3[C@H]3O[C@@]312,C43618863_decoy,GCR,Decoy,0,-9.98444,-4.74,-3.84,-4.619701908209112
C[C@@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1,C43746356_decoy,GCR,Decoy,0,-10.9085,-4.32,-1.86,-5.062362779895225
CC1(C)[C@H]2CC[C@@H](CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H]1C2,C38740760_decoy,GCR,Decoy,0,-7.46842,-4.01,-2.43,-4.013502085108957
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]2C[C@@H]1C2(C)C,C38740797_decoy,GCR,Decoy,0,-7.28975,-2.87,-2.83,-2.999811469228415
C[C@@H]1[C@@H](NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]2C[C@@H]1C2(C)C,C38740800_decoy,GCR,Decoy,0,-6.1593,-3.51,-3.15,-2.883798185922164
Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)C2)c1,C46910772_decoy,GCR,Decoy,0,-7.39279,-5.36,-5.11,-3.9921822130214673
O=C(NC1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1)c1ccc(F)cc1,C15024128_decoy,GCR,Decoy,0,-11.2481,-4.72,-3.53,-4.857934065546271
OC[C@@H]1CCC[NH+](Cc2ccc3c(c2)CN(Cc2cc4c(cc2Cl)OCO4)CCO3)C1,C55245437_decoy,GCR,Decoy,0,-11.872,-4.95,-1.35,-5.361493331489305
O=C(c1cc(Br)cc(Br)c1O)N1CCN(c2cccc[nH+]2)CC1,C14141511_decoy,GCR,Decoy,0,-9.39333,-4.51,-0.84,-3.9834111578197775
O=C(c1cccc(I)c1)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1,C58280749_decoy,GCR,Decoy,0,-8.87536,-4.63,-1.99,-6.507121819415627
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)C[NH+]3CCCCC3)c2C)c1,C20243782_decoy,GCR,Decoy,0,-10.6512,-6.07,-6.03,-6.123879173087993
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)C[NH+]3CCCCC3)c2C)c1,C20243785_decoy,GCR,Decoy,0,-10.7707,-6.09,-2.46,-6.579806253374178
C[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1,C60092784_decoy,GCR,Decoy,0,-10.8412,-9.81,-4.04,-9.7376858808973
CC1CC[NH+]([C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1,C60156358_decoy,GCR,Decoy,0,-10.7638,-3.98,-4.13,-4.957510602476057
CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1,C60207438_decoy,GCR,Decoy,0,-10.558,-4.75,-4.59,-7.089679762416052
O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(Br)c2c(c1)OCCO2,C60300805_decoy,GCR,Decoy,0,-12.2196,-6.12,-2.18,-11.164214083437413
C[C@@H]1C[C@H](C)C[NH+](C[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)C1,C60335679_decoy,GCR,Decoy,0,-10.7403,-4.1,-3.54,-5.235648081523694
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)C2)cc1,C60343996_decoy,GCR,Decoy,0,-9.85374,-3.88,-3.62,-4.46469763535201
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)C2)cc1,C60343998_decoy,GCR,Decoy,0,-6.83218,-4.28,-5.01,-3.585460763674982
Cc1ccc(N2C(=O)C[C@H](N3CC[NH+]=C3C3=C(O)/C(=C\c4ccc(Cl)cc4)CC3)C2=O)cc1,C21670328_decoy,GCR,Decoy,0,-9.19112,-4.58,-1.73,-4.456708985765749
C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1,C39773965_decoy,GCR,Decoy,0,-7.43961,-4.44,-2.88,-4.004871856789356
O=C(CCC1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1)N1CCN(c2ccc(O)cc2)CC1,C63205651_decoy,GCR,Decoy,0,-9.34273,-5.81,-1.8,-5.394612720674815
O=C(NCCc1ccccc1F)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N21,C63376054_decoy,GCR,Decoy,0,-9.57348,-6.64,-3.17,-5.41491999068463
Cc1nn(CC(=O)NCCC2=c3c(Cl)ccc(Cl)c3=[NH+][C@H]2C)c(=O)c2ccccc12,C63513828_decoy,GCR,Decoy,0,-6.2751,-7.85,-4.49,-4.690201535759894
CC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)N1CCC(c2nc3ccccc3s2)CC1,C63819086_decoy,GCR,Decoy,0,-9.71076,-3.95,-1.67,-4.835380807563928
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCC(C2=c3ccccc3=[NH+]C2)CC1,C64179111_decoy,GCR,Decoy,0,-9.68215,-4.42,-3.8,-5.044235518627008
CC1=c2cc(Cl)ccc2=[NH+][C@@H]1C(=O)NC[C@@H]1Cc2cc(-c3nc(C)cnc3C)ccc2O1,C64651051_decoy,GCR,Decoy,0,-11.0111,-4.9,-4.17,-5.039630864702902
COc1ccc2c(c1)=[NH+][C@@H](C(=O)NCc1ccc3c(c1)CCN3C(=O)c1ccc(C)cc1)C=2,C64978108_decoy,GCR,Decoy,0,-9.03081,-1.69,-4.44,-3.3424264228549774
O=C(NCc1ccc(S(=O)(=O)N2CCCCCC2)s1)[C@H]1C=c2cc(Cl)ccc2=[NH+]1,C65032163_decoy,GCR,Decoy,0,-8.73652,-3.88,-1.27,-4.2510712929269605
O=C(/C=C/c1cccc(Cl)c1)Nc1nc2ccc(Br)cc2s1,C00688778_decoy,GCR,Decoy,0,-9.96627,-3.69,-0.74,-4.187589180074825
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C04691477_decoy,GCR,Decoy,0,-11.0055,-9.47,0.24,-21.302825177661088
N#C/C(=C\c1ccccc1Br)C(=O)Nc1cccc(Cl)c1Cl,C01095540_decoy,GCR,Decoy,0,-9.38693,-4.07,-1.64,-4.011733123085906
Cc1cc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1Br,C04795790_decoy,GCR,Decoy,0,-9.07525,-3.47,-1.5,-4.314431773786389
N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1cccc(Cl)c1Cl,C05756668_decoy,GCR,Decoy,0,-8.05868,-3.53,-1.91,-3.559313929888296
O=C(Nc1ccc(Br)cc1Cl)c1ccc(Br)cc1,C06260068_decoy,GCR,Decoy,0,-8.87072,-3.51,-1.63,-4.041927847915094
Clc1cccc(NC2=NN=C(c3ccc4c(c3)-c3ccccc3C4)CS2)c1,C06530585_decoy,GCR,Decoy,0,-10.9793,19.5,-4.49,3.918222247453629
O=C(NC1CC1)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2,C06602420_decoy,GCR,Decoy,0,-9.82201,-6.52,-5.09,-7.795214045146157
N#C/C(=C\c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1Cl,C06889340_decoy,GCR,Decoy,0,-10.0365,-4.49,-3.51,-4.67368109343394
CC(C)c1ccc(/N=C/c2cc(Br)ccc2O)c(Br)c1,C01024775_decoy,GCR,Decoy,0,-9.90213,-2.3,-0.64,-3.792596469701158
Clc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1,C09204975_decoy,GCR,Decoy,0,-9.76333,-6.55,-0.59,-6.1727315196132055
O=C(Nc1ccc(I)cc1)[C@H](Sc1ccccc1)c1ccccc1,C02951523_decoy,GCR,Decoy,0,-10.1191,-8.15,-2.26,-9.527365861739794
CSc1ccc(/C=C2\C(=O)Nc3c(Br)cc(Br)cc32)cc1,C15016394_decoy,GCR,Decoy,0,-10.5605,-4.52,-0.72,-4.736605386477123
S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)s1,C01441319_decoy,GCR,Decoy,0,-10.2835,-6.61,-1.72,-7.852398287101583
O=C1/C(=C\c2cc(Br)cc(Br)c2O)Sc2ccccc21,C16524244_decoy,GCR,Decoy,0,-10.4324,-3.61,-0.77,-3.4833954452913254
Brc1ccc(Nc2nc(-c3ccccn3)cs2)c(Br)c1,C00841147_decoy,GCR,Decoy,0,-10.3246,-7.48,-1.49,-6.808746293697717
Clc1ccccc1[C@H]1Nc2ccc(OCc3ccccc3)cc2[C@H]2C=CC[C@H]21,C20700596_decoy,GCR,Decoy,0,-10.4954,-5.27,-1.24,-5.218405299648062
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2,C20711731_decoy,GCR,Decoy,0,-11.1043,-10.84,-1.93,-9.457883137912452
Cc1ccc(NC(=O)c2cc(Br)ccc2I)c(F)c1,C27396788_decoy,GCR,Decoy,0,-9.37653,-8.3,-3.52,-15.35747930469507
O=C(CCc1ccc(F)c(F)c1)Nc1cc(Br)ccc1Br,C31950225_decoy,GCR,Decoy,0,-8.96465,-7.98,-1.17,-7.938642706716592
O=C(Nc1cc(Br)ccc1Br)c1cc(F)ccc1Br,C31950454_decoy,GCR,Decoy,0,-9.13501,-8.51,-2.44,-7.785483052170808
O=C(Nc1cc(Br)ccc1Br)c1ccc(Cl)cc1,C31950889_decoy,GCR,Decoy,0,-8.71416,-3.07,-0.67,-3.489073267356438
O=C(/C=C/Nc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1,C32100241_decoy,GCR,Decoy,0,-10.5326,-5.2,-2.28,-4.970874784659711
O=C(Nc1ncc(Cl)cc1Cl)C1C[C@H]2CCC[C@@H](C1)C21SCCS1,C06234816_decoy,GCR,Decoy,0,-11.2864,-8.63,-0.86,-8.315408742128628
C[C@H](CCc1ccco1)Nc1c(Br)cc(Br)cc1Br,C35451960_decoy,GCR,Decoy,0,-10.0022,-7.73,-1.12,-8.827444984290258
O=C(Nc1ccc(Br)cc1Br)c1cc(Br)ccc1F,C36842066_decoy,GCR,Decoy,0,-9.86652,-8.56,-1.37,-8.698871415035287
FC(F)Oc1ccc(CNc2ccc(Br)cc2Br)cc1,C36956770_decoy,GCR,Decoy,0,-7.82698,-7.5,-0.87,-7.875827576872943
CCOc1c(Br)cc(Cl)cc1N[C@@H](C)c1ccc(Cl)s1,C36989263_decoy,GCR,Decoy,0,-10.2776,-6.97,-0.65,-8.440290286407874
C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(I)cc2Cl)o1,C37105259_decoy,GCR,Decoy,0,-9.22671,-2.2,-1.2,-3.724578641574073
C[C@H]1C[C@@H]1c1ccc(CNc2ccc(I)cc2Cl)o1,C37105260_decoy,GCR,Decoy,0,-9.83857,-2.79,-0.87,-3.770066802139034
Cc1cc(Br)c(N[C@H](C)c2scnc2C)c(Br)c1,C37248709_decoy,GCR,Decoy,0,-9.32248,-6.74,-0.99,-11.691051172403467
C[C@H](Nc1cc(Cl)cc2cccnc12)c1ccc(I)cc1,C37270826_decoy,GCR,Decoy,0,-9.48652,-5.95,-1.59,-9.757932522044678
C[C@H](Nc1cc(Br)ccc1Br)c1ccc(N(C)C)cc1,C37314729_decoy,GCR,Decoy,0,-9.43843,-8.37,-0.94,-8.404144231429628
O=C(Nc1ccc(Br)cc1)c1ccc(Br)cc1Cl,C37366936_decoy,GCR,Decoy,0,-9.39048,-2.58,-0.77,-3.636279364166988
Cc1cc(Br)c(NC(=O)C2C(C)(C)C2(C)C)c(Br)c1,C06188585_decoy,GCR,Decoy,0,-9.4835,-7.68,-1.02,-11.771489935655872
Oc1ccccc1[C@H]1CCC[C@@]2(CCC[C@H](Br)N2I)C1,C39526140_decoy,GCR,Decoy,0,-9.09058,-8.25,-1.91,-6.37766264846956
C#CCOc1ccc(Br)cc1CNc1cc(Br)ccc1F,C41641943_decoy,GCR,Decoy,0,-9.64276,-3.71,-2.87,-4.69812087933652
CC(C)CCC[C@H](C)[C@H]1CC(=O)C2=C3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C,C43743304_decoy,GCR,Decoy,0,-11.0918,-2.27,-2.34,-3.9716880537468047
O=C(Nc1ccc(I)cc1Cl)c1cc(F)c(Cl)cc1Cl,C48458448_decoy,GCR,Decoy,0,-9.96443,-7.99,-0.16,-8.018122379806595
O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1ccc(F)cc1,C01060001_decoy,GCR,Decoy,0,-9.21929,-2.37,-0.91,-3.164836809871354
COC[C@H](C)Nc1c(Br)cc(Br)cc1Br,C53172855_decoy,GCR,Decoy,0,-9.10379,-5.55,-1.44,-8.776723583072565
O=C1Nc2c(Br)cc(Br)cc2/C1=N/c1ccccc1Cl,C16449153_decoy,GCR,Decoy,0,-9.14888,-6.49,-0.91,-6.190442400644225
Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Cl)cc1,C01107506_decoy,GCR,Decoy,0,-9.03047,-7.37,-1.15,-6.48104699787774
Oc1c(Br)cc(Br)cc1/C=N/c1ccc2ccccc2c1,C01107562_decoy,GCR,Decoy,0,-9.94895,-2.72,-1.18,-3.222425985956218
Cc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2I)s1,C57291056_decoy,GCR,Decoy,0,-9.67051,-7.82,-0.96,-11.746087932256644
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cccc(I)c2)C1,C59514104_decoy,GCR,Decoy,0,-9.28507,-2.65,-0.98,-3.86938747650118
O=C(Nc1cc(Br)ccc1Cl)c1ccc(Br)s1,C61692776_decoy,GCR,Decoy,0,-10.5973,-6.69,-1.29,-9.849558241372424
O=C(Nc1cc(Br)ccc1Cl)c1ccc(Br)cc1,C61692923_decoy,GCR,Decoy,0,-9.41841,-0.71,-1.19,-4.0549389772715045
Cc1cc(C(=O)Nc2ccc(I)cc2Cl)ccc1F,C63060764_decoy,GCR,Decoy,0,-8.87762,-7.91,-0.85,-6.691128979890638
O=C(Nc1ccc(Br)cc1F)c1cc2cc(Br)ccc2o1,C64985039_decoy,GCR,Decoy,0,-9.60976,-5.61,-0.86,-5.302355607933122
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1,C04237226_decoy,GCR,Decoy,0,-6.67775,-3.57,-3.53,-3.120123619416383
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C09235254_decoy,GCR,Decoy,0,-10.072,-3.21,-0.64,-3.3912243213175226
Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[NH+](Cc1c[nH]nc1-c1ccccc1)C2,C11911803_decoy,GCR,Decoy,0,-11.3656,-3.95,,99.0
Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[NH+](Cc1ccc3nccnc3c1)C2,C12453651_decoy,GCR,Decoy,0,-9.81918,-4.14,-4.0,-4.2746509888696735
O=C(C[NH+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(Br)cc1Cl,C12788900_decoy,GCR,Decoy,0,-10.0868,-4.16,-3.1,-4.627645034999611
Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCc4ccccc4C3)c(=O)[nH]c2cc1C,C06321049_decoy,GCR,Decoy,0,-10.3365,-2.26,-3.01,-3.708017677607696
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3c1ccc(Cl)c3C)[NH+]1CCC[C@@H]21,C09361373_decoy,GCR,Decoy,0,-10.0101,-5.25,-0.75,-3.958949589009186
COc1ccc(-c2c(O)c3sc4ccccc4c3o/c2=[NH+]\C(=O)c2cccc([N+](=O)[O-])c2)cc1,C08836310_decoy,GCR,Decoy,0,-7.79238,-4.15,-4.54,-3.5401394220557827
O=C(/[NH+]=c1\sc2ccccc2c(O)c1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1,C09328039_decoy,GCR,Decoy,0,-7.45415,-2.07,-3.9,-2.664616520365427
CCOc1ccccc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2[C@@H]1CC,C21918987_decoy,GCR,Decoy,0,-8.55983,-5.56,-3.48,-4.804291397371316
O=C(NC(=O)N(C(=O)NC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(Cl)cc1)c1ccc(Cl)cc1,C02451684_decoy,GCR,Decoy,0,-9.75365,8.57,-4.08,-0.53255104420809
O=C1C[C@H](C(F)(F)F)N(C(=O)C[NH+]2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2N1,C30965799_decoy,GCR,Decoy,0,-9.57515,-3.9,-3.09,-4.142626146970254
COc1ccc(Cl)cc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2[C@@H]1C,C33265607_decoy,GCR,Decoy,0,-5.85852,-2.63,-4.22,-2.328715483327421
Cc1ccc(NC(=O)Nc2ccc(N3CCCN(C(=O)c4ccc(Cl)cc4)CC3)[nH+]c2)c(C)c1,C34681295_decoy,GCR,Decoy,0,-11.6897,-4.23,-4.79,-5.074934450822083
Cn1nc2nc(N3CC[NH+](C4CCCCC4)CC3)nc(-c3ccc(F)c(Cl)c3)c2c1N,C37361617_decoy,GCR,Decoy,0,-11.7808,-3.09,-2.27,-4.070594995892959
C[NH+]1CCN([C@H](c2ccc(Cl)cc2Cl)c2sc3nc(-c4ccco4)nn3c2O)CC1,C22795427_decoy,GCR,Decoy,0,-7.26128,-3.91,-2.94,-3.1053738507943818
NS(=O)(=O)c1ccc(-c2ccc([C@@H]3[NH+]=c4ccccc4=C4Nc5ccccc5N43)o2)cc1,C08622526_decoy,GCR,Decoy,0,-11.1422,-4.22,-4.96,-4.532080226753653
O=C1[NH+]=c2ccc(Br)cc2=C1NNc1nc2ccccc2c(=O)n1-c1ccccc1,C19893347_decoy,GCR,Decoy,0,-9.23389,-6.52,-0.86,-5.48262803643863
CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NNC3=c4cc(Br)ccc4=[NH+]C3=O)c2C1,C05353149_decoy,GCR,Decoy,0,-9.91876,-9.78,-1.97,-9.403379523306288
O=C1Nc2c(cc(Br)cc2[N+](=O)[O-])/C1=N\N=C1/CCCC2=c3ccccc3=[NH+][C@H]21,C39022009_decoy,GCR,Decoy,0,-9.04477,-4.66,-0.46,-4.263124062925043
CC1(C)C[C@@H]2C[C@@](C)(C[NH+]2CN2C(=O)/C(=N\NC(=O)c3ccc4ccccc4n3)c3ccccc32)C1,C38760501_decoy,GCR,Decoy,0,-6.59106,-4.7,-2.78,-3.258034225263936
Cc1ccccc1C[C@H]1Nc2ccc[nH+]c2N1C1CCN(C(=O)[C@H]2N=NC3=C2CCCC3)CC1,C39380993_decoy,GCR,Decoy,0,-7.39891,-5.28,-1.96,-4.189318523985514
NC1=[NH+][C@@H](c2ccccc2Cl)NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=N1,C39448849_decoy,GCR,Decoy,0,-11.5091,-11.27,-2.71,-15.453130842351202
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2,C39637485_decoy,GCR,Decoy,0,-8.33659,-2.2,-1.97,-3.431552232926286
O=C(NC1CCCCCCC1)[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC12CC[NH2+]CC2,C39659715_decoy,GCR,Decoy,0,-11.7572,1.93,-1.29,-4.15275698880344
O=C(NC1CCCCCCC1)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,C39659772_decoy,GCR,Decoy,0,-11.3985,-4.61,-2.16,-5.019877564329552
O=C(NC1CCCCCCC1)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CC12CC[NH2+]CC2,C39659826_decoy,GCR,Decoy,0,-10.8499,-7.01,-2.66,-5.939400432505992
Cc1cc(I)ccc1NC(=O)CSC1=N[C@@H]2[NH+]=c3ccccc3=C2N=N1,C39707509_decoy,GCR,Decoy,0,-9.23477,-8.07,-1.63,-10.19550954477659
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[NH+]21,C33706116_decoy,GCR,Decoy,0,-11.7307,-3.56,-1.68,-4.096451406460769
CC1(C)CC(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)[C@]4(C)C3=O)cc2)CC(C)(C)[NH2+]1,C43742760_decoy,GCR,Decoy,0,-7.47738,-4.41,-2.4,-3.4176556298038387
C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCc3c([nH]c4ccccc34)C2)CC1(C)C,C44940459_decoy,GCR,Decoy,0,-6.39762,-3.61,-3.52,-3.374518429598686
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(c3cccc[nH+]3)CC1)C2,C38740038_decoy,GCR,Decoy,0,-6.48062,-3.94,-0.82,-3.08996278670238
O=C1Nc2c(Br)cc(Br)cc2[C@]1(N1CCCCC1)[NH+]1CCCCC1,C44950455_decoy,GCR,Decoy,0,-10.1953,-3.31,-0.06,-3.805219367654571
Cc1nc(C2CC2)nc2sc(C(=O)/N=c3/[nH]c(C[NH+]4CCC(C)CC4)cs3)c(C)c12,C39555847_decoy,GCR,Decoy,0,-10.722,-2.81,-3.17,-4.004461311674476
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1)OCCCO4,C12548284_decoy,GCR,Decoy,0,-8.70249,-4.97,-2.78,-3.4288716974678235
C[C@H]1O[C@@H](c2cc3c(cc2Cl)OCO3)N[C@H]1C[NH+]1CCCC[C@@H]1c1nc2ccccc2[nH]1,C39490016_decoy,GCR,Decoy,0,-9.72794,-7.7,-1.97,-7.356023766913031
Cc1ccc2nc(-c3ccc(/[NH+]=c4/oc5c(C)ncc(CO)c5cc4C(N)=O)cc3)sc2c1,C02952870_decoy,GCR,Decoy,0,-10.3399,-2.65,-4.82,-3.700165006972992
O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1,C60348103_decoy,GCR,Decoy,0,-10.6931,-3.23,-3.57,-4.279409092036549
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1Nc1ccc(Cl)c(Cl)c1)c1cccc2nsnc12,C39977012_decoy,GCR,Decoy,0,-7.34213,-3.7,-2.76,-3.3883342091201
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1Nc1ccc(O)cc1)c1cc(Cl)ccc1Cl,C39984405_decoy,GCR,Decoy,0,-11.006,-6.39,-1.19,-7.874369541747156
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H]2c3ccccc3C(=O)N21,C63375847_decoy,GCR,Decoy,0,-5.719,-5.03,-1.19,-3.194110506448418
CCCN1C(=O)[C@]2(NCCC3=c4cc(OC)ccc4=[NH+][C@H]32)c2cc(Br)ccc21,C63385142_decoy,GCR,Decoy,0,-10.632,-2.41,-0.09,-4.110133108452
Cc1cc2nc([N-]C3=N[C@@H](O)C/C(=C/SC4[NH+]=c5ccccc5=[NH+]4)N3)nc(C)c2cc1C,C63611396_decoy,GCR,Decoy,0,-11.3712,-10.89,-2.7,-8.716987731185798
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc([C@H]4C=c5cc(Cl)ccc5=[NH+]4)cc3)cc2C[C@H]1C,C63627319_decoy,GCR,Decoy,0,-10.3562,-4.01,-4.07,-4.6589876596407125
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@H]2Nc2ccc3c(c2)OCCO3)cc1C,C38966499_decoy,GCR,Decoy,0,-9.66718,-3.67,-4.4,-4.132149979499164
O=C(Nc1ccccc1Cl)Nc1cccc2c1=[NH+][C@@H](C(=O)N1CCOCC1)C=2c1ccccc1,C63746448_decoy,GCR,Decoy,0,-6.39629,-4.38,-4.38,-3.5573634666497984
Cc1cccc(N2CCN(C(=O)[C@H]3[NH+]=c4ccccc4=C3NC(=O)c3ccc(Cl)cc3)CC2)c1,C63752690_decoy,GCR,Decoy,0,-6.64759,-5.69,-1.58,-3.872707134390182
Cc1cccc(N2CCN(C(=O)[C@@H]3[NH+]=c4ccccc4=C3NC(=O)c3ccc(Cl)cc3)CC2)c1,C63752693_decoy,GCR,Decoy,0,-7.23904,-1.87,-2.14,-2.945573883913234
Cc1ccc(C)c(N[C@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cccc3nsnc23)c1,C38980778_decoy,GCR,Decoy,0,-6.48723,-4.39,-4.13,-3.348299795613414
C[C@H]1c2c([nH]n(-c3nc4ccccc4s3)c2=O)CC(=O)N1CCC1=c2cc(Cl)ccc2=[NH+]C1,C64031845_decoy,GCR,Decoy,0,-12.2852,-8.12,-1.66,-6.444962186273349
O=C1Nc2ccc(Cl)c3c2[C@@]1(CCCC[NH+]1CC=C(c2ccc(F)cc2)CC1)CCC3,C03992517_decoy,GCR,Decoy,0,-10.1746,-5.63,-3.99,-5.068055983198486
O[C@H](c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12)[C@H]1CCCC[NH2+]1,C01567997_decoy,GCR,Decoy,0,-9.92325,-3.79,-2.48,-3.9452146752085855
CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[NH+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1,C08767558_decoy,GCR,Decoy,0,-7.16231,-2.43,-2.72,-3.2297612782913245
CC[C@H]1CCCC[NH+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2,C09407756_decoy,GCR,Decoy,0,-11.5234,-5.76,-4.47,-7.4150705786918865
CCCC[NH+](C)Cc1c(O)cc(C)c2c1O/C(=C\c1cc3cc(Br)ccc3o1)C2=O,C09531929_decoy,GCR,Decoy,0,-10.5685,-3.49,-3.25,-4.568425609735742
O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[NH+]1CC1CCCCC1)N1CCN(c2ccccc2F)CC1,C11783882_decoy,GCR,Decoy,0,-11.5393,-3.78,-3.76,-5.063300253118148
c1ccc(C[NH+]2CCC(Nc3nc(-c4cccnc4)nc4scc(-c5ccccc5)c34)CC2)cc1,C13131570_decoy,GCR,Decoy,0,-8.44363,-3.83,-3.66,-3.9273013552403793
CC(C)Cc1ccc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[NH+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1,C16038961_decoy,GCR,Decoy,0,-6.59522,-5.86,-1.82,-3.821483598744829
O=C(N[C@@H](OC[C@H]1CCC[NH+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc12,C16041280_decoy,GCR,Decoy,0,-10.8585,-4.55,-2.6,-5.213033961028173
O=C(CSc1nc2ccccc2c(=O)n1Nc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1,C02973620_decoy,GCR,Decoy,0,-10.5795,-5.11,-4.14,-5.49561373024222
CCCOc1c(Br)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Br,C20926680_decoy,GCR,Decoy,0,-11.8443,-8.22,-4.86,-12.767460628285582
CCCOc1c(Br)cc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3,C20929588_decoy,GCR,Decoy,0,-10.955,-7.58,-1.97,-10.584968132544164
COc1ccc([C@@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCCC2)cc1,C27662247_decoy,GCR,Decoy,0,-9.74508,-3.46,-3.06,-4.366464701379691
Cc1ccc(N2C(SCC(=O)[O-])=[NH+]C(=[NH+]c3ccc(Cl)cc3)C23CCCC3)cc1,C27829502_decoy,GCR,Decoy,0,-8.12104,-3.44,-2.45,-3.893089141590287
CC(C)(C)c1ccc(-c2c/c(=[NH+]\Nc3nc4ccccc4s3)c3cc(Cl)ccc3o2)cc1,C28323790_decoy,GCR,Decoy,0,-11.6486,-2.84,-2.06,-4.101870461272431
Cc1ccc(-c2c/c(=[NH+]\Nc3nc4ccccc4s3)c3cc(Cl)cc(Cl)c3o2)cc1,C28323811_decoy,GCR,Decoy,0,-11.1846,-2.95,-4.12,-4.116930450021123
CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCC(O)CC3)c2)cc1C(F)(F)F,C28357159_decoy,GCR,Decoy,0,-11.5771,-9.96,-3.14,-12.854227103168888
C[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)CC1,C30828883_decoy,GCR,Decoy,0,-11.3351,24.35,-5.36,5.064316374948869
O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCC[NH+](Cc2cccc3ccccc23)C1,C30938004_decoy,GCR,Decoy,0,-10.6163,-5.98,-3.88,-5.798529864144614
CCOC(=O)c1c(C[NH+]2CCCCC2)n(C2CCCCC2)c2cc(Br)c(O)cc12,C02256717_decoy,GCR,Decoy,0,-8.34062,-3.29,-2.35,-3.5869372810051114
O=C1c2ccccc2C(=O)N1c1cccc(-c2cs/c(=[NH+]/c3cccc4ccccc34)n2CCCO)c1,C17130659_decoy,GCR,Decoy,0,-12.1134,-6.74,-4.91,-5.94289847602604
CCC[NH2+]Cc1ccc(Br)cc1Oc1ccc(I)cc1,C34665011_decoy,GCR,Decoy,0,-9.90079,-6.84,-1.15,-10.364372258611498
COc1c(Br)cc(Br)cc1C[NH2+][C@H](c1cccs1)C(C)C,C35017295_decoy,GCR,Decoy,0,-10.614,-6.96,-1.79,-11.637928128128854
Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)/C=C/c3ccccc3OC(C)C)cc12,C03649579_decoy,GCR,Decoy,0,-10.9259,-6.89,-1.74,-8.459951937090576
CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)NC1=[NH+]C(=S)N(c2ccccc2)C12CCCCC2,C03146783_decoy,GCR,Decoy,0,-7.70624,-3.0,-1.77,-3.268880607098214
CCc1cc([C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1,C38545925_decoy,GCR,Decoy,0,-9.93862,-3.02,-2.82,-4.413230794919802
O=C(NCCc1ccc(Cl)c(Cl)c1)C1=CC2=c3ccccc3=[NH+][C@@H]2C(c2ccc3c(c2)OCO3)=N1,C38570542_decoy,GCR,Decoy,0,-6.90551,-3.22,-3.0,-3.024899220164124
COc1ccc2c(c1)=C1CCN=C(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[C@@H]1[NH+]=2,C38573934_decoy,GCR,Decoy,0,-10.6033,-4.39,-2.6,-4.987619660497503
CN1CCCc2cc([C@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[NH+]3CCCCC3)ccc21,C38671021_decoy,GCR,Decoy,0,-7.16602,-4.51,-3.15,-3.881213699701952
Cc1c(C)c(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(C)c1C,C38671185_decoy,GCR,Decoy,0,-6.86624,-4.25,-3.38,-3.848481874331763
O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)C1(c2ccc(Cl)cc2)CCCC1,C38673660_decoy,GCR,Decoy,0,-12.2624,-4.48,-4.62,-5.882357805107667
Cc1ccc(C)c2sc(N3CC[NH+](CCNC(=O)c4cc(-c5cccs5)nc5ccccc45)CC3)nc12,C38776668_decoy,GCR,Decoy,0,-11.9075,-3.25,-2.37,-4.717623783421261
CCCCOc1ccc([C@H]2[NH+]=N/C(=N/C(=O)Nc3ccc(Cl)cc3Cl)S2)cc1,C38926123_decoy,GCR,Decoy,0,-10.571,-6.19,-3.4,-7.299293230337534
CC1(C)CC(=O)c2c(Nc3ccc(Cl)c(Cl)c3)nn([C@H]3[NH+]=c4ccccc4=P3)c2C1,C44759900_decoy,GCR,Decoy,0,-10.689,-4.73,-3.65,-4.821502855981559
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)c23)cc1,C62040245_decoy,GCR,Decoy,0,-10.318,-2.71,-3.58,-4.325358280333894
Cc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4)[NH+]4CCCC4)c23)c(C)c1,C62048842_decoy,GCR,Decoy,0,-7.17905,-4.28,-3.48,-3.787009722208886
CC1=C(C(=O)NC[C@@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)C[C@H](C)N1c1ccc(F)cc1,C63234503_decoy,GCR,Decoy,0,-7.78423,-4.22,-1.29,-3.9066150587218536
C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O)C12CC3CC(CC(C3)C1)C2,C27550182_decoy,GCR,Decoy,0,-8.18873,-2.5,-1.41,-2.844549860381244
CCOc1ccc(NC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(C)cc2)cc1,C63571499_decoy,GCR,Decoy,0,-7.86925,-2.96,-3.53,-3.592865399554079
CCOC(=O)C1CCC(CNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(F)cc2)CC1,C63571860_decoy,GCR,Decoy,0,-9.69476,-5.56,-4.56,-6.315897429888266
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1,C63571930_decoy,GCR,Decoy,0,-6.86678,-4.6,-4.91,-3.734572474014545
CCc1ccccc1NC(=O)N1CCC2=c3cc(OC)ccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63573217_decoy,GCR,Decoy,0,-9.46308,-4.18,-2.31,-4.537908986559252
C[C@@H]1C[C@H](/C=C(\C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)[C@H](C)N1c1cccc(Cl)c1,C63614443_decoy,GCR,Decoy,0,-8.94021,-7.83,-2.87,-4.239026208378918
FC(F)(F)c1cccc(-c2nnn3c2nc(NCCC2=c4ccccc4=[NH+]C2)c2ccccc23)c1,C63669166_decoy,GCR,Decoy,0,-9.036,-4.66,-3.72,-4.558401647260664
CCc1ccc(N[C@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(C)ccc2C)cc1,C38975104_decoy,GCR,Decoy,0,-7.22598,-5.62,-1.42,-4.218202366554496
CCc1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(C)ccc2C)cc1,C38975106_decoy,GCR,Decoy,0,-10.2137,-3.02,-2.91,-4.220195825067722
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1NC1CCCCC1)c1cc(Cl)ccc1Cl,C38981478_decoy,GCR,Decoy,0,-9.31071,-3.08,-4.82,-3.83706615933492
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2ccccc2Br)cc1C,C38980283_decoy,GCR,Decoy,0,-10.1832,-5.65,-2.42,-5.218534615292674
COc1ccc(C)cc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2[C@@H]1c1ccc(F)cc1,C35427266_decoy,GCR,Decoy,0,-5.91198,-3.56,-2.87,-2.676741808460964
Cc1ccc(/[NH+]=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)c(C)c1,C67294682_decoy,GCR,Decoy,0,-7.24122,-6.49,-3.26,-3.8924193237698304
CC(C)c1ccc(/C=N/NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1,C01086975_decoy,GCR,Decoy,0,-9.94467,-5.9,-1.99,-6.38853751861118
O=c1c(Oc2ccccc2Cl)c(C(F)(F)F)oc2c(C[NH+]3CCCCC3)c(O)ccc12,C00956051_decoy,GCR,Decoy,0,-10.5202,-3.81,-3.53,-4.366011453637758
O=C(N[C@H](OC[C@@H]1CCC[NH+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc12,C08739636_decoy,GCR,Decoy,0,-7.21698,-9.57,-2.78,-5.9114317291879415
O=C(N[C@@H](OC[C@H]1CCC[NH+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc2ccccc12,C02129685_decoy,GCR,Decoy,0,-8.59312,-4.73,-2.11,-4.78543958304943
O=c1c(Oc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)oc2c(C[NH+]3CCCCCC3)c(O)ccc12,C01959501_decoy,GCR,Decoy,0,-10.8396,-2.94,-3.23,-4.371810823193509
Brc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C2CCCCC2)cc1,C09009004_decoy,GCR,Decoy,0,-10.8376,-4.04,-3.02,-4.900172014162268
CCOC(=O)c1oc2c(C[NH+]3CCC[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1,C09075522_decoy,GCR,Decoy,0,-11.2874,-3.36,-1.78,-4.95666105227552
CCC[NH+]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1,C09504580_decoy,GCR,Decoy,0,-11.3897,-3.16,-2.48,-4.716559130954361
CC1CC[NH+]([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c2cccs2)CC1,C13030146_decoy,GCR,Decoy,0,-7.56818,-8.5,-5.52,-5.283295123295599
CC1CC[NH+]([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)c2cccs2)CC1,C13030149_decoy,GCR,Decoy,0,-12.0423,-3.73,-3.94,-5.319511791448341
CCOc1ccc([C@H]2CCC[NH+]2CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1,C15548179_decoy,GCR,Decoy,0,-10.1165,-9.0,-1.95,-9.185876586794064
N#Cc1ccc(/[NH+]=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)cc1,C20523323_decoy,GCR,Decoy,0,-6.18779,-2.85,-3.55,-2.5335203465714
Oc1ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)/c(=[NH+]/c3ccccc3)oc2c1,C20642360_decoy,GCR,Decoy,0,-8.55557,-4.43,-5.01,-3.944927737779359
CCCOc1c(Br)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Br,C20926685_decoy,GCR,Decoy,0,-12.7747,-8.9,-1.35,-19.04551872976159
CCCOc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1Br,C20926919_decoy,GCR,Decoy,0,-10.7165,-7.87,-1.21,-15.372760521884784
CC1CCN(C(=O)C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[NH+]2CCC(C)CC2)CC1,C28285495_decoy,GCR,Decoy,0,-10.0627,-3.93,-3.14,-4.774917624602228
CC(C)(C)c1ccc(-c2c/c(=[NH+]\Nc3nc4ccccc4s3)c3cc(Cl)cc(Cl)c3o2)cc1,C28323817_decoy,GCR,Decoy,0,-8.57437,-5.43,-3.69,-4.348837878488779
C[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)CC1,C30830479_decoy,GCR,Decoy,0,-8.12375,-3.06,-6.11,-2.897417707090954
O=C(Nc1ccccc1-c1ccccc1)C1CC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)CC1,C30979593_decoy,GCR,Decoy,0,-7.56491,-3.9,-0.79,-3.6441664097074304
Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[NH+](Cc3nc(-c4ccc(Cl)cc4Cl)no3)C2)c1,C31055308_decoy,GCR,Decoy,0,-7.01605,-3.57,-2.65,-3.390156417446556
O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1,C31055573_decoy,GCR,Decoy,0,-10.57,-5.43,-3.94,-5.252704981774187
CCc1[nH+]c(C)nc(N2CCCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1Cc1ccc(C)cc1,C33690819_decoy,GCR,Decoy,0,-6.65863,-3.8,-4.59,-3.656153435032385
CCC[NH2+][C@@H](c1ccc(Br)s1)c1cc(Cl)cc(Br)c1OC,C35572946_decoy,GCR,Decoy,0,-10.2205,-6.84,-1.24,-9.454550405032837
O=C(C[NH+]1CCn2cccc2[C@@H]1c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1Cl,C35845811_decoy,GCR,Decoy,0,-10.8944,-3.95,-2.33,-5.033160191175496
O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)C[C@H]12,C35907994_decoy,GCR,Decoy,0,-7.23658,-5.84,-5.58,-4.512401385556667
COc1c(Br)cc(C[NH2+][C@H](c2cccs2)C(C)C)cc1Br,C37302486_decoy,GCR,Decoy,0,-10.4046,-7.34,-1.02,-13.476070417050066
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1C,C38671165_decoy,GCR,Decoy,0,-7.34869,-5.2,-3.83,-3.7683428671716728
CCCCOc1ccc([C@@H]2[NH+]=N/C(=N/C(=O)Nc3ccc(Cl)cc3Cl)S2)cc1,C38926122_decoy,GCR,Decoy,0,-11.1036,21.2,-4.33,4.836783783932926
Cc1ccc(SCc2cc(=O)[nH]c(S[C@@H]3C(=O)[NH+]=c4ccccc4=C3c3ccccc3)n2)cc1,C39396241_decoy,GCR,Decoy,0,-5.19054,-2.62,-1.29,-2.336343586371199
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCC[NH+](Cc4ccc(Cl)c(Cl)c4)C3)cc2)C1,C44854925_decoy,GCR,Decoy,0,-11.8091,-3.37,-4.61,-4.914416107196902
Cc1ccccc1[C@@H](NC(=O)[C@H]1CCC[NH+](Cc2ccc(Br)cc2)C1)c1ccccc1,C44937561_decoy,GCR,Decoy,0,-10.7302,-2.98,-3.84,-4.384691666266727
C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O)C12CC3CC(CC(C3)C1)C2,C27550179_decoy,GCR,Decoy,0,-8.50595,-4.08,-1.46,-3.9592032009888825
CC1=Nc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)ccc2Sc2ccc(Cl)cc21,C20726960_decoy,GCR,Decoy,0,-11.5537,-3.8,-2.64,-4.969981644369722
CCOc1cc(-c2[nH+]c3cc(C)ccn3c2/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1O,C59597104_decoy,GCR,Decoy,0,-6.68122,-6.68,-3.76,-3.918669877721393
Clc1cc(Cl)c2o/c(=[NH+]\c3ccc(-c4ccccc4)cc3)c(-c3nc4ccccc4[nH]3)cc2c1,C12491988_decoy,GCR,Decoy,0,-6.88987,-4.33,-2.46,-3.0216210923344846
COc1ccc(-c2cc(O)c3cc/c(=[NH+]/C(=O)c4ccc(Br)cc4)cc-3o2)cc1,C41286920_decoy,GCR,Decoy,0,-10.2764,-5.21,-0.67,-4.630736401281242
CC(C)(C)c1ccc(-c2cc(O)c3cc/c(=[NH+]\C(=O)CCc4cc(Cl)no4)cc-3o2)cc1,C41358982_decoy,GCR,Decoy,0,-7.89885,0.5,-4.0,-2.2350004315497545
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1)C12CC3CC(CC(C3)C1)C2,C39945422_decoy,GCR,Decoy,0,-8.14913,-5.68,-5.34,-4.722974675017716
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2cc(Cl)ccc2C)cc1,C63571945_decoy,GCR,Decoy,0,-5.5788,-3.57,-3.37,-2.609687794108286
COc1ccc([C@@H]2[C@H]3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2ccc(C)cc2C)cc1,C63572200_decoy,GCR,Decoy,0,-4.2782,-2.3,-1.78,-1.9470895718563648
Cc1c(Cl)cccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63572514_decoy,GCR,Decoy,0,-7.25993,-3.6,-3.16,-3.064238285124419
CC[C@H](C)c1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2ccc(C)cc2)cc1,C38970914_decoy,GCR,Decoy,0,-6.1213,-3.75,-4.41,-3.139944147907663
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@H]2Nc2ccc(Br)c(C)c2)cc1C,C38975712_decoy,GCR,Decoy,0,-6.90627,-3.72,-4.89,-2.9259675620553787
CC[NH+]1CCN(c2cc(C)c3cc(/N=C(O)/C=C/c4cccc(Cl)c4)ccc3n2)CC1,C20108631_decoy,GCR,Decoy,0,-11.618,-3.75,-1.14,-4.904734602063245
Cc1cccc(NC(=O)N2Cc3c(sc4c3CC[NH+](C)C4)-n3cccc3[C@H]2c2ccccc2)c1C,C35427078_decoy,GCR,Decoy,0,-5.50081,-4.4,-4.41,-3.0826507342556035
Cc1ccc(Cl)cc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2[C@@H]1c1ccc(F)cc1,C35427254_decoy,GCR,Decoy,0,-6.05191,-3.73,-5.41,-2.546862592448727
Cc1cccc(NC(=O)N2Cc3c(sc4c3CC[NH+](C)C4)-n3cccc3[C@H]2c2cccc(Cl)c2)c1C,C35427350_decoy,GCR,Decoy,0,-5.13744,-3.32,-3.97,-2.6927737860371246
CC[NH+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)c2cccn2-3)C1,C35427437_decoy,GCR,Decoy,0,-4.85987,-1.49,-3.54,-1.9238961598326905
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@@H]1C1=NN[C@H](/C=C/c2ccccc2)C1,C65321185_decoy,GCR,Decoy,0,-10.9235,-2.59,-0.77,-4.263001545360357
Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=[NH+]\c2cc(C)cc(C)c2)nc1,C67294738_decoy,GCR,Decoy,0,-6.36438,-6.38,-4.82,-3.9548404994146495
Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCCCCC1,C01894950_decoy,GCR,Decoy,0,-9.31403,-3.09,-3.42,-4.059503706719293
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O,C02114769_decoy,GCR,Decoy,0,-7.43261,-5.25,-4.12,-4.253283581534898
Brc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccccc1,C10436593_decoy,GCR,Decoy,0,-12.1928,-3.16,-5.04,-5.072036017131506
Cc1cc(Br)c(NC(=O)C[NH+](C)[C@H](C)c2nc3ccccc3s2)c(Br)c1,C12986188_decoy,GCR,Decoy,0,-10.8766,-7.49,-2.05,-13.87617932019101
CCOc1ccc([C@@H]2CCC[NH+]2CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1,C15548178_decoy,GCR,Decoy,0,-11.2535,-8.1,-1.0,-10.219263219157083
O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1,C15859974_decoy,GCR,Decoy,0,-11.1921,-7.17,-4.21,-7.491639109754467
O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1,C15859975_decoy,GCR,Decoy,0,-12.1778,-6.1,-3.57,-6.558052624685752
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]C5CCCCCCC5)C4=O)cc3)sc2c1,C19890021_decoy,GCR,Decoy,0,-10.375,-4.57,-5.1,-5.488818878872575
O=C(/[NH+]=c1\sc2ccccc2c(O)c1-c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1,C09088443_decoy,GCR,Decoy,0,-5.55143,-4.48,-4.61,-3.142675892540314
C[C@@H]1[C@H](C)CCC[C@@H]1N1C(=O)c2ccccc2[C@@H]1[NH2+]C1CCCCCCCCCCC1,C20058132_decoy,GCR,Decoy,0,-5.57645,-4.72,-1.73,-2.9958173850394387
CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1,C20116140_decoy,GCR,Decoy,0,-7.22867,-2.84,-4.53,-3.5691475790608247
COc1ccc(C2=[NH+]N=C(c3ccc(N4CCOCC4)cc3)c3cc(C(C)C)ccc3N2)cc1,C06077051_decoy,GCR,Decoy,0,-9.15334,-3.75,-2.75,-4.112414207671704
CCc1oc2c(C[NH+]3CCC(C)CC3)c(O)ccc2c(=O)c1-c1nc2ccccc2s1,C28121120_decoy,GCR,Decoy,0,-11.0583,-3.82,-4.07,-4.386196010983242
Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)oc2c1,C28289197_decoy,GCR,Decoy,0,-8.13099,-4.21,-3.17,-4.163568794191165
COc1ccc(-c2c/c(=[NH+]\Nc3nc4ccccc4s3)c3cc(Cl)cc(Cl)c3o2)cc1,C28323822_decoy,GCR,Decoy,0,-8.11152,-3.06,-4.55,-3.4488689793961225
O=C(Nc1ccccc1Sc1ccccc1)C1CC[NH+](Cc2cccc3ccccc23)CC1,C30937956_decoy,GCR,Decoy,0,-7.86794,-5.45,-3.87,-4.74823994934853
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1,C30985549_decoy,GCR,Decoy,0,-8.25956,-3.18,-3.98,-3.6324767570872414
Clc1cccc(Nc2cc3nc4ccccc4oc-3c/c2=[NH+]\c2cccc(Cl)c2)c1,C17058658_decoy,GCR,Decoy,0,-8.16415,-4.32,-4.63,-3.3886916239826745
COc1ccc(-c2c/c(=[NH+]/c3sc4c(c3C#N)CCCC4)c3cc(O)ccc3o2)cc1,C12129863_decoy,GCR,Decoy,0,-7.42561,-4.44,-2.35,-3.22649549179212
Cc1ccn2c(NC3CCCCC3)c(-c3cccc(OC(=O)C45CC6CC(CC(C6)C4)C5)c3)[nH+]c2c1,C33746916_decoy,GCR,Decoy,0,-6.62828,-5.95,-2.58,-3.8598697014902505
CCSc1nc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)c2c3c(sc2n1)CCCC3,C34755944_decoy,GCR,Decoy,0,-9.91426,-2.91,-2.63,-4.261126426862037
CC1(C)[C@H]2CC=C(CN(CC[NH+]3CCCCC3)C(=O)Nc3ccc(Br)cc3)[C@@H]1C2,C34935799_decoy,GCR,Decoy,0,-11.0412,-4.15,-3.07,-5.442182191292849
CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccc(Cl)s2)cc1Br,C35253592_decoy,GCR,Decoy,0,-11.9065,-7.68,,99.0
CCC[NH2+][C@H](c1ccc(Br)s1)c1cc(Cl)cc(Br)c1OC,C35572947_decoy,GCR,Decoy,0,-11.1169,-7.0,-1.25,-9.61873361833233
Cc1ccn2c(NC3CCCCC3)c(-c3ccc(OC(=O)c4cccc(Br)c4)cc3)[nH+]c2c1,C35703035_decoy,GCR,Decoy,0,-8.79038,-4.43,-3.25,-4.038384659871602
CCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(C)cc3)[nH+]c(C)c2C(C)C)CC1,C35890849_decoy,GCR,Decoy,0,-7.76644,-1.11,-2.14,-3.0774664107084733
C[C@@H]1[C@@H](C)CCC[C@@H]1N1C(=O)c2ccccc2[C@H]1[NH2+]C1CCCCCCCCCCC1,C36162573_decoy,GCR,Decoy,0,-5.22315,-3.52,-3.37,-2.201624292567536
C[NH+](C)CCOc1ccc(N[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1,C02049815_decoy,GCR,Decoy,0,-10.0388,-5.9,-2.47,-6.639869439698782
CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1,C38546133_decoy,GCR,Decoy,0,-7.45052,-2.17,-4.29,-3.153889313261447
CN1CCCc2cc([C@@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[NH+]3CCCCC3)ccc21,C38671019_decoy,GCR,Decoy,0,-7.29947,-3.15,-3.37,-3.120815782402147
COc1ccc(C2=C(C)N=[NH+][C@@H]2c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1,C38766285_decoy,GCR,Decoy,0,-11.2688,-2.95,-2.91,-4.477292044614017
O=C(/N=C1/N=[NH+][C@@H](c2ccccc2SCc2ccccc2)S1)Nc1ccc(Cl)cc1Cl,C39040558_decoy,GCR,Decoy,0,-11.9122,-3.43,-1.42,-5.080283568771081
Cc1ccc(SCc2cc(=O)[nH]c(S[C@@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)n2)cc1,C39237548_decoy,GCR,Decoy,0,-10.5039,-5.19,-3.39,-5.613489968839024
CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)S/C(=C\C2=c3ccccc3=[NH+]C2)C1=O,C39352987_decoy,GCR,Decoy,0,-10.1559,-4.24,-4.12,-4.874044609115756
COc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)CC3,C39881666_decoy,GCR,Decoy,0,-13.6224,-2.72,-6.75,-4.973928548031818
CC(C)Oc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)c1ccccc1,C40729945_decoy,GCR,Decoy,0,-9.88012,-7.58,-3.29,-10.062852666764991
CC1(C)CC(=O)c2c(Nc3ccc(Cl)c(Cl)c3)nn([C@@H]3[NH+]=c4ccccc4=P3)c2C1,C44759897_decoy,GCR,Decoy,0,-7.1472,-2.5,-2.69,-2.5702311686458805
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCC[NH+](Cc4ccc(Br)cc4)C3)cc2)C1,C44854930_decoy,GCR,Decoy,0,-9.02814,-5.11,-2.5,-4.813131066705021
CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=S)Nc2cccc[nH+]2)C(C)(C)c2ccccc21,C18100941_decoy,GCR,Decoy,0,-10.1635,-4.05,-2.07,-4.321309464889514
Oc1c(/C=[NH+]/Cc2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1nc2ccccc2s1,C08694283_decoy,GCR,Decoy,0,-10.3231,-7.76,-4.52,-7.995944644761486
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1Nc1ccccc1Cl)c1ccc(Br)cc1,C39977440_decoy,GCR,Decoy,0,-10.459,-3.43,-2.99,-4.203718794837846
CCOC(=O)CC1(NC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccccc2F)CCCCC1,C63571381_decoy,GCR,Decoy,0,-10.3714,-3.49,-3.71,-4.580903569953595
COc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1,C63571928_decoy,GCR,Decoy,0,-6.25096,-3.48,-2.76,-3.21816994950472
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2ccc(C)c(F)c2)cc1,C63572216_decoy,GCR,Decoy,0,-7.05176,-4.77,-2.0,-3.3200236783001698
COc1ccc2c(c1)=C1CCN(C(=O)Nc3ccccc3Cl)[C@@H](c3ccc(C)cc3)[C@H]1[NH+]=2,C63573287_decoy,GCR,Decoy,0,-9.14449,-3.97,-1.49,-4.169365539239985
O=C(NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(Br)cc1)C1CCCC1,C63755532_decoy,GCR,Decoy,0,-10.882,-4.11,-1.66,-5.156534353239805
Cc1ccc(Cl)cc1N[C@H]1[NH+]=c2ccccc2=N/C1=N\S(=O)(=O)c1ccc(Cl)cc1,C38981377_decoy,GCR,Decoy,0,-8.92127,-4.23,-3.54,-4.249141278361541
C[NH+]1CCc2c(sc3c2CN(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)c2cccn2-3)C1,C35427069_decoy,GCR,Decoy,0,-5.87538,-2.54,-4.81,-2.378078170938272
CCC[NH+]1CCN(c2nn3c(NC4CCCCCC4)c(-c4ccccc4)nc3s2)CC1,C64746085_decoy,GCR,Decoy,0,-11.5638,-4.53,-3.6,-5.279504145851672
Cc1ccc(/[NH+]=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c(F)c1,C67295131_decoy,GCR,Decoy,0,-6.6411,-4.2,-2.42,-2.9282599289517406
C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)C(C)(C)[NH2+]C(C)(C)C4)c1ccc(Br)cc1,C08387445_decoy,GCR,Decoy,0,-8.60292,-4.53,-3.91,-3.4377759526673355
Cc1ccc(C)c2nc(O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCc4ccccc4C3)cc12,C08671191_decoy,GCR,Decoy,0,-9.3214,-4.86,-2.64,-4.6570142808608
Cc1ccc(C)c2nc(O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCc4ccccc4C3)cc12,C08671192_decoy,GCR,Decoy,0,-7.55343,-3.82,-3.49,-3.7381102333631375
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSC[NH+]3[C@]23C(=O)Nc2ccccc23)cc1,C09331349_decoy,GCR,Decoy,0,-5.47343,-3.22,-2.75,-2.4595385001656087
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[NH+]1CCCC[C@H]1c1nc2ccccc2s1,C09713176_decoy,GCR,Decoy,0,-9.83925,-2.19,-2.4,-3.920258382615421
NC1=[NH+][C@@H](c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)n2c(nc3ccccc32)N1,C10059075_decoy,GCR,Decoy,0,-8.25136,-5.38,-3.52,-4.254101374671656
NC1=[NH+][C@@H](c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)n2c(nc3ccccc32)N1,C10059076_decoy,GCR,Decoy,0,-7.44819,-5.52,-4.12,-4.141638512533784
O=c1c2c3c(sc2ncn1CCc1ccccn1)C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)CC3,C12158955_decoy,GCR,Decoy,0,-6.19639,-4.56,-1.68,-3.355536469113777
C[NH+](C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21,C12368309_decoy,GCR,Decoy,0,-11.4416,-7.17,-2.29,-10.486667264167918
C[NH+](C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21,C12368310_decoy,GCR,Decoy,0,-11.4173,-5.55,-2.6,-9.341459716512995
CCCCCCN1C(=O)NC(=O)[C@]2(Cc3cc4cc(C)ccc4[nH+]c3N3CCCC[C@@H]32)C1=O,C09129189_decoy,GCR,Decoy,0,-11.2181,-1.48,-2.4,-4.167742765417096
FC(F)(F)c1cccc(Nc2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CCCC4)c1,C02643560_decoy,GCR,Decoy,0,-7.04385,-6.57,-2.05,-4.204602273207845
Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCC(C)CC2)o1,C21659826_decoy,GCR,Decoy,0,-6.61751,-4.78,-2.17,-3.5453442613049875
CCOC(=O)c1ccccc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2[C@H]1CC,C21918983_decoy,GCR,Decoy,0,-6.83961,-3.7,-2.18,-3.418190380325297
C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1,C25529770_decoy,GCR,Decoy,0,-6.90996,-6.92,-4.24,-4.667509142983073
Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCCC3)cc(=O)c2cc1Cl,C28289971_decoy,GCR,Decoy,0,-10.2633,-3.79,-2.5,-4.779098393432109
C[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)CC1,C30827865_decoy,GCR,Decoy,0,-9.47085,-5.66,-1.4,-5.279041006993495
CC[C@@H](c1nc2ccccc2c(=O)n1CC)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1,C35033980_decoy,GCR,Decoy,0,-9.08583,-3.64,-2.24,-4.212671609195811
C[NH+]1CCN(C(=O)c2c(NC(=O)c3ccc(Br)cc3)sc3c2CC[C@H](C(C)(C)C)C3)CC1,C35238568_decoy,GCR,Decoy,0,-6.76435,-2.95,-2.78,-2.984528173966985
CC(C)[NH+]1CCN(c2nc(-c3ccc(F)c(Cl)c3)c3c(N)n(-c4ccccc4Cl)nc3n2)CC1,C35578489_decoy,GCR,Decoy,0,-7.58575,-2.86,-5.45,-3.099374188295933
CC(=O)/[NH+]=c1/ccc2c(CSc3nc(N)c4c5c(sc4n3)C[C@H](C)CC5)cc(O)oc-2c1,C36220571_decoy,GCR,Decoy,0,-12.3035,-4.15,-3.79,-4.720623982054545
Nc1c2c(-c3cccc(F)c3)nc(N3CCC([NH+]4CCCCC4)CC3)nc2nn1-c1cc(F)ccc1F,C37377597_decoy,GCR,Decoy,0,-6.44778,-2.91,-5.31,-2.5431935478646337
O=C(Nc1cccc(Cl)c1Cl)C1=CC2=[NH+][C@H](c3ccc4c(c3)OCO4)C[C@H](C(F)(F)F)N2N1,C03011145_decoy1,GCR,Decoy,0,-10.8696,-3.15,,-4.135771530731985
C[NH+]1CCN([C@@H](c2ccccc2Cl)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1,C38546496_decoy,GCR,Decoy,0,-7.74038,-3.17,-2.19,-3.6821302659208457
C[NH+]1CCN([C@H](c2ccccc2Cl)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1,C38546497_decoy,GCR,Decoy,0,-7.36122,-4.11,-2.68,-3.90768851423678
CN1CCCc2cc([C@@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[NH+]3CCCC3)ccc21,C38670519_decoy,GCR,Decoy,0,-7.15711,-9.38,-1.28,-5.860491701603092
CN1CCCc2cc([C@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[NH+]3CCCC3)ccc21,C38670521_decoy,GCR,Decoy,0,-11.5959,-3.06,-3.83,-4.552671176357903
CN1CCc2cc([C@@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[NH+]3CCCCC3)ccc21,C38671523_decoy,GCR,Decoy,0,-6.04251,-8.41,-4.87,-5.097295415647739
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)N1c2ccccc2CCc2ccccc21,C38770236_decoy,GCR,Decoy,0,-6.83984,-5.15,-1.76,-4.149172836988594
CCOc1ccc([C@H]2[NH+]=NC(=S)N2/N=C/c2cc(Br)cc(Br)c2O)cc1,C38975458_decoy,GCR,Decoy,0,-11.4445,-7.14,-0.99,-10.013470990572085
CC(C)[NH+]1CCC2(CC1)CC(=O)c1cc(-c3cccc(C(=O)N[C@@H]4CCCc5ccccc54)c3)ccc1O2,C39227458_decoy,GCR,Decoy,0,-10.7791,-3.43,-4.93,-4.087847588762218
O=C1[NH+]=c2ccc(Br)cc2=C(c2ccccc2)[C@@H]1C1=NN[C@H](c2cccc([N+](=O)[O-])c2)C1,C39720034_decoy,GCR,Decoy,0,-10.1321,-6.12,-1.97,-7.43209765265614
Cc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1)CC3,C39881548_decoy,GCR,Decoy,0,-12.4729,-3.32,-3.45,-5.205360512221211
CC(C)c1ccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=c4ccccc4=[NH+]C(=O)[C@@H]32)cc1,C39916378_decoy,GCR,Decoy,0,-7.16215,-5.73,-4.99,-3.708723466355807
Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3,C20413322_decoy,GCR,Decoy,0,-12.6906,-4.68,-3.51,-5.948083604488143
[NH2+]=C1/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN12,C51466516_decoy,GCR,Decoy,0,-11.6962,-4.49,,99.0
O=C(N/[NH+]=c1\oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1)c1cccc(Br)c1,C27496749_decoy,GCR,Decoy,0,-7.41582,-3.55,-2.61,-2.9924461990712405
Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=[NH+]\c2ccc(S(N)(=O)=O)cc2)cc1,C59170407_decoy,GCR,Decoy,0,-7.82616,-7.11,-4.75,-4.481879962494177
Cc1ccc2o/c(=[NH+]\c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1,C59170617_decoy,GCR,Decoy,0,-7.93842,-2.61,-4.23,-3.1234065493668366
CC[NH+]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1,C15947257_decoy,GCR,Decoy,0,-12.0872,-2.63,-1.4,-4.8887574902973325
Cc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(c4ccc(C(=O)NCC(C)C)cc4)C(=O)N32)cc1,C63375168_decoy,GCR,Decoy,0,-6.77309,-3.39,-4.3,-3.010751718268942
Cc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(c4ccc(C(=O)NCC(C)C)cc4)C(=O)N32)cc1,C63375170_decoy,GCR,Decoy,0,-6.93341,-2.78,-4.1,-2.795701648492808
C[C@@H]1c2cc3c(cc2OC(=O)[C@H]1CC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)OC(C)(C)CC3,C63384858_decoy,GCR,Decoy,0,-10.4862,-6.01,-5.21,-5.048829465135134
Cc1cccc(N2CCN(C(=O)[C@@H]3[NH+]=c4ccc(C)cc4=C3NC(=O)c3ccc(Cl)cc3)CC2)c1,C63447887_decoy,GCR,Decoy,0,-6.78123,-2.1,-2.61,-2.5876504684850423
C[C@@H](NC(=O)[C@@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2,C63530470_decoy,GCR,Decoy,0,-8.78676,-9.37,-2.63,-8.806639343406841
CCOc1cccc([C@@H]2N=[NH+]C(=S)N2/N=C/c2cc(Br)cc(Br)c2O)c1,C38965300_decoy,GCR,Decoy,0,-11.9563,-4.34,-0.84,-5.319472635625957
O=C(N/N=C/c1ccc(Br)cc1)[C@H]1[NH+]=c2ccc([N+](=O)[O-])cc2=C1c1ccccc1,C63760994_decoy,GCR,Decoy,0,-9.81101,-3.49,-3.12,-4.143244629031004
CC(=O)c1cccc(N[C@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(Cl)ccc2Cl)c1,C38976636_decoy,GCR,Decoy,0,-11.5639,-4.1,-4.11,-5.03426186292088
CC(=O)c1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(Cl)ccc2Cl)cc1,C38984499_decoy,GCR,Decoy,0,-9.96422,-4.38,-2.42,-4.733413329610321
CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)C2=c4ccccc4=[NH+]C(=O)C2)c1O)CCCC3,C64044567_decoy,GCR,Decoy,0,-6.80812,-3.2,,99.0
CC[NH+]1CCC[C@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3cc(Cl)ccc23)C1,C05105989_decoy,GCR,Decoy,0,-8.16355,-7.21,-1.97,-4.824759823293072
Oc1ccccc1-c1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1,C09075669_decoy,GCR,Decoy,0,-7.6534,-4.34,-3.09,-3.865829920392229
Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)[NH2+][C@H](c3cc(Br)ccc3O)C2)cc1,C09542937_decoy,GCR,Decoy,0,-11.1992,-3.18,-2.86,-4.155883362115574
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(C[NH+]2CCCC[C@H]2CC)c1O,C02201168_decoy,GCR,Decoy,0,-7.08394,-3.69,-4.03,-3.446226569388277
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(C[NH+]2CCCC[C@@H]2C)c1O,C11869516_decoy,GCR,Decoy,0,-6.05686,-3.1,-3.84,-2.6820756019180854
O=C(Nc1c([C@H](c2cccc(Br)c2)[NH+]2CCCCC2)oc2ccccc12)c1cccs1,C15859434_decoy,GCR,Decoy,0,-6.56205,-2.48,-3.43,-2.906946604506826
CC[NH+]1CCC[C@@H](Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3cc(Cl)ccc23)C1,C16975502_decoy,GCR,Decoy,0,-8.04938,-8.02,-3.13,-5.151157270740015
Cc1cc(O)oc2c/c(=[NH+]/C(=S)N3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc1-2,C20344230_decoy,GCR,Decoy,0,-7.97749,-3.76,-1.37,-3.4002291591460128
FC(F)Oc1cc(Cl)ccc1[C@@H]1C[C@H](c2ccc(Br)cc2)n2c([nH+]c3ccccc32)N1,C02919054_decoy,GCR,Decoy,0,-10.6359,2.64,-1.2,-3.961842643545839
Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2Cl)[NH2+]1,C20763862_decoy,GCR,Decoy,0,-6.56606,-4.34,-1.74,-2.9552818069885896
Oc1ccc(Br)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2Cl)[NH2+]1,C20763976_decoy,GCR,Decoy,0,-7.55069,-3.59,-3.77,-2.926325777763732
Cc1ccc(C2=N[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[NH2+][C@H](c3cc(Br)ccc3O)C2)cc1,C20764905_decoy,GCR,Decoy,0,-5.5899,-4.57,,99.0
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3N3CC[NH+](C)CC3)o2)cc1Cl,C20972926_decoy,GCR,Decoy,0,-10.4411,-3.23,-5.19,-4.092388021865781
CSC1=[NH+]C2=C(CCC/C2=C\c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1,C23230310_decoy,GCR,Decoy,0,-12.4059,-3.84,-2.1,-4.739409826787319
Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=[NH+]\Nc2ccc(Br)cc2)cc1O,C27834366_decoy,GCR,Decoy,0,-6.83698,-3.26,-1.52,-2.958073325295133
O=C(Nc1ccccc1Br)Nc1c(O)oc2ccccc2c1=[NH+]C1CCCCC1,C28048644_decoy,GCR,Decoy,0,-10.529,-4.17,-3.55,-3.94301191620342
CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(C)C)oc2c(C[NH+]2CCCC[C@H]2C)c1O,C28120838_decoy,GCR,Decoy,0,-7.07453,-2.24,-3.53,-2.643846335369925
CCc1oc2c(C[NH+]3CCCC[C@H]3CC)c(O)ccc2c(=O)c1-c1nc2ccccc2s1,C28121125_decoy,GCR,Decoy,0,-10.6914,-9.27,-1.5,-17.19545509355364
Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Nc3ccc(Br)cc3F)cc12,C32953770_decoy,GCR,Decoy,0,-12.0625,-7.16,-1.51,-6.188128387701278
S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2cccc[nH+]2)CC1,C33406472_decoy,GCR,Decoy,0,-9.487,-2.23,-2.49,-3.572429813383653
O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2o/c1=[NH+]\Nc1ccc(Cl)cc1,C12463616_decoy,GCR,Decoy,0,-8.38657,-3.74,-2.48,-3.6082614990675776
CC(C)(C)c1cc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O,C35615920_decoy,GCR,Decoy,0,-6.4683,-3.99,-2.34,-3.6077573883369936
O=C1[C@@H]2[C@@H](c3ccc(F)cc3)[NH2+][C@H](c3ccc(F)cc3)[C@H]1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1,C36026161_decoy,GCR,Decoy,0,-6.9836,-3.43,-1.3,-3.0598816717333737
COc1ccc([C@H]2[NH2+]CCc3c2[nH]c2ccccc32)cc1CSc1nc2ccccc2s1,C08432241_decoy,GCR,Decoy,0,-11.4216,-7.76,-3.92,-8.226605209804735
O=C(Nc1cc(Cl)cc(Cl)c1)C1=CC2=[NH+][C@@H](c3ccc(Cl)cc3)C[C@H](C(F)(F)F)N2N1,C03011890_decoy,GCR,Decoy,0,-11.0683,18.64,-3.14,3.065806887468717
Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2/C=C/C2=c3ccccc3=[NH+][C@@H]2C)c1,C38597055_decoy,GCR,Decoy,0,-7.20235,-3.66,-3.12,-3.34177151803701
CC(C)[NH+]1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)N[C@H](C)C(C)(C)C)cc3)ccc1O2,C39227469_decoy,GCR,Decoy,0,-7.17826,-4.39,-2.79,-3.075401190223747
O=C1[NH+]=c2ccccc2=C(c2ccccc2)[C@@H]1S[C@@H]1NN[C@H](c2cccs2)N1c1ccccc1,C39330104_decoy,GCR,Decoy,0,-8.86277,-5.2,-20.31,-4.576040823827597
O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(Cc4ccccc4)C(Cc4ccccc4)=C[C@@H]3C[C@@H]2CO1,C39467032_decoy,GCR,Decoy,0,-6.5482,-4.08,-3.53,-3.353721206351492
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1[nH+]cnc(N2CCc3ccccc32)c1N,C40687258_decoy,GCR,Decoy,0,-13.3749,-8.3,-6.99,-9.229383397457488
CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1C=C(c3ccc(Br)s3)NN12,C01793919_decoy,GCR,Decoy,0,-10.9199,-2.84,-2.12,-4.157346152656029
CCOc1cc(Br)cc2cc(C(N)=S)/c(=[NH+]/c3ccc(Cl)cc3Cl)oc12,C59170939_decoy,GCR,Decoy,0,-7.32066,-3.61,-1.83,-2.9962288476686667
COc1ccc(-c2sc3[nH+]c4c(c(-c5ccc(OC)cc5)c3c2N)C[C@@H](C(C)(C)C)CC4)cc1,C59513542_decoy,GCR,Decoy,0,-7.03514,3.86,-0.93,-0.9560892699421312
CC[C@@]1(C)NN(c2ccccc2)C(SCC(=O)N2c3ccccc3Sc3ccccc32)=[NH+]1,C59564845_decoy,GCR,Decoy,0,-5.33769,-5.9,-2.43,-3.96014274003738
Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=[NH+]\c2sc3c(c2C#N)CCCC3)cc1,C15931364_decoy,GCR,Decoy,0,-10.0637,-4.9,-4.6,-4.273205454942969
Cc1ccc(/[NH+]=c2\oc3c(Br)cc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1,C12523865_decoy,GCR,Decoy,0,-7.07436,-4.64,-4.87,-3.1722917833739084
CC1=C(c2[nH]c(-c3ccccc3)c(-c3ccccc3)[nH+]2)[C@@H](N2CCCCC2)N(c2ccccc2)N1,C39944098_decoy,GCR,Decoy,0,-10.7784,22.96,-4.19,5.480357980004984
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2ccc(F)c(Cl)c2)cc1,C63572163_decoy,GCR,Decoy,0,-10.4488,-4.08,-1.4,-4.919718447058139
O=C(Nc1ccccc1Br)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@@H]1c1ccc(F)cc1,C63572484_decoy,GCR,Decoy,0,-8.08604,-4.11,-2.81,-3.7741639192607006
COc1ccc([C@H]2[C@H]3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2ccc(C)cc2Cl)cc1,C63572982_decoy,GCR,Decoy,0,-6.54811,-3.44,-0.69,-3.370823275302416
COc1ccc([C@H]2[C@H]3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2ccc(C)cc2C)cc1,C63573066_decoy,GCR,Decoy,0,-5.53018,-3.06,-3.21,-2.6525678836215363
COc1ccc([C@H]2[C@@H]3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2ccc(C)cc2C)cc1,C63573068_decoy,GCR,Decoy,0,-5.29205,-3.44,-4.23,-2.533084954918726
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2ccc(C)cc2C)cc1,C63573071_decoy,GCR,Decoy,0,-6.89591,-3.25,-4.0,-3.272794997449482
Cc1cc(C)cc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(Cl)ccc2Cl)c1,C38971075_decoy,GCR,Decoy,0,-9.35629,-4.21,-1.58,-4.411842724307392
CCOC(=O)c1ccccc1NC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(C)cc1,C64622891_decoy,GCR,Decoy,0,-10.3912,-3.78,-4.53,-4.968175263000049
COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[NH+](C)C4)cc1,C35427141_decoy,GCR,Decoy,0,-6.55939,-2.17,-4.51,-2.822526948612577
COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)cc(C)c2)CC[NH+](C)C4)cc1,C35427147_decoy,GCR,Decoy,0,-4.38731,-2.88,-2.76,-1.88700480073395
COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[NH+](C)C4)cc1,C35427163_decoy,GCR,Decoy,0,-6.28851,-2.57,-4.82,-2.7842016811226955
Cc1ccc(NC(=O)N2Cc3c(sc4c3CC[NH+](C)C4)-n3cccc3[C@@H]2c2ccc(F)cc2)c(Cl)c1,C35427250_decoy,GCR,Decoy,0,-5.89467,-5.95,-4.19,-3.379132398299138
Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=[NH+]\c2ccc(C)c(C)c2)n1,C67294655_decoy,GCR,Decoy,0,-7.7552,25.92,-4.83,5.438839923190909
CCCCNc1nc2c(s1)C[C@]1(C)CC[C@@H]([C@H](C)C(=O)N3CC[NH+](C)CC3)[C@H](O)[C@H]1[C@@H]2C,C03840570_decoy,GCR,Decoy,0,-12.7904,-3.44,-2.59,-5.786462127109255
Cc1ccc([C@@H]([NH2+]CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c2ccccc2)cc1,C07542464_decoy,GCR,Decoy,0,-9.42572,-8.79,-2.18,-9.192689551084722
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCC[NH+]2CCCC2)s1,C09324722_decoy,GCR,Decoy,0,-10.4728,-7.24,-3.6,-7.604069532950314
Cc1ccc(SCCCC(=O)Nc2sc3c(c2C#N)CC(C)(C)[NH2+]C3(C)C)cc1,C09473905_decoy,GCR,Decoy,0,-10.2623,-5.57,-6.28,-5.264778792433809
CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1,C09500271_decoy,GCR,Decoy,0,-9.35013,-9.08,-1.47,-9.989276091025143
CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2,C11093902_decoy,GCR,Decoy,0,-10.3387,-8.48,-1.07,-10.030681915331291
Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1C,C12042767_decoy,GCR,Decoy,0,-10.1603,-3.89,-1.87,-4.819558677086672
C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,C13007098_decoy,GCR,Decoy,0,-10.0404,-8.37,-1.48,-9.867444430828984
COc1cc(Cl)c([C@@H](Nc2cccc[nH+]2)c2cc(Cl)c3cccnc3c2O)cc1OC,C06395460_decoy,GCR,Decoy,0,-10.6572,-2.44,-2.18,-4.225434845343926
O=C(NCc1cccs1)c1cc2cc(C3(O)CC[NH+](C[C@H]4CC=CCC4)CC3)ccc2o1,C14988955_decoy,GCR,Decoy,0,-13.5686,18.12,-3.04,1.8385939694769504
CC(C)(CO)C[NH2+][C@@H]1CCc2c(sc3ncn(Cc4cc5ccccc5s4)c(=O)c23)C1,C15002724_decoy,GCR,Decoy,0,-12.9819,-3.21,-4.38,-5.3691299251868765
CCNC(=O)[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1cccc2ccccc12,C20293876_decoy,GCR,Decoy,0,-8.64766,-4.86,-3.97,-4.491845021702805
CN(C)c1ccc([C@H](CNC(=O)Nc2cccs2)[NH+]2CCc3ccccc3C2)cc1,C22419141_decoy,GCR,Decoy,0,-10.2863,-4.28,-4.27,-4.986089252881866
C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1c(O)ccc2cc(Br)ccc12,C27540597_decoy,GCR,Decoy,0,-10.4014,-5.61,-1.57,-7.311820548607029
O=C(Nc1sc2c(c1[C@H](Nc1cccc[nH+]1)c1ccsc1)CCCC2)c1ccccc1,C35476878_decoy,GCR,Decoy,0,-11.0047,-3.13,-5.13,-5.004304020352117
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]/c2=N\C(=O)C[NH2+]Cc2ccco2)cc1C,C35667440_decoy,GCR,Decoy,0,-6.31145,-2.62,-3.54,-2.303499354325713
Cc1cccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4ccc(Cl)cc4)c3c2N)c1,C35925725_decoy,GCR,Decoy,0,-7.37985,-4.37,-4.84,-3.478407863704487
CN1CCCc2cc([C@H](CNC(=O)NCc3cccc4ccccc34)[NH+](C)C)ccc21,C38517516_decoy,GCR,Decoy,0,-10.1757,-7.99,-3.06,-8.136810965164797
Cc1cccc(N[C@H](c2cccc(F)c2)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1,C38546980_decoy,GCR,Decoy,0,-10.9558,-3.56,-2.01,-4.992791534255816
Cc1ccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1,C38547006_decoy,GCR,Decoy,0,-10.4885,-3.96,-4.36,-4.923737118816742
Cc1cc[nH+]c(N[C@H](c2ccccn2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1,C38547400_decoy,GCR,Decoy,0,-10.7382,-3.48,-2.23,-3.70199919445764
Cc1ccc([C@H](Nc2cccc[nH+]2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1,C38547509_decoy,GCR,Decoy,0,-8.71777,-3.9,-3.78,-4.396041451620625
Cc1cc[nH+]c(N[C@@H](c2ccc(F)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,C38547576_decoy,GCR,Decoy,0,-10.5234,-4.5,-1.68,-5.173729198567411
Cc1cc[nH+]c(N[C@H](c2ccc(F)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,C38547578_decoy,GCR,Decoy,0,-6.8504,-3.94,-3.93,-3.726717000913172
Cc1cccc(N[C@H](c2cccc(F)c2)c2c(NC(=O)c3ccco3)sc(C)c2C)[nH+]1,C38547590_decoy,GCR,Decoy,0,-10.2359,-3.29,-1.77,-3.282274047861417
Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2cccs2)c1C,C38547722_decoy,GCR,Decoy,0,-10.4036,-3.99,-2.43,-4.988865504666845
C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@H]2c2ccc(O)cc2)cc1)[NH+]1CCCC1,C38664911_decoy,GCR,Decoy,0,-12.4598,-3.97,-4.43,-5.135351036612194
O=C(NC(c1ccccc1)c1ccccc1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1,C39229456_decoy,GCR,Decoy,0,-11.3788,-2.01,-1.41,-5.046323744283029
O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(Br)C(Cc4ccccc4)=C[C@@H]3C[C@@H]2CO1,C39467074_decoy,GCR,Decoy,0,-6.98022,-2.67,-1.46,-2.705561423574481
CCOC1=C[C@H]2C[C@H]3CO[P@](=O)(c4ccccc4O)N[NH+]3C[C@@H]2C=C1Cc1ccccc1,C39467473_decoy,GCR,Decoy,0,-10.4423,-3.34,-3.42,-4.187436778855761
Cc1ccc([C@@H]2NN(c3cccc(F)c3)C[C@H]2C[NH2+]C[C@H]2N=NC3=C2CCCCC3)o1,C39515824_decoy,GCR,Decoy,0,-7.76559,-3.6,-2.95,-3.7827981465695535
Cc1ccc([C@@H]2NN(c3cccc(F)c3)C[C@@H]2C[NH2+]C[C@H]2N=NC3=C2CCCCC3)o1,C39515829_decoy,GCR,Decoy,0,-6.21732,-4.22,-1.91,-3.158575172796041
CC(C)(C)NC(=O)CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,C39991136_decoy,GCR,Decoy,0,-9.29977,-7.91,-3.21,-15.531321108415884
Cc1cccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1,C38551041_decoy,GCR,Decoy,0,-11.7953,-3.59,-4.14,-5.315100129345821
CC[C@H]([NH2+]CC(=O)/N=c1/[nH]c(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1,C19640044_decoy,GCR,Decoy,0,-11.26,-6.32,-2.6,-8.594119862224241
Clc1ccc2[nH]c(CC[NH2+]Cc3cc4cc5c(cc4nc3-c3ccsc3)OCO5)nc2c1,C15067625_decoy,GCR,Decoy,0,-9.12939,-5.89,-2.0,-6.181692866465835
CC1=[NH+]c2sc(-c3ccccc3)cc2[C@H](SCC(=O)Nc2c(F)cccc2F)N1,C02655218_decoy,GCR,Decoy,0,-10.6391,-9.13,-2.55,-8.77033165229029
Cc1ccc(CN(C(=S)Nc2ccc(Br)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,C59092628_decoy,GCR,Decoy,0,-10.1093,-8.5,-1.23,-12.995185762891683
C[C@H](NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)c1ccccc1Cl,C59264023_decoy,GCR,Decoy,0,-9.35935,-2.54,-2.75,-3.69779367027742
O=C(/C=C1/CS[C@@H](c2ccccc2)N1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1cccs1,C63122563_decoy,GCR,Decoy,0,-12.1636,-8.7,-3.36,-9.683368657803026
Cc1cc(C)cc(NC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)c2cccs2)c1,C63182474_decoy,GCR,Decoy,0,-6.7428,-4.83,-1.04,-3.6879703793151206
O=C1/C(=C\NCCC2=c3ccccc3=[NH+]C2)C(c2ccccc2)=NN1[C@@H]1Nc2ccccc2S1,C63254413_decoy,GCR,Decoy,0,-6.54656,-4.15,-3.43,-3.0550455262306104
O=C1/C(=C\NCCC2=c3ccccc3=[NH+]C2)C(c2ccccc2)=NN1[C@H]1Nc2ccccc2S1,C63254414_decoy,GCR,Decoy,0,-7.33887,-6.34,-4.68,-4.275075823807871
CC1=C(S(=O)(=O)NCCC2=c3cc(Cl)ccc3=[NH+]C2)[C@H](C)N(c2ccccc2)N1,C63547661_decoy,GCR,Decoy,0,-9.61775,-7.76,-1.36,-8.154649835220118
COC(=O)c1ccccc1NC(=O)N1CCc2[nH]c[nH+]c2[C@H]1c1ccc(F)c(Cl)c1,C40283348_decoy,GCR,Decoy,0,-11.2638,-3.93,-3.41,-5.052799099866028
O=C(/C=C1/CS[C@@H](c2ccsc2)N1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1cccs1,C64139133_decoy,GCR,Decoy,0,-11.9285,-5.51,-6.92,-6.194071622778846
O=C(NC[C@H]1COc2ccccc2O1)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1,C64175264_decoy,GCR,Decoy,0,-9.22555,-7.38,-1.66,-6.086272853778808
Cc1ccc2c(c1)=C(CCNC(=O)[C@@H](C)N1C(=O)[C@H](C(F)(F)F)Nc3ccccc31)C[NH+]=2,C64538283_decoy,GCR,Decoy,0,-9.0402,-7.53,-2.43,-6.250929541877813
C[C@H](C(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)N1C(=O)[C@@H](C(F)(F)F)Nc2ccccc21,C64538288_decoy,GCR,Decoy,0,-9.0516,-7.23,-2.66,-6.236218543733363
CCOc1ccc(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1,C67294276_decoy,GCR,Decoy,0,-6.59661,-4.12,-3.9,-3.3136437863369173
Cc1sc2nc([C@H](C)Sc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(Cl)cc3)[nH]c(=O)c2c1C,C09102675_decoy,GCR,Decoy,0,-10.624,-5.88,-3.99,-5.718629348400616
O=C(Nc1cc(Cl)ccc1-n1cncn1)C1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1,C09670334_decoy,GCR,Decoy,0,-11.3204,-3.39,-2.23,-4.847855025193607
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21,C12498262_decoy,GCR,Decoy,0,-6.51917,-3.79,-2.98,-3.009937472777714
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@@H](c2ccccc2F)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21,C12498268_decoy,GCR,Decoy,0,-6.54352,-3.15,-3.83,-2.818694647209009
O=C(C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)Nc1ccc(Cl)cc1C(=O)c1ccccc1,C12888274_decoy,GCR,Decoy,0,-7.02991,-4.56,-2.79,-3.807220520494085
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1,C09493955_decoy,GCR,Decoy,0,-11.0334,-3.17,-2.56,-4.763051771617183
C[C@H]1CCc2c(sc3nc(C[NH+]4CCOCC4)nc(NCCc4ccc5c(c4)OCCO5)c23)C1,C02645479_decoy,GCR,Decoy,0,-8.09475,-2.71,-4.18,-2.9491881300135363
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2,C14732325_decoy,GCR,Decoy,0,-12.1818,-4.59,-3.95,-5.263755414322033
C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,C14925494_decoy,GCR,Decoy,0,-8.83196,-4.28,-3.93,-4.254377374179246
Cc1nc([C@@H](C)[NH2+]Cc2cc3cc4c(cc3n(Cc3cc5c(cc3Cl)OCO5)c2=O)CCC4)cs1,C14978357_decoy,GCR,Decoy,0,-7.48751,-3.63,-4.3,-3.598363535492669
Cc1nc([C@H](C)[NH2+]Cc2cc3cc4c(cc3n(Cc3cc5c(cc3Cl)OCO5)c2=O)CCC4)cs1,C14978360_decoy,GCR,Decoy,0,-7.82783,-4.23,-3.26,-3.939336726760328
Cc1nc(N2CCC[C@H]([NH2+]CCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)nc2cc(S(C)(=O)=O)ccc12,C14995377_decoy,GCR,Decoy,0,-12.5785,-3.81,-3.66,-5.084586030503976
CC(C)c1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)cc1,C15005112_decoy,GCR,Decoy,0,-12.7596,24.99,-2.91,4.841847923506563
C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3occc32)C(=O)N1CCC[NH+]1CCCCCC1,C15675647_decoy,GCR,Decoy,0,-6.7345,-0.24,-3.33,-2.1264167913296346
C[NH+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1,C15675683_decoy,GCR,Decoy,0,-7.01645,-3.31,-2.44,-2.8504322457308766
Cc1c(C)c(C)c(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1C,C21776604_decoy,GCR,Decoy,0,-6.9377,-3.39,-3.88,-2.9900290650935872
C[NH+]1CCN([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)c2cccs2)CC1,C22917278_decoy,GCR,Decoy,0,-7.25211,-3.71,-3.69,-3.3468946231614494
O=C(C[NH+]1CCc2sccc2[C@@H]1C1CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl,C25061558_decoy,GCR,Decoy,0,-12.4946,-3.89,-4.88,-5.286713894560703
C[C@H](C(=O)Nc1ccc(Br)cc1F)[NH+]1CCN(c2ccc(Br)cn2)CC1,C30201495_decoy,GCR,Decoy,0,-11.0961,-3.54,-3.65,-4.569254637995319
O=C(NC1CC[NH+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)CC1)C1CC1,C30278026_decoy,GCR,Decoy,0,-7.22243,-4.33,-3.93,-3.614319685797662
C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)[NH+]1CCc2sccc2C1,C31964563_decoy,GCR,Decoy,0,-12.4267,-4.68,-4.13,-5.78982811479041
CCc1c(C)sc2nc(N3CC[NH+](C)CC3)n(CC(=O)Nc3ccc(Br)cc3)c(=O)c12,C34748921_decoy,GCR,Decoy,0,-6.75427,-3.18,-3.91,-2.97772585849984
CCCCNC(=O)N1CCCN(C(=O)[C@H](C)[NH+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1,C34830569_decoy,GCR,Decoy,0,-6.71252,-3.22,-3.79,-3.352101891565198
C[C@H]1C[NH+]([C@@H](C)c2nc3cc(Cl)ccc3c(=O)n2C)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1,C35034923_decoy,GCR,Decoy,0,-11.0466,-4.0,-4.82,-4.840993350470463
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1,C36832479_decoy,GCR,Decoy,0,-11.9247,-3.52,-3.05,-5.5704352046980565
CC[NH+]1CCN(c2ccc(NC(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)c(C)c2)CC1,C36877572_decoy,GCR,Decoy,0,-11.1317,-3.86,-0.84,-4.311109875671326
CCc1cc([C@@H](c2ccc(Br)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1,C38546464_decoy,GCR,Decoy,0,-7.12444,-2.86,-4.94,-3.3819895965037725
Cc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccc4c(c3)CCCN4C)[NH+]3CCCCC3)CC2=O)cc1C,C38671039_decoy,GCR,Decoy,0,-12.3053,-1.48,-2.06,-4.504875445272678
O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)[C@@H]1C=c2ccccc2=[NH+]C1=O,C38778842_decoy,GCR,Decoy,0,-9.31062,-7.92,-4.22,-6.769082556594677
O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1,C38904751_decoy,GCR,Decoy,0,-10.388,-4.46,-3.94,-5.183421234352105
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH+](Cc3nc(-c4cccc(Br)c4)no3)C2)cc1,C38904771_decoy,GCR,Decoy,0,-11.9791,-4.43,-1.96,-5.3113526789672285
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH+](Cc3nc(-c4cccc(Br)c4)no3)C2)c(C)c1,C38904786_decoy,GCR,Decoy,0,-9.78785,-8.24,-1.78,-6.911144471531139
CSc1cccc(NC(=O)[C@@H]2CCC[NH+](Cc3nc(-c4ccc(Br)cc4)no3)C2)c1,C38905284_decoy,GCR,Decoy,0,-10.9037,-3.76,-2.53,-5.111748787185979
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH2+]CC1(N3CCOCC3)CCCCC1)C2,C23353733_decoy,GCR,Decoy,0,-11.0118,-4.35,-3.38,-5.150820336789938
CC1=N[C@@H](SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)N=C1Cc1ccc(O)cc1,C39448981_decoy,GCR,Decoy,0,-12.2413,-6.25,-4.69,-6.887614122884199
C=CCNc1nc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)[nH+]c2ccccc12,C41150826_decoy,GCR,Decoy,0,-12.7253,-5.52,-4.05,-6.225450748411582
Cc1nc(-c2ccccc2Br)cc([C@H]2C[NH+]3CC[C@@H]2C[C@@H]3CNC(=O)c2ccccc2)n1,C43528129_decoy,GCR,Decoy,0,-11.061,-3.96,-0.8,-5.07286542186673
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2CCC[NH+]21,C35855383_decoy,GCR,Decoy,0,-6.93694,-3.97,-2.06,-2.2823856400721825
Cc1sc2[nH]c(C[NH+]3CCN(c4ncnc5sc6c(c45)CC[C@H](C)C6)CC3)nc(=O)c2c1C,C22260913_decoy,GCR,Decoy,0,-11.7205,-4.56,-6.02,-4.584452008074416
O=C(NCC[NH+]1CCCCC1)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl,C00964202_decoy,GCR,Decoy,0,-11.7165,-2.55,-3.56,-5.125428017503673
Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCC3(N4CC[NH+](C)CC4)CCCCC3)c(C)c12,C20759326_decoy,GCR,Decoy,0,-6.7592,-4.23,-4.62,-3.5844027769985205
C[C@]12C(=O)N(c3cccc(C(=O)NCCc4ccc(F)cc4)c3)C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12,C63362658_decoy,GCR,Decoy,0,-9.20032,-4.4,-3.78,-4.482807261098625
CC[C@@H](C)NC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C1=O,C63375222_decoy,GCR,Decoy,0,-5.45238,-2.85,-3.05,-2.2066470405253247
C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3C)N2C1=O,C63375390_decoy,GCR,Decoy,0,-4.89885,-3.02,-3.49,-2.4039852198043965
O=C(CSc1nnc(C2=c3ccccc3=[NH+]C2)n1-c1ccccc1)Nc1ncc(Cl)cc1Cl,C63778249_decoy,GCR,Decoy,0,-12.1119,-6.81,-4.16,-6.506813191158182
COC(=O)[C@@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cc(Br)c(Br)s1,C63791105_decoy,GCR,Decoy,0,-9.8758,-7.52,-2.55,-8.10694028657094
O=C(NC[C@@H](C1=c2ccccc2=[NH+]C1)c1cccs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1,C63842617_decoy,GCR,Decoy,0,-10.2563,-4.66,-1.41,-5.423403056203754
CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C/C3=c4ccccc4=[NH+]C3)cc2)C1,C64044574_decoy,GCR,Decoy,0,-11.982,-7.18,-3.23,-6.311128497241904
COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2)CC[NH+](C)C4)cc1,C35426976_decoy,GCR,Decoy,0,-5.32715,-2.77,-0.99,-2.612968800621516
Cc1cc2c(C)c(C(=O)N3CCCCCC3)oc2c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1C,C65011035_decoy,GCR,Decoy,0,-6.98735,-3.21,-2.5,-3.0921130232706275
O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C1CCCCC1)C1CCCCC1,C02968249_decoy,GCR,Decoy,0,-11.9998,-3.41,-3.61,-5.165185636962509
O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2cc(C(F)(F)F)[nH+]c3ccccc23)CC1,C08648538_decoy,GCR,Decoy,0,-10.5754,-5.03,-2.58,-5.214414722315563
C[C@H]1C[C@H](C)C[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1,C08754268_decoy,GCR,Decoy,0,-10.5766,-6.57,-2.51,-10.72346112509051
CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)[NH+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1,C08767560_decoy,GCR,Decoy,0,-6.54212,22.24,-4.21,4.598198426624218
CN(C)c1ccc(/C=N/NC(=O)C[NH+]2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)cc1,C08817381_decoy,GCR,Decoy,0,-8.0884,-3.75,-1.54,-3.3494097113318206
C[C@@H](CCc1ccccc1)Nc1ncnc2c1sc1[nH+]c(N3CCCCC3)c3c(c12)CCCC3,C02325710_decoy,GCR,Decoy,0,-9.82509,-3.63,-1.98,-4.592264177116489
CC[NH+]1CCN(c2ccc(Nc3nc(/C=C/c4ccc(Cl)cc4)nc4cc5ccccc5cc34)cc2)CC1,C09070673_decoy,GCR,Decoy,0,-8.58871,10.21,-2.52,0.5604342922718639
CCc1ccc(C2=N[C@@H](c3cccc(Br)c3)[NH2+][C@H](c3cc(Br)ccc3O)C2)cc1,C09542120_decoy,GCR,Decoy,0,-7.18084,0.7,-3.95,-2.02208202258872
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccc(C(C)C)cc2)[NH+]2CCCCC2)c1O,C11867321_decoy,GCR,Decoy,0,-7.09677,-2.75,-4.7,-3.1945416738922567
C[NH+]1CCN(c2nc3ccccc3nc2Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1,C12560098_decoy,GCR,Decoy,0,-7.75907,-4.3,-5.16,-3.8542956385936176
CC(C)(C)c1cc(-c2csc(Nc3ccc(Cl)cc3)[n+]2-c2ccc(Cl)cc2)cc(C(C)(C)C)c1O,C02676990_decoy,GCR,Decoy,0,-7.42542,23.38,-4.5,5.678308221719066
CSc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)[NH+]2CCC(C)CC2)cc1,C15859424_decoy,GCR,Decoy,0,-6.10808,-2.65,-3.06,-2.733069531211928
Cc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCC3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1,C15946062_decoy,GCR,Decoy,0,-7.02033,-3.39,-5.02,-3.152571556275591
Cc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1,C15946561_decoy,GCR,Decoy,0,-7.11856,-3.7,-5.26,-3.267519692986252
C/C(=N\C1CC(C)(C)[NH2+]C(C)(C)C1)c1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O,C08973217_decoy,GCR,Decoy,0,-7.71013,-3.68,-4.27,-3.5565722084671365
C[NH+]1CCN(Cc2cc(-c3cc4ncc(C#N)c(Nc5ccc(Cl)cc5Cl)c4s3)cs2)CC1,C22933673_decoy,GCR,Decoy,0,-13.693,-4.12,-3.69,-5.411840204537398
Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,C27117701_decoy,GCR,Decoy,0,-9.99942,-2.24,-2.88,-4.120583335420045
CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(CC)oc2c(C[NH+]2CCCC[C@H]2CC)c1O,C28120754_decoy,GCR,Decoy,0,-9.66716,-3.9,-3.11,-4.473687646021314
CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(CC)oc2c(C[NH+]2CCCC[C@@H]2CC)c1O,C28120761_decoy,GCR,Decoy,0,-10.7589,-3.85,-4.32,-4.967688029014881
C=C(Nn1c(-c2ccc(Cl)cc2)cs/c1=[NH+]\c1ccccc1F)c1ccc(-n2ccnc2)cc1,C03245469_decoy,GCR,Decoy,0,-7.74179,-9.05,-4.79,-5.70273069490128
Cc1ccc2[nH+]c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccc4c(c3)OCO4)n2c1,C35615916_decoy,GCR,Decoy,0,-5.46762,-5.15,-3.16,-3.2483937800999905
C[NH+](Cc1cc(C(C)(C)C)cc(Br)c1O)Cc1cc(C(C)(C)C)cc(Br)c1O,C01681099_decoy,GCR,Decoy,0,-10.9776,-7.53,-5.69,-10.581420186902587
O=C(Nc1ccc(Cl)c(Cl)c1)C1=CC2=[NH+][C@@H](c3ccc(Cl)cc3)C[C@H](C(F)(F)F)N2N1,C03011903_decoy,GCR,Decoy,0,-10.3896,-8.27,-2.78,-10.813022690788946
Oc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1[C@H]1[NH+]=NC=C1Oc1ccccc1Br,C38676536_decoy,GCR,Decoy,0,-10.9312,-7.42,-4.06,-7.50319880957669
O=C(/C(=C(/[O-])c1ccccc1)[C@H](c1ccccc1)[C@@H]1[NH+]=c2ccccc2=[NH+]C1=O)c1ccccc1,C38688928_decoy,GCR,Decoy,0,-7.42592,-4.53,-3.8,-4.156344983108223
Cc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)Nc2ccccc2Br)cc1)CC3,C39881519_decoy,GCR,Decoy,0,-11.6779,-3.42,-1.27,-4.114782013722769
Cc1ccc2c(c1)=[NH+][C@H](/C(C#N)=C/c1cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c1)[NH+]=2,C39934871_decoy,GCR,Decoy,0,-9.81592,-8.9,-2.46,-8.304191752520213
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1[nH+]cnc(N(C)c2ccccc2)c1N,C40688693_decoy,GCR,Decoy,0,-11.2997,-3.68,-3.54,-4.832314619311436
Cc1cc[nH+]c(N[C@H](c2cccc(Cl)c2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1,C43220768_decoy,GCR,Decoy,0,-11.9196,-2.58,-4.58,-4.755994095791042
Cc1cc[nH+]c(N[C@@H](c2ccccc2Cl)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1,C38551063_decoy,GCR,Decoy,0,-10.8873,-3.35,-2.44,-4.880873561808902
C1=CC[C@H](c2nc(-c3ccccc3)c(-c3ccc(-c4[nH]c([C@@H]5CC=CCC5)[nH+]c4-c4ccccc4)cc3)[nH]2)CC1,C44594821_decoy,GCR,Decoy,0,-7.98844,21.3,-3.54,4.705377057204133
Cc1ccc(-c2nc(N3CCN(C(=O)Nc4c(C(C)C)cccc4C(C)C)CC3)c(C(C)C)c(C)[nH+]2)cc1,C35890872_decoy,GCR,Decoy,0,-6.81609,-3.94,-3.61,-3.407143284419675
Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH+]c(N5C[C@H](C)C[C@H](C)C5)cc(C)c4c3)C[C@H]2C)cc1,C04788297_decoy,GCR,Decoy,0,-9.65581,-5.93,-3.0,-5.595246150300167
CC[C@H](SC1=[NH+][C@@](C)(CC)NN1c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21,C59564801_decoy,GCR,Decoy,0,-10.4611,-7.95,-2.91,-10.78055102505224
CC[C@@H](SC1=[NH+][C@@](C)(CC)NN1c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21,C59564804_decoy,GCR,Decoy,0,-5.88268,-3.82,-3.61,-3.093763665237142
CC[C@H](SC1=[NH+][C@](C)(CC)NN1c1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21,C59564805_decoy,GCR,Decoy,0,-5.05542,-8.81,-3.9,-4.688718008001686
Cc1cccc(N2C(C3=c4ccccc4=[NH+]C3)=NN[C@H]2S[C@@H](C)C(=O)c2cc(C)ccc2C)c1,C39940152_decoy,GCR,Decoy,0,-7.66306,-3.64,-3.6,-3.691923616151664
Cc1cccc(N2C(C3=c4ccccc4=[NH+]C3)=NN[C@H]2S[C@H](C)C(=O)c2cc(C)ccc2C)c1,C39940154_decoy,GCR,Decoy,0,-7.58261,-2.99,-4.23,-3.39588089774915
Cc1cccc(N2C(C3=c4ccccc4=[NH+]C3)=NN[C@@H]2S[C@H](C)C(=O)c2cc(C)ccc2C)c1,C39940155_decoy,GCR,Decoy,0,-7.08264,-3.87,-2.46,-3.735250314165196
CC1=C(C(=O)NC[C@H](C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)C[C@@H](C)N1c1ccc(F)cc1,C63234500_decoy,GCR,Decoy,0,-6.14906,-11.81,-2.05,-5.824679341234508
CC1=C(C/C=C(C)/C=N/NC(=O)[C@H]2[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C(C)(C)CCC1,C63405940_decoy,GCR,Decoy,0,-6.69283,-7.52,-4.58,-4.660072094777968
COc1ccc([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)cc1COc1cc(C)c(Cl)cc1C(C)C,C63540931_decoy,GCR,Decoy,0,-10.2628,-3.98,-3.21,-4.726021214373865
CCOC(=O)C1CCC(CNC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H]2c2ccc(C)cc2)CC1,C63571657_decoy,GCR,Decoy,0,-6.61293,-3.48,-2.43,-3.4402660731176327
CCOC(=O)C1CCC(CNC(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@H]2c2ccc(C)cc2)CC1,C63571659_decoy,GCR,Decoy,0,-6.04388,-2.82,-3.38,-2.8052188798561097
CCOC(=O)C1CCC(CNC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(C)cc2)CC1,C63571660_decoy,GCR,Decoy,0,-6.02077,-4.37,-2.48,-3.4371944845138525
CC1=C(/C=C/[C@H](C)/C=N/NC(=O)[C@H]2[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C(C)(C)CCC1,C63637466_decoy,GCR,Decoy,0,-6.85276,-4.66,-3.8,-3.990859994959635
Cc1cc(C)cc(N[C@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(Cl)ccc2Cl)c1,C38971074_decoy,GCR,Decoy,0,-6.03055,-4.35,-2.05,-3.1325476354018247
CC[C@H](C)c1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2ccc(C)c(C)c2)cc1,C63761240_decoy,GCR,Decoy,0,-5.91295,-3.63,-2.43,-2.802489928645928
CC[C@@H](C)c1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(C)ccc2C)cc1,C38984103_decoy,GCR,Decoy,0,-8.93914,-4.89,-3.77,-4.493216775285234
Cc1ccc(NC(=O)N2Cc3c(sc4c3CC[NH+](C)C4)-n3cccc3[C@H]2c2ccc(Cl)cc2)cc1,C35427210_decoy,GCR,Decoy,0,-10.1857,-3.47,-3.8,-4.233452029335341
C[N+](C)(C)c1cccc(/N=N/c2ccc(/N=N/c3cc(/N=N/c4ccccc4)c(N)cc3N)c3ccccc23)c1,C03846902_decoy,GCR,Decoy,0,-12.8994,52.6,-5.39,14.387780194321923
O=C(c1ccco1)N1CC[NH+]([C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1,C06191666_decoy,GCR,Decoy,0,-5.96405,-3.49,-1.32,-2.880446148967193
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3sc4c(c3c2=O)CC[NH+](C)C4)cc1,C02447894_decoy,GCR,Decoy,0,-8.57925,-2.52,-4.05,-3.482644871432888
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[NH+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12,C09014262_decoy,GCR,Decoy,0,-10.4783,-3.48,-3.74,-4.258443894648571
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c(C)cc(Cl)cc42)[NH+]2CCC[C@@H]32)c(Br)c1,C09123914_decoy,GCR,Decoy,0,-6.50908,-2.15,-4.49,-1.913273511674143
O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1,C09433596_decoy,GCR,Decoy,0,-6.0641,-2.85,-4.28,-2.9878866918096048
Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCC[C@H](C)C2)cc1C,C03619976_decoy,GCR,Decoy,0,-7.15275,-3.45,-2.27,-3.229242975076489
CC1(C)Cc2c(sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(Cl)s3)c2C#N)C(C)(C)[NH2+]1,C10812108_decoy,GCR,Decoy,0,-7.87479,-4.66,-3.98,-4.053371652614445
C[C@H](C(=O)c1c[nH]c(C(=O)N2CCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)c1)c1ncc(C(F)(F)F)cc1Cl,C03105485_decoy,GCR,Decoy,0,-12.8028,-5.01,-3.93,-6.292072504263451
O=C1NC2(CCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)NN1c1ncc(C(F)(F)F)cc1Cl,C03125251_decoy,GCR,Decoy,0,-10.6978,-2.71,-0.75,-4.199384797744058
O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1,C14959701_decoy,GCR,Decoy,0,-7.87529,-3.52,-3.57,-3.583766610324086
CCOC(=O)N1CCc2c(sc(NC(=O)C[NH+]3CCC[C@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1,C15946152_decoy,GCR,Decoy,0,-8.14662,-3.04,-4.34,-3.680977052381223
CC[C@@H]1CCCC[NH+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2,C15946786_decoy,GCR,Decoy,0,-8.39511,-2.68,-4.53,-3.344974257839635
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[NH+]21,C16012236_decoy,GCR,Decoy,0,-5.26703,-4.03,-2.25,-2.67959348844562
COc1ccc(Cl)cc1NC(=O)CN(C)c1nc(C[NH+]2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3,C03383917_decoy,GCR,Decoy,0,-7.62577,-4.29,-5.85,-3.630069253788021
CC[C@H](C)N1C(=O)/C(=C/c2c(NC3CC(C)(C)[NH2+]C(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S,C02672067_decoy,GCR,Decoy,0,-6.56927,-4.86,-4.25,-3.4467329654979024
Cc1cc(NC(=O)N[C@H](CCC(C)C)c2c(-n3cccc3)sc3c2CC[NH+](C)C3)ccc1Br,C20386614_decoy,GCR,Decoy,0,-11.2297,-2.41,-3.04,-4.836513801498916
CC[C@]1(O)C[C@@H]2C=C3C4=N[C@H]5C=C(Cl)C(C)=C[C@@H]5C(C[NH+]5CCC(C)CC5)=C4CN3C(=O)[C@@H]2COC1=O,C26576212_decoy,GCR,Decoy,0,-8.69922,-4.22,,99.0
CCOC(=O)c1c(/[NH+]=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(OC)cc2)sc2c1CCCC2,C27520363_decoy,GCR,Decoy,0,-8.11652,-3.62,-4.12,-3.843544487180576
COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1,C31055959_decoy,GCR,Decoy,0,-9.98975,-3.05,-5.66,-4.115845112898638
COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1,C31055962_decoy,GCR,Decoy,0,-8.31783,-3.23,-4.05,-3.6907718082883294
O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]c1)Nc1ccccc1C(F)(F)F,C34681259_decoy,GCR,Decoy,0,-7.47148,-4.01,-3.22,-3.5455255642508665
C=CC[NH+]1CCN(c2nc(SCC(=O)Nc3ccc(C)cc3)nc3sc4c(c23)CC(C)(C)OC4)CC1,C34750242_decoy,GCR,Decoy,0,-9.09464,-4.12,-3.64,-4.525557961428029
CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@H](CC(C)C)C(=O)N1CCC[NH+](C)CC1)C2=O,C34791501_decoy,GCR,Decoy,0,-4.66095,-2.71,-4.9,-2.370062854138148
COc1ccc2nc(NC(=O)C3=CC4=[NH+][C@@H](c5ccc6c(c5)OCO6)C[C@H](C(F)(F)F)N4N3)sc2c1,C01326745_decoy,GCR,Decoy,0,-10.3604,-0.35,-3.44,-5.2873883199291285
O=C(Nc1ccccc1N1CCOCC1)C1=CC2=[NH+][C@H](c3ccc4c(c3)OCO4)C[C@@H](C(F)(F)F)N2N1,C01326808_decoy,GCR,Decoy,0,-7.7393,-6.66,-2.22,-4.782818441407031
O=C(Nc1ccccc1N1CCOCC1)C1=CC2=[NH+][C@@H](c3ccc4c(c3)OCO4)C[C@@H](C(F)(F)F)N2N1,C01326812_decoy,GCR,Decoy,0,-11.3458,-8.95,-3.06,-11.43627742466028
COc1ccc2c(c1)CCC[C@H]2NC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1,C38872627_decoy,GCR,Decoy,0,-6.95127,-3.2,-3.2,-3.20386403381322
CCc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cc(Cl)c(OC)c(Cl)c3)CC23CC[NH2+]CC3)cc1,C39654571_decoy,GCR,Decoy,0,-6.32124,-4.23,-1.85,-3.4223449691832
C[C@@H](CNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC12CC[NH2+]CC2)Oc1ccccc1Cl,C39666329_decoy,GCR,Decoy,0,-6.45423,-3.07,-0.98,-3.2046103543904896
O=C(NCCOc1ccccc1Cl)[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,C39681375_decoy,GCR,Decoy,0,-10.3008,-3.72,-3.67,-4.763038681391146
CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(C(=O)c3cccnc3Sc3ccccc3)CC23CC[NH2+]CC3)cc1,C39696186_decoy,GCR,Decoy,0,-9.30495,-3.48,-2.36,-4.261776118389228
CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(C(=O)c3cccnc3Oc3ccc(C)cc3)CC23CC[NH2+]CC3)cc1,C39696192_decoy,GCR,Decoy,0,-6.45622,-3.7,-2.54,-3.39228033205824
CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3cc(Cl)c(OC)c(Cl)c3)CC23CC[NH2+]CC3)cc1,C39696251_decoy,GCR,Decoy,0,-7.66578,-3.99,-3.93,-3.97993930731137
CCc1ccc([C@H](C)NC(=O)[C@H]2CN(C(=O)c3cc(Cl)c(OC)c(Cl)c3)CC23CC[NH2+]CC3)cc1,C39696253_decoy,GCR,Decoy,0,-11.6542,-3.01,,99.0
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2,C40988783_decoy,GCR,Decoy,0,-12.89,-3.94,-2.4,-5.944597785564548
Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]4(C(=O)Nc5c(C)cc(Cl)cc54)[C@H]3C2=O)c(Br)c1,C02241427_decoy,GCR,Decoy,0,-8.09209,-5.22,-0.55,-3.459682471360423
CC[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)o1,C09211144_decoy,GCR,Decoy,0,-6.88836,-8.25,-3.72,-5.175025404700884
Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1,C09211148_decoy,GCR,Decoy,0,-10.4706,-4.76,-2.39,-4.356693766539466
CCC1=NN2C(=[NH2+])/C(=C/c3cn(CCOc4ccc(C5CCCCC5)cc4)c4ccccc34)C(=O)N=C2S1,C33148387_decoy,GCR,Decoy,0,-8.1078,-3.34,-1.82,-3.384882605792125
Cc1cccc(C)c1OCCn1cc(/C=C2/C(=[NH2+])N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc21,C13942734_decoy,GCR,Decoy,0,-8.49201,-0.09,-2.83,-3.3033578581179714
[NH2+]=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3ccccc3Cl)=NN12,C19798495_decoy,GCR,Decoy,0,-11.6401,0.54,-3.67,-4.493045727524968
CCOc1ccccc1Oc1c(C)oc2c(C[NH+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc2c1=O,C41584821_decoy,GCR,Decoy,0,-7.42993,-4.11,-4.41,-3.7172787360034687
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CC(C)(C)CC2=O,C63273811_decoy,GCR,Decoy,0,-7.20891,-7.3,-3.57,-5.20036543101577
O=C(NCc1ccco1)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C1=O,C63375302_decoy,GCR,Decoy,0,-5.17694,-3.66,-2.52,-2.9072090587183816
COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccccc3C)N2C1=O,C63375511_decoy,GCR,Decoy,0,-5.79698,-1.79,-5.07,-2.621712349558774
COCCCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(C)cc3)N2C1=O,C63375613_decoy,GCR,Decoy,0,-5.98472,-2.88,-4.13,-2.660813915162832
CC(C)CCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(F)cc3)N2C1=O,C63375838_decoy,GCR,Decoy,0,-4.87839,-4.08,-2.39,-2.7011781012995666
COc1ccc(C2=N[C@@H]3C(C(=O)NCCC4=c5cc(Cl)ccc5=[NH+]C4)=CNN3C(C(F)(F)F)=C2)cc1,C63546966_decoy,GCR,Decoy,0,-12.4651,-3.9,-4.32,-5.187297248889426
O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccs1,C64343328_decoy,GCR,Decoy,0,-7.10877,-5.03,-4.46,-4.318688594268287
O=c1oc2c(C[NH+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc2cc1-c1nc2ccccc2s1,C04482555_decoy,GCR,Decoy,0,-8.50621,-5.4,-3.12,-4.026973554807974
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C09159905_decoy,GCR,Decoy,0,-9.31255,-3.73,-1.81,-3.506849809480181
COc1ccc(Cl)cc1NC(=O)c1sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c2c1C,C02911843_decoy,GCR,Decoy,0,-7.73658,-3.91,-1.57,-3.455012313290136
CC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1,C09836190_decoy,GCR,Decoy,0,-10.3613,-4.28,-2.54,-4.997595650285647
O[C@H]1CCC[NH+](Cn2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(F)c(Cl)c3)c2=S)C1,C03277879_decoy,GCR,Decoy,0,-7.65873,-4.27,-1.89,-3.434170246480684
Cc1ccc(C)c(N2CC[NH+]([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)c1,C06195622_decoy,GCR,Decoy,0,-7.57787,-4.21,-3.06,-3.723202853664328
O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@H](n2cncn2)C(O)=C1[C@H]1[NH2+]CCc2ccccc21,C08855421_decoy,GCR,Decoy,0,-8.87296,4.41,-2.51,-1.784840844296214
C[NH+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1,C02343108_decoy,GCR,Decoy,0,-9.46461,-3.84,-4.81,-3.9856288273511775
Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)c(Br)c1,C09013942_decoy,GCR,Decoy,0,-11.3235,-3.29,-0.29,-3.900641534128943
O=S(=O)(OCC/[NH+]=c1\cc2oc3ccccc3nc-2c2c(O)c3ccccc3c(O)c12)c1ccccc1,C22079540_decoy,GCR,Decoy,0,-8.03898,-8.15,-2.19,-4.356081331458581
CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccncc4)n3-c3ccc(C)c(C)c3)cc(O)oc-2c1,C24841532_decoy,GCR,Decoy,0,-10.799,-4.2,-2.82,-4.871095387987506
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C(=O)Nc4c2ccc(C)c4C)[NH+]2CCC[C@@H]32)c(Br)c1,C16000364_decoy,GCR,Decoy,0,-10.0773,-3.5,-0.83,-3.4882092117686434
Cc1sc2nc(C[NH+]3CCC(C)CC3)n(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c2c1C,C32747313_decoy,GCR,Decoy,0,-7.51086,-4.01,-3.92,-3.519122867404945
Cc1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)cc1,C34757172_decoy,GCR,Decoy,0,-7.23174,-4.15,-3.38,-3.550833240424836
CCCC(=O)N1CC[C@@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@@]42CC[NH+]([C@H]6[C@H]2OC2(C)C)[C@@H]13,C35465636_decoy,GCR,Decoy,0,-6.28845,-3.61,-1.85,-2.695277485250679
Cc1nc(N2CCCCC2)c2c([nH+]1)CCN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2,C35829322_decoy,GCR,Decoy,0,-9.61215,-2.92,-1.61,-4.271845849518489
Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)cc1,C35920206_decoy,GCR,Decoy,0,-8.04499,11.21,-2.41,0.9866076242921435
Nc1c2c(-c3cccc(F)c3)nc(N3CCN(c4cccc[nH+]4)CC3)nc2nn1-c1cc(F)ccc1F,C37376865_decoy,GCR,Decoy,0,-11.9343,-2.59,-2.94,-4.206301082646295
Cc1ccc(S(=O)(=O)[C@H]2c3nc4ccccc4nc3N(/N=C/C3=c4ccccc4=[NH+]C3)[C@H]2N)cc1C,C38598545_decoy,GCR,Decoy,0,-10.2434,-3.45,-4.2,-4.140559325365192
O=C(NCC[NH+]1CCN(c2nc3ccccc3s2)CC1)c1cc2c(ccc3ccccc32)oc1=O,C38798977_decoy,GCR,Decoy,0,-8.39769,-3.31,-2.02,-3.6040678075689385
Cc1cccc2sc(N3CC[NH+](CCNC(=O)c4cc5c(ccc6ccccc65)oc4=O)CC3)nc12,C38778234_decoy,GCR,Decoy,0,-7.59539,-7.15,-3.9,-4.41094112978467
CC(C)[NH+]1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NN4C[C@H]5CCC[C@@H]5C4)cc3)ccc1O2,C39226193_decoy,GCR,Decoy,0,-6.64455,-2.52,-5.15,-3.063180827249791
CC(C)[NH+]1CCC2(CC1)CC(=O)c1cc(-c3cccc(C(=O)NN4C[C@H]5CCC[C@H]5C4)c3)ccc1O2,C39226326_decoy,GCR,Decoy,0,-13.1448,-3.14,-5.44,-4.96603158869654
O=C1Nc2c(cc(Br)cc2[N+](=O)[O-])/C1=N\N=C1/CCCC2=c3cc(Cl)ccc3=[NH+][C@H]21,C39276894_decoy,GCR,Decoy,0,-10.4567,-2.97,-1.09,-3.8303975514806137
O=C1Nc2c(cc(Br)cc2[N+](=O)[O-])/C1=N/N=C1\CCCC2=c3cc(Cl)ccc3=[NH+][C@@H]21,C39276897_decoy,GCR,Decoy,0,-9.63598,-4.78,-2.41,-4.320217145214391
O=[P@@]1(c2ccccc2O)N[NH+]2C[C@@H]3C=C(c4ccccc4O)C(Br)=C[C@H]3C[C@H]2CO1,C39467420_decoy,GCR,Decoy,0,-8.76206,-3.54,-0.97,-3.513013633954099
C[C@@H](NC(=O)[C@H]1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2)c1ccc(Br)cc1,C39656960_decoy,GCR,Decoy,0,-10.9966,-3.69,-2.32,-4.574166863830189
Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3ccc(-c4ccccc4F)o3)CC23CC[NH2+]CC3)cc1C,C39673186_decoy,GCR,Decoy,0,-6.61312,-3.27,-4.83,-2.7088750455455743
CCc1ccc([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CC23CC[NH2+]CC3)cc1,C39695883_decoy,GCR,Decoy,0,-7.71338,-2.32,-2.28,-3.320428391857805
CCc1ccc([C@@H](C)NC(=O)[C@H]2CN(C(=O)c3cc(Cl)cc(Cl)c3)CC23CC[NH2+]CC3)cc1,C39695992_decoy,GCR,Decoy,0,-11.7286,-4.96,-3.65,-5.843732582179231
COc1ccc(-c2c3c([nH+]c4sc(C(=O)Nc5ccccc5F)c(N)c24)CCN(C)C3)cc1OC,C40570147_decoy,GCR,Decoy,0,-7.98676,-4.06,-3.64,-3.964238655728383
COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H]3CCC[NH+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O,C02447638_decoy,GCR,Decoy,0,-6.31871,-5.3,-2.47,-3.2907807650100285
Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[NH+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)cc1,C43746427_decoy,GCR,Decoy,0,-5.68163,-3.71,-3.7,-2.329509698591597
CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(C[NH+]3CCCCCC3)c3ccc(Br)cc32)cc1,C06287071_decoy,GCR,Decoy,0,-8.15526,-3.63,-2.87,-3.60642894566384
Cc1c(CC(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3,C20759814_decoy,GCR,Decoy,0,-7.01684,-4.51,-3.25,-3.64823113821824
CC[NH+]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Br)c2OC)N3)C1,C15947404_decoy,GCR,Decoy,0,-13.2945,-2.46,-4.15,-4.524112818222344
Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1,C41585047_decoy,GCR,Decoy,0,-11.2117,-9.23,-2.22,-8.374773913202473
COc1ccc2c(c1)=C1CCN3C(=O)N(c4ccc(C(=O)NC5CCC(C)CC5)cc4)C(=O)[C@]3(C)[C@@H]1[NH+]=2,C63362293_decoy,GCR,Decoy,0,-6.85423,-4.26,-4.67,-3.5109323747955914
C[C@]12C(=O)N(c3ccccc3C(=O)NCCc3ccccc3F)C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12,C63362545_decoy,GCR,Decoy,0,-6.2168,-3.56,-3.2,-3.308324766462937
C=CCNC(=O)c1ccc(N2C(=O)[C@@H]3CC4=c5ccccc5=[NH+][C@H]4[C@H](c4ccc(C)cc4)N3C2=O)cc1,C63375380_decoy,GCR,Decoy,0,-6.55762,-5.5,-1.46,-3.8652733989292978
C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3ccc(F)cc3)N2C1=O,C63376067_decoy,GCR,Decoy,0,-5.59799,-3.31,-3.0,-2.562361967369972
C=CCNC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccc(F)cc3)N2C1=O,C63376069_decoy,GCR,Decoy,0,-11.4966,-3.15,-4.58,-5.124592672630499
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(N[C@@H]3CC3=c4ccccc4=[NH+]C3)C(=O)Nc3c(C)cccc32)cc1,C63479907_decoy,GCR,Decoy,0,-5.56888,-5.94,-2.0,-3.4447942192449905
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(N[C@@H]3CC3=c4ccccc4=[NH+]C3)C(=O)Nc3ccccc32)cc1C,C63480061_decoy,GCR,Decoy,0,-6.99704,-3.03,-3.11,-2.725552548656525
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(N[C@@H]3CC3=c4ccccc4=[NH+]C3)C(=O)Nc3ccccc32)cc1C,C63480063_decoy,GCR,Decoy,0,-6.46542,-4.42,-5.19,-2.793420226150821
Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(N[C@@H]3CC3=c4ccccc4=[NH+]C3)C(=O)Nc3ccc(C)cc32)c1,C63480082_decoy,GCR,Decoy,0,-6.71191,-3.86,-2.54,-3.1619034056927555
COc1ccc2c(c1)CC/C(=C\Nc1ccc(S(=O)(=O)/N=C3\C[NH+]=c4ccccc4=N3)cc1)C2=O,C38931397_decoy,GCR,Decoy,0,-6.13025,-6.16,-3.09,-4.185221350877431
COc1ccc(N2CCN(C(=O)[C@H]3[NH+]=c4ccccc4=C3NC(=O)c3ccc(Cl)cc3)CC2)cc1,C63752682_decoy,GCR,Decoy,0,-6.22317,-3.21,-3.44,-2.88461081458748
CC(=O)c1ccc(N2CCN(C(=O)[C@H]3[NH+]=c4ccc(C)cc4=C3NC(=O)c3ccc(F)cc3)CC2)cc1,C63752811_decoy,GCR,Decoy,0,-6.56318,-1.98,-5.65,-2.8104422570286065
Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3[C@@H]3[NH+]=NC(=S)NC3=O)c3ccccc3C2=O)c(C)c1,C40051555_decoy,GCR,Decoy,0,-10.1487,-5.21,-4.56,-5.075156804047886
O=C(CCc1ccccc1)N[C@H](c1cccs1)c1ccc2cccnc2c1O,C00801028_decoy,GCR,Decoy,0,-9.89061,-6.08,-1.19,-7.877276401379271
Cc1ccc(NCC(=O)N/N=C\C(Br)=C\c2ccccc2)cc1,C04739494_decoy,GCR,Decoy,0,-9.25451,-7.67,-3.15,-6.913888328626428
[H]/N=C1/NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1,C04834932_decoy,GCR,Decoy,0,-10.6501,-9.5,-3.06,-2.8078498539013297
C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1,C04836862_decoy,GCR,Decoy,0,-8.83981,-7.96,-1.47,-8.59741186587069
N#Cc1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N,C04871445_decoy,GCR,Decoy,0,-10.3867,-3.71,-4.23,-5.9239927126746
COc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1,C00824904_decoy,GCR,Decoy,0,-9.24276,-7.97,-1.68,-12.098484277113158
O=C(CCSc1ccc(F)cc1)NNc1nc2c(F)cc(F)cc2s1,C05271798_decoy,GCR,Decoy,0,-9.01967,-7.35,-1.89,-7.63098252230173
Cc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2I)cc1,C06501815_decoy,GCR,Decoy,0,-8.74039,-3.22,-1.85,-4.144485962623237
O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2,C08293452_decoy,GCR,Decoy,0,-9.80533,-8.97,-5.08,-7.848358384858201
C[C@H]1CCc2sc(C(=O)NCC(=O)Nc3ccccc3Br)cc2C1,C08303458_decoy,GCR,Decoy,0,-11.2187,-3.73,-2.82,-4.941688368989842
Oc1c([C@H](Nc2cccc3cccnc23)c2ccccc2)ccc2cccnc12,C08617650_decoy,GCR,Decoy,0,-9.16155,-8.38,-3.36,-8.41380696395712
C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1,C06664301_decoy,GCR,Decoy,0,-8.43427,-7.71,-2.49,-10.76006991780564
O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1I,C13117955_decoy,GCR,Decoy,0,-9.02374,-7.94,-1.7,-8.001637806628237
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2,C14460691_decoy,GCR,Decoy,0,-11.6935,27.77,-4.52,6.6370562661714505
Cc1ccccc1[C@H]1Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21,C14479066_decoy,GCR,Decoy,0,-11.2897,-6.35,-6.02,-7.020476929395791
Cc1ccccc1[C@@H]1Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21,C14479067_decoy,GCR,Decoy,0,-11.2158,-2.38,-3.41,-4.531889614487824
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](CC[C@]21C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@@H]3O,C15049462_decoy,GCR,Decoy,0,-12.732,-3.81,-0.84,-5.720889572161646
O=C(Cc1ccc(Cl)c(Cl)c1)NCC(=O)Nc1ccc(F)c(F)c1F,C16003162_decoy,GCR,Decoy,0,-8.58446,-6.26,-2.09,-5.360775528935441
C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1,C06664303_decoy,GCR,Decoy,0,-8.959,-6.96,-3.28,-6.308454978473186
O=C(CSc1c(Cl)cccc1Cl)NC(=O)NCCc1cccs1,C17143437_decoy,GCR,Decoy,0,-10.0004,-5.41,-2.05,-6.964866068116445
CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(N(CC)CC)cc1)N2,C20697642_decoy,GCR,Decoy,0,-11.3499,-2.72,-4.81,-4.910839637839404
Cc1ccc([C@H](NC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccncc2)cc1C,C19213510_decoy,GCR,Decoy,0,-9.65925,-5.28,-2.95,-5.271434907265088
OC[C@@H](Nc1ccc(Br)cc1)c1cc(Cl)c2c(c1)OCO2,C38118112_decoy,GCR,Decoy,0,-9.82143,-7.5,-0.66,-7.713422205093235
O=C(/C=C/c1cccs1)N[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cccs1,C01100720_decoy,GCR,Decoy,0,-7.53064,-2.8,-4.41,-3.1368086740407537
CCc1ccccc1NC(=O)CSC1=c2cc(C)sc2=N[C@H](C)[NH+]1CC,C38805763_decoy,GCR,Decoy,0,-10.2099,-7.12,-3.15,-10.9493627358157
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1F,C21916909_decoy,GCR,Decoy,0,-8.67607,-4.64,-1.28,-3.9503603727648335
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccccc1F,C39218298_decoy,GCR,Decoy,0,-8.74865,-6.15,-1.79,-4.761082797557098
O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)c1,C00673495_decoy,GCR,Decoy,0,-11.0216,-3.17,-4.44,-4.161325659497004
CCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCc1cccs1,C33920440_decoy,GCR,Decoy,0,-10.395,-3.91,-2.86,-4.881512456710234
C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1,C48778470_decoy,GCR,Decoy,0,-9.82188,-5.53,-1.02,-5.735103465502702
CC#CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NC1CCCC1)C2,C49171706_decoy,GCR,Decoy,0,-10.2194,-2.06,-5.13,-3.946718439636199
CNC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCCCC2,C05055848_decoy,GCR,Decoy,0,-10.1391,-4.93,-4.08,-7.762163128802199
Cc1cc(NC(=O)C(=O)N[C@@H](c2cccs2)C(C)C)ccc1Br,C49300027_decoy,GCR,Decoy,0,-10.6282,-4.95,-2.14,-6.623799440082853
O=C(COc1c(Br)cccc1Br)c1ccc(O)cc1O,C49373549_decoy,GCR,Decoy,0,-10.3855,-3.68,-0.87,-4.659456642487281
Cc1cc(N2CCSCC2)ccc1N[C@@H](C)C(=O)NCc1cccs1,C51186374_decoy,GCR,Decoy,0,-10.9885,-8.25,-3.19,-12.56223815020842
CSc1ccc(CNC(=O)Nc2ccc(N3CCSCC3)cc2C)cc1,C51649015_decoy,GCR,Decoy,0,-11.2958,-2.62,-4.52,-6.399868190254751
COc1ccc([C@H](O)CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1,C54003479_decoy,GCR,Decoy,0,-8.84756,-5.97,-2.12,-5.711162907378265
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCCc1ccc(O)cc1,C57433076_decoy,GCR,Decoy,0,-11.6926,-8.83,-27.67,-9.140294827607391
Cc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(Br)c1,C18117016_decoy,GCR,Decoy,0,-10.6062,-5.84,-0.79,-7.207833028278364
CCC(C)(C)NC(=O)CNC1(c2cccc(Br)c2)CCOCC1,C55055630_decoy,GCR,Decoy,0,-9.51249,-8.48,-3.37,-11.08862059341982
N/C(=N\OC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1)c1ccccc1,C04389984_decoy,GCR,Decoy,0,-8.66235,-8.33,-1.03,-11.157573878017743
COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C64220358_decoy,GCR,Decoy,0,-12.6738,-9.8,-0.8,-17.32249016704889
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C64220359_decoy,GCR,Decoy,0,-12.7869,-2.86,-1.34,-5.052911762137778
C[C@@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1,C25326841_decoy,GCR,Decoy,0,-9.98395,-7.84,-2.15,-9.027774993729368
O=C(NCCCc1nc2c(s1)CCCC2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,C66141175_decoy,GCR,Decoy,0,-9.85658,-6.63,-2.91,-6.799072853413106
CC(C)NC(=O)c1ccc(Cl)c(NC(=O)CCc2cc(F)ccc2F)c1,C66329251_decoy,GCR,Decoy,0,-9.64205,-9.52,-2.71,-8.948790073590091
Cc1ccsc1C(=O)NNC(=O)C(C)(C)c1cccc(Br)c1,C66556561_decoy,GCR,Decoy,0,-9.61158,-8.48,-1.82,-8.159945693041868
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1,C66954022_decoy,GCR,Decoy,0,-9.46205,-8.3,-1.8,-9.434013330596368
C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F,C66954440_decoy,GCR,Decoy,0,-9.26664,-4.68,-3.05,-5.07860467156693
CCc1nc(CCNC(=O)Nc2cc(Br)ccc2Cl)cs1,C67290407_decoy,GCR,Decoy,0,-9.88538,-7.86,-2.39,-7.485682191345581
C[NH+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccccc4)c(=O)c23)C1,C02954975_decoy,GCR,Decoy,0,-12.1371,-6.14,-3.46,-5.9039100036643966
C[C@H](c1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)n1-c1ccc(Cl)cc1)[NH+](C)C,C03376286_decoy,GCR,Decoy,0,-7.97569,-9.55,-3.55,-6.01930468473465
CCc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)nc12,C09400091_decoy,GCR,Decoy,0,-8.2704,-3.05,-1.42,-3.938899882038566
CCc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)sc2c1,C09400568_decoy,GCR,Decoy,0,-10.7388,-3.32,-4.1,-4.863356459372892
O=C(c1ccc(Cl)s1)N(CCC[NH+]1CCOCC1)c1nc2ccc(Br)cc2s1,C09400993_decoy,GCR,Decoy,0,-11.1112,-3.7,-1.95,-5.169410433187678
Cc1ccc(C)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)nc12,C09401259_decoy,GCR,Decoy,0,-7.53504,-3.8,-5.09,-3.9350039561810255
CC[NH+](CC)CCN(C(=O)c1ccc(Br)cc1)c1nc2c(OC)ccc(Cl)c2s1,C09452638_decoy,GCR,Decoy,0,-11.2902,-2.97,-3.87,-5.016514151187427
CC(=O)N(c1nc(C[NH+]2CCC[C@H](c3nc4ccccc4s3)C2)cs1)c1c(C)cc(C)cc1C,C09501953_decoy,GCR,Decoy,0,-10.7806,-2.67,-3.48,-4.324163000483948
Cc1c(Cl)ccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)nc12,C10127667_decoy,GCR,Decoy,0,-10.5635,-3.56,-1.93,-4.542601177224383
O=c1cc(CSc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)c2c(ccc3ccccc32)o1,C10288171_decoy,GCR,Decoy,0,-8.42546,-3.37,-4.51,-3.679537913360998
Cc1cc(C)c(CC(=O)N(CCC[NH+]2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)c(C)c1,C10699973_decoy,GCR,Decoy,0,-8.57993,-3.68,-3.61,-4.189661001451077
CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)C[NH+]1CC1=CC[C@H]2C[C@@H]1C2(C)C,C11997258_decoy,GCR,Decoy,0,-7.34629,-3.42,-3.51,-3.336395173197052
Fc1ccc(C[NH+]2CCOc3c(cc(-c4nc5ccccc5s4)cc3O[C@@H]3CCOC3)C2)cc1F,C12167958_decoy,GCR,Decoy,0,-8.53963,-3.35,-1.76,-3.580493853321174
Cc1ccc(-c2nn(C[NH+]3CCC[C@H]3c3ccc4c(c3)OCCO4)c(=S)n2-c2ccc(C)cc2)cc1,C13070072_decoy,GCR,Decoy,0,-5.82455,-4.24,-3.39,-3.101893752851076
C[NH+](Cc1ccc(Cl)c(Cl)c1)Cn1nc(-c2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1=S,C13071934_decoy,GCR,Decoy,0,-6.63429,-6.96,-1.13,-5.044844022036761
FC(F)(F)c1cc(Oc2nc(C[NH+]3CCCCC3)nc3sc4c(c23)CCC4)cc(C(F)(F)F)c1,C02644187_decoy,GCR,Decoy,0,-8.19378,-4.67,-3.64,-4.060574211364254
CC[NH+]1CCN(c2cc(Cl)nc(SCc3ccc(C(=O)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)cc3)n2)CC1,C16570449_decoy,GCR,Decoy,0,-14.3119,-8.45,-1.47,-9.522625094775336
C[NH+](C)CCOc1ccccc1/C=N\N1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1,C19802154_decoy,GCR,Decoy,0,-9.65574,-2.07,-4.3,-3.7375605855539504
Cc1ccc2c(CSc3nc4sc5c(c4c(=O)n3CCC[NH+](C)C)CCCC5)cc(=O)oc2c1,C21182355_decoy,GCR,Decoy,0,-7.7329,-5.55,-3.86,-5.145266786968073
Cc1cc2oc(=O)cc(CSc3nnc(C[NH+]4CCCC4)n3Cc3ccccc3)c2cc1C(C)C,C22859950_decoy,GCR,Decoy,0,-10.9915,-5.74,-5.33,-6.669834961431024
Cc1ccc(-c2ccc(CCC(=O)N3CCC([NH+]4CCCC4)CC3)n2-c2ccc(CC#N)cc2)c(C)c1,C23448960_decoy,GCR,Decoy,0,-7.32865,-5.35,-2.85,-4.022728339496744
FC(F)(F)c1cccc(N2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c34)CCC5)CC2)c1,C03299303_decoy,GCR,Decoy,0,-8.68494,-3.38,-4.16,-3.2382834723139915
CCSc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34749939_decoy,GCR,Decoy,0,-8.31952,-2.99,-2.62,-3.383442312219321
Cc1ccc(C)c(CSc2nc(N3CC[NH+](CC(=O)N4CCCC4)CC3)c3c4c(sc3n2)CCC4)c1,C34757606_decoy,GCR,Decoy,0,-11.9673,-5.98,-2.95,-8.465753035113867
O=C(CSc1nc(N2CC[NH+](CCCc3ccccc3)CC2)c2c3c(sc2n1)CCC3)N1CCCC1,C34757828_decoy,GCR,Decoy,0,-8.35939,-3.25,-3.5,-4.061321958574568
CCc1c(C)sc2nc(SCc3ccc(Br)cc3)nc(N3CC[NH+](CC)CC3)c12,C34761837_decoy,GCR,Decoy,0,-10.4443,-3.46,-4.49,-4.640217340373474
CCc1c(C)sc2nc(SCc3cc(C)ccc3C)nc(N3CC[NH+](CC(=O)N(C)C)CC3)c12,C34762040_decoy,GCR,Decoy,0,-11.9829,-2.87,-4.34,-4.872655978222251
CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)[NH+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1,C34830414_decoy,GCR,Decoy,0,-11.4158,-2.85,-2.51,-4.661908735552092
Cc1ccc(-n2c([C@H](C)[NH+]3CCN(C(=O)c4ccc5ccccc5c4)[C@H](C)C3)nc3ccccc3c2=O)cc1,C35063923_decoy,GCR,Decoy,0,-5.46843,-4.58,-3.07,-3.4149682247894684
Cc1ccsc1C[NH+]1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n23)C[C@@H]1C,C35890516_decoy,GCR,Decoy,0,-10.3376,-3.23,-3.4,-4.071390985492634
Cc1ccsc1C[NH+]1CCN(c2nc3cc(Cl)ccc3c3nnc(C4CCCCC4)n23)C[C@@H]1C,C35890543_decoy,GCR,Decoy,0,-9.94032,-3.57,-3.04,-4.149631437353762
CC[C@H](C(=O)N1CCN(C(=O)CC[NH+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C)c1ccccc1,C35938594_decoy,GCR,Decoy,0,-11.2979,-3.22,-3.4,-5.140136106858442
CC[NH+](CC)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccc(Br)cc2s1,C36637871_decoy,GCR,Decoy,0,-12.493,-2.52,-1.04,-5.26409654253032
O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(F)cccc2F)CC1,C37587795_decoy,GCR,Decoy,0,-5.5623,-3.74,-3.54,-2.84225634647384
C[C@@H]1CCC[NH+]1CCc1ccc2nc(-c3csc(-c4ccc(OCC(F)(F)F)nc4)n3)ccc2c1,C38211846_decoy,GCR,Decoy,0,-13.3731,10.22,-2.14,-1.3278443459059153
CC[NH+](CC)CCCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1,C38713562_decoy,GCR,Decoy,0,-8.74895,9.61,-3.44,0.4009659350390008
C[NH+](C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccc(Br)cc2s1,C36643340_decoy,GCR,Decoy,0,-12.7409,-2.43,-1.97,-8.088351085814933
COc1ccc(Cl)c2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccc(Cl)cc3Cl)nc12,C38848453_decoy,GCR,Decoy,0,-12.0009,-3.09,-3.57,-5.166253457164504
CCOc1ccc2c(c1)=C[C@@H](CN(Cc1cccs1)S(=O)(=O)c1c(C)cc(C)cc1C)C(=O)[NH+]=2,C39324920_decoy,GCR,Decoy,0,-7.17774,-3.11,-2.54,-3.6397500699423126
O=C(c1ccc(Cc2ccccc2)cc1)N(CCCn1cc[nH+]c1)c1nc2c(Cl)cccc2s1,C39708192_decoy,GCR,Decoy,0,-10.2405,-2.96,-3.24,-4.647707771912579
CC[NH+](CC)CCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(SC)cc2s1,C39714712_decoy,GCR,Decoy,0,-12.8786,-2.89,-7.22,-5.635599826433482
CCC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1Cl,C40148081_decoy,GCR,Decoy,0,-10.1348,-2.73,-1.87,-4.040045610971962
CCC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1Cl,C40148083_decoy,GCR,Decoy,0,-9.70388,-3.65,-2.35,-4.1590662874024105
CSc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2c1,C38846141_decoy,GCR,Decoy,0,-8.68851,-3.43,-2.39,-6.136427460335142
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[NH+]3CCC(C4=NN=C(c5ccncc5)C4)CC3)cc2)cc1,C52637362_decoy,GCR,Decoy,0,-6.17322,-4.49,-2.47,-3.339033552242173
CC(C)CCN1CC(=O)N2C[C@H](c3ccc(Br)cc3)C3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O,C63372137_decoy,GCR,Decoy,0,-6.15361,-3.08,-3.14,-2.570862941087122
CC(C)CCN1CC(=O)N2C[C@@H](c3ccc(Br)cc3)C3=c4ccccc4=[NH+][C@@H]3[C@@]2(C)C1=O,C63372139_decoy,GCR,Decoy,0,-11.6284,-2.85,-2.23,-4.68775509732533
CCc1ccc([C@@H]2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63373883_decoy,GCR,Decoy,0,-10.929,-2.32,-0.74,-4.067277618351652
CCc1ccc([C@H]2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63373885_decoy,GCR,Decoy,0,-7.7586,-5.04,-5.61,-4.386267935257503
CCOc1cccc(CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(Cl)cc2)c1OCC,C63697896_decoy,GCR,Decoy,0,-11.1176,-4.04,-2.19,-5.487750728849365
Cc1cc(C)c(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)c(C)c1,C02709660_decoy,GCR,Decoy,0,-8.11351,-6.94,-1.3,-6.07897649338292
Cc1ccc(NC(=S)N(CC[NH+]2CCCCCC2)Cc2ccco2)cc1Cl,C03662331_decoy,GCR,Decoy,0,-10.5865,-8.17,-1.86,-12.285043452748925
Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCc3ccccc3C2)cc1,C05098796_decoy,GCR,Decoy,0,-10.2304,-5.05,-4.15,-5.069225055227374
Cc1cc2c(n1-c1ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@H](C)C3)cc1)CCCC2,C06877898_decoy,GCR,Decoy,0,-10.8185,-7.23,-4.12,-6.959434877637343
O=C(C[NH+](Cc1ccco1)Cc1cccs1)Nc1cccc(Cl)c1Cl,C07580487_decoy,GCR,Decoy,0,-10.8483,-7.52,-3.7,-10.055130409824214
Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)Cc2nc3ccccc3s2)cc1,C07689404_decoy,GCR,Decoy,0,-9.5959,-3.57,-4.84,-4.2836882643512375
O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccsc1)[NH+]1CCCCCC1,C08863176_decoy,GCR,Decoy,0,-10.6108,-7.01,-2.65,-12.669143536283451
C[C@H]1C[C@H]1c1ccc(C[NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)o1,C11503028_decoy,GCR,Decoy,0,-9.53056,-9.1,-3.18,-9.472100293277558
O=C(CCc1ccccc1)NC[C@@H]1CCC[NH+](Cc2ccc(-c3ccco3)cc2)C1,C11874868_decoy,GCR,Decoy,0,-10.258,-7.9,-2.72,-8.735296620711804
O[C@H](CCc1ccccc1)c1ccc2c(c1)C[NH+](Cc1cccc3ncccc13)CCO2,C11968681_decoy,GCR,Decoy,0,-11.3296,-10.09,-2.2,-15.316528981531883
O=C(CC[C@H]1CCC[NH+](Cc2ccc3cc(Cl)ccc3n2)C1)Nc1ccccc1F,C12304626_decoy,GCR,Decoy,0,-9.95452,-9.42,-2.36,-7.985112651462289
Cc1ccc(C)c(-n2cc(C[NH2+][C@@H](C)c3csc(C)n3)c(-c3ccccc3)n2)c1,C14980898_decoy,GCR,Decoy,0,-9.3162,-8.02,-5.33,-8.490328885456941
COCCN(Cc1cc2ccccc2[nH]1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1,C14981352_decoy,GCR,Decoy,0,-6.41626,-3.51,-2.95,-3.1501939158555
OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[NH+]1CCCc1ccccc1,C20781162_decoy,GCR,Decoy,0,-11.1724,-9.32,-1.8,-9.30826126016588
COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)c(C)c3)o2)cc1OC,C20875774_decoy,GCR,Decoy,0,-8.86231,-6.21,-1.14,-9.875846966787304
COc1ccccc1[C@H](CNC(=O)c1sc2ccccc2c1Cl)[NH+]1CCCC1,C22679932_decoy,GCR,Decoy,0,-10.2617,-9.21,-2.41,-9.961397311467008
Cc1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,C23473185_decoy,GCR,Decoy,0,-9.4309,-9.71,-3.34,-9.85195996143918
CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1,C27581496_decoy,GCR,Decoy,0,-10.0446,-5.85,-1.62,-6.974757335584087
Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+]2CCCCCC2)cc1,C27584472_decoy,GCR,Decoy,0,-10.0774,-7.82,-1.87,-9.558681459392094
O[C@H](Cn1c(Cc2cccc3ccccc23)nc2ccccc21)C[NH+]1CCCCC1,C27696639_decoy,GCR,Decoy,0,-10.0126,-9.07,-3.01,-9.029383008922249
O=C(Cc1ccc(Br)cc1)Nc1ccc(OCC[NH+]2CCCCC2)cc1,C27918669_decoy,GCR,Decoy,0,-9.93863,-5.12,-1.1,-6.853602378161862
CCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)cc1,C28288663_decoy,GCR,Decoy,0,-9.61314,-2.39,-2.85,-3.766370158569618
C=CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1,C30940728_decoy,GCR,Decoy,0,-9.61096,-9.35,-4.9,-12.310486277291128
CC(C)C[NH2+]CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1,C36094598_decoy,GCR,Decoy,0,-10.6325,-6.56,-2.94,-11.83599297688926
Cc1cc(OC[C@H]2c3ccsc3CCN2C(=O)C[NH2+]C(C)(C)C)ccc1Cl,C36094712_decoy,GCR,Decoy,0,-10.9195,-5.72,-1.45,-5.603417771457029
CC[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1I,C38133833_decoy,GCR,Decoy,0,-8.35698,-7.33,-0.51,-11.488484444157825
CCCC[NH+](/C=C1/N=C2c3ccccc3CC3(CCCC3)[C@H]2C(=O)N1)CCCC,C39700742_decoy,GCR,Decoy,0,-9.1997,-4.73,-3.37,-5.039588594501313
Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[NH+](Cc3cccc4ccccc34)C2)cc1,C44853041_decoy,GCR,Decoy,0,-6.97602,-10.01,-3.67,-6.516721543464122
Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1,C44876638_decoy,GCR,Decoy,0,-10.1267,-6.89,-4.95,-6.193477203669455
CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1,C44877082_decoy,GCR,Decoy,0,-10.2043,-6.22,-3.72,-6.802885650764431
CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[NH+](Cc3cccc4ccccc34)C2)cc1,C44933954_decoy,GCR,Decoy,0,-10.068,-3.03,-2.58,-4.475010528861699
Oc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[NH+](C3CCCCC3)C2)cc1Cl,C15075215_decoy,GCR,Decoy,0,-11.0447,-9.38,-2.08,-11.64832450979836
CC(C)c1ccc([C@H](NCc2cc(=O)n3ccsc3[nH+]2)c2cccs2)cc1,C15362339_decoy,GCR,Decoy,0,-10.6787,-8.36,-2.47,-12.572142347758092
C[C@H]1C[C@@H]1c1ccc(C[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)C2CC2)o1,C30150944_decoy,GCR,Decoy,0,-9.99129,-7.57,-5.16,-9.450377121083168
CC[NH+]1CCN(CCCNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)CC1,C59922950_decoy,GCR,Decoy,0,-10.9819,-6.01,-3.23,-6.451460708358847
C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1,C60167539_decoy,GCR,Decoy,0,-10.7856,-6.14,-0.91,-7.3624522616658545
O=C(CCOc1ccccc1)NC[C@@H](C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,C63234707_decoy,GCR,Decoy,0,-9.72791,-3.09,-1.82,-4.48172574586431
O=S(=O)(Cc1ccccc1)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1,C63399688_decoy,GCR,Decoy,0,-9.29738,-10.02,-1.55,-10.221334570924672
COc1ccc2c(c1)=[NH+][C@@H](C(=O)NCc1ccc(C)cc1)C=2Sc1ccc(C)cc1,C63531173_decoy,GCR,Decoy,0,-10.1674,-2.21,-1.57,-3.92076602699001
C[C@H]1[NH+]=c2ccccc2=C1SCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1,C63654824_decoy,GCR,Decoy,0,-8.56504,-7.83,-2.39,-8.273876376601356
Cc1ccc(C)c(NC(=S)N(CCC2=c3ccccc3=[NH+][C@@H]2C)Cc2cccnc2)c1,C63654980_decoy,GCR,Decoy,0,-8.73334,-10.12,-5.74,-11.847978853949144
Cc1ccc(NC(=S)N(CCC2=c3ccccc3=[NH+][C@H]2C)Cc2cccnc2)c(C)c1,C63654983_decoy,GCR,Decoy,0,-8.87409,-9.24,-4.17,-9.185339567746103
Cc1ccc2c(c1)=C(CCN(Cc1cccnc1)C(=S)NC1CCCCC1)[C@@H](C)[NH+]=2,C63655082_decoy,GCR,Decoy,0,-11.8156,-9.2,-2.8,-11.307858671874426
C[C@H]1[NH+]=c2ccc(Cl)cc2=C1CCN(Cc1ccco1)C(=S)Nc1ccccc1,C63658898_decoy,GCR,Decoy,0,-8.78775,-9.05,-1.68,-12.504088454841344
Cc1ccc(NC(=S)N(CCC2=c3ccccc3=[NH+][C@H]2C)Cc2ccccn2)c(C)c1,C63658991_decoy,GCR,Decoy,0,-10.3437,-9.61,-4.95,-10.399991184522772
Cc1ccc(C)c(NC(=S)N(CCC2=c3ccccc3=[NH+][C@H]2C)Cc2ccco2)c1,C63659055_decoy,GCR,Decoy,0,-8.63062,-9.28,-3.5,-13.6589548290274
COc1ccc(C(=O)NCCSC2=c3ccccc3=[NH+][C@@H]2c2ccc(F)cc2)cc1,C63755475_decoy,GCR,Decoy,0,-9.78711,-5.48,-1.4,-6.832301375491709
O=C(NC[C@H](C1=c2ccccc2=[NH+][C@@H]1c1ccccc1)c1ccccc1)[C@@H]1CCCO1,C64215459_decoy,GCR,Decoy,0,-10.0232,-4.79,-1.27,-5.217620527215391
O=C(NC[C@@H](C1=c2ccccc2=[NH+][C@@H]1c1ccccc1)c1ccccc1)[C@@H]1CCCO1,C64215462_decoy,GCR,Decoy,0,-8.49803,-4.05,-3.97,-4.491539146482996
C[C@@H]1CCCC[NH+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21,C64657755_decoy,GCR,Decoy,0,-11.9123,-2.75,-3.16,-4.998926400976105
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCC2)cc1,C05098026_decoy,GCR,Decoy,0,-10.278,-2.13,-3.65,-5.225589689327016
COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)[NH+]2CCCCC2)cc1,C05512451_decoy,GCR,Decoy,0,-10.0639,-4.57,-2.34,-5.392857016953454
O=S(=O)(Cc1ccccc1Cl)NC[C@H](c1ccsc1)[NH+]1CCCCCC1,C08901803_decoy,GCR,Decoy,0,-10.5702,-7.8,-2.56,-12.302427052275998
CSc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(-c3cccs3)nc2c1,C11912848_decoy,GCR,Decoy,0,-10.0726,-2.59,-4.38,-4.103659939595253
O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[NH+](Cc2ccccc2F)C1,C12583653_decoy,GCR,Decoy,0,-11.1399,-4.04,-2.73,-4.87009413273042
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1,C13040895_decoy,GCR,Decoy,0,-11.3608,-8.96,-4.42,-12.866004350738946
Brc1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)c(Br)c1,C13730772_decoy,GCR,Decoy,0,-10.7342,-7.74,-4.27,-9.26641995429106
Cc1ccccc1OCC[NH+](C)CCC(=O)Nc1ccc(Br)cc1F,C14079514_decoy,GCR,Decoy,0,-8.50256,-5.75,-1.47,-7.824593209234984
C=CC[NH2+][C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1,C14996282_decoy,GCR,Decoy,0,-10.9023,-4.12,-4.83,-4.986167125602079
O=C(Cc1ccccc1)N[C@@H](OC[C@H]1CCC[NH+]2CCCC[C@@H]12)C(Cl)(Cl)Cl,C16041253_decoy,GCR,Decoy,0,-9.56067,-8.93,-3.17,-12.767887842477016
O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1=C(c2ccccc2)SCCO1,C20744674_decoy,GCR,Decoy,0,-11.7794,-3.05,-4.72,-5.075719813729633
C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C21672578_decoy,GCR,Decoy,0,-8.55256,-5.31,-2.51,-9.051476140749353
COCc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)sc2cccc(F)c12,C21961749_decoy,GCR,Decoy,0,-8.56876,-3.61,-2.44,-4.41415659009576
CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(F)c(F)c3)c(C)c2)CC1,C23793397_decoy,GCR,Decoy,0,-11.8384,-4.56,-2.69,-8.398608851178526
S=c1[nH]c(-c2ccc(Br)cc2)nn1C[NH+](Cc1cccs1)C1CC1,C26637315_decoy,GCR,Decoy,0,-10.9687,-1.7,-2.76,-4.15550297901209
C[C@H](C(=O)N[C@H](C)c1cccc2ccccc12)[NH+](C)Cc1nc2ccccc2s1,C27405519_decoy,GCR,Decoy,0,-9.0535,-9.34,-2.06,-11.929093527720672
C[NH+]1CCN([C@@H](CNC(=O)Cc2cccc3ccccc23)c2ccc(Cl)cc2)CC1,C27793786_decoy,GCR,Decoy,0,-8.46536,-3.62,-3.6,-3.818832799843841
O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1SCc1cscn1,C30799027_decoy,GCR,Decoy,0,-11.3667,-7.34,-3.66,-9.734993401743475
O[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)Cn1c2c(c3ccccc31)CCCC2,C19757971_decoy,GCR,Decoy,0,-10.4416,-4.35,-1.42,-4.856458774105684
CCc1ccc([C@H](CNC(=O)Cc2csc(-c3ccsc3)n2)[NH+](C)C)cc1,C32733930_decoy,GCR,Decoy,0,-10.9407,-9.07,-1.25,-10.152065496949255
O=C(/C=C/c1ccc2ccccc2n1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1,C33028442_decoy,GCR,Decoy,0,-10.2671,-4.98,-2.0,-5.264369936819816
CCC[NH2+]Cc1c(Oc2ccccc2I)nc2sccn12,C35454732_decoy,GCR,Decoy,0,-9.05168,-7.01,-4.67,-9.095319431098549
Cc1cc(OC[C@@H]2c3ccsc3CCN2C(=O)C[NH2+]CC(C)C)ccc1Cl,C36094701_decoy,GCR,Decoy,0,-10.4192,-7.89,-2.91,-10.620670398549231
Cc1cc(OC[C@H]2c3ccsc3CCN2C(=O)C[NH2+]CC(C)C)ccc1Cl,C36094702_decoy,GCR,Decoy,0,-10.712,-8.01,-2.98,-9.696348459695788
CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](C(=O)OC)C(C)C,C37257013_decoy,GCR,Decoy,0,-9.78976,-6.31,-3.98,-10.25622866438275
CC[C@@H](C)[C@H]([NH2+]Cc1cc(Br)cc(Br)c1OC)C(=O)OC,C37313006_decoy,GCR,Decoy,0,-10.0509,-6.63,-4.85,-9.48118460600375
C[NH+]1CCN([C@H](CNC(=O)C2(c3cccs3)CCCC2)c2ccc(F)cc2)CC1,C38630998_decoy,GCR,Decoy,0,-10.8125,-3.48,-2.06,-4.82865781123365
CC(C)Sc1ccc(CC(=O)NC[C@@H](c2cccn2C)[NH+]2CCCCCC2)cc1,C38677466_decoy,GCR,Decoy,0,-11.1374,-6.53,-2.29,-12.524600131815212
Cc1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c(-c2ccccc2)s1,C40327157_decoy,GCR,Decoy,0,-9.896,-5.32,-0.9,-5.553351367054364
O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1ccccc1F,C40416124_decoy,GCR,Decoy,0,-10.1628,-4.47,-3.61,-4.983158302132714
O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1cc(Cl)ccc1Cl,C43954024_decoy,GCR,Decoy,0,-10.7708,-5.03,-4.99,-6.091613279276207
O=C(NCCCOC1CCCC1)[C@@H]1CCC[NH+](Cc2c(Cl)cccc2Cl)C1,C44851236_decoy,GCR,Decoy,0,-10.669,-6.49,-3.86,-6.888493700553298
O=C(NCCCOC1CCCC1)[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,C44851244_decoy,GCR,Decoy,0,-10.0981,-4.73,-2.48,-5.128372624169649
CN(CCNC(=O)[C@H]1CCC[NH+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1,C44916716_decoy,GCR,Decoy,0,-10.1841,-6.9,-2.8,-7.15267482392937
CN(CCNC(=O)[C@H]1CCC[NH+](Cc2c(F)cccc2Cl)C1)c1ccccc1,C44916769_decoy,GCR,Decoy,0,-9.21397,-9.11,-1.95,-12.279313187723794
CN(CCNC(=O)C1CC[NH+](Cc2cccc3ccccc23)CC1)c1ccccc1,C44916863_decoy,GCR,Decoy,0,-8.99596,-7.25,-5.38,-6.452509400757414
CC[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccc(Cl)c(Cl)c2)C1)c1ccc(OC)cc1,C44936146_decoy,GCR,Decoy,0,-11.0401,-4.8,-4.34,-5.660034272888159
O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C1(c2cccs2)CCCCC1,C49512530_decoy,GCR,Decoy,0,-10.3834,-5.67,-2.88,-5.946304414291997
CSc1ccccc1C[NH+]1CCC(CNC(=O)c2ccc(OC(C)C)cc2)CC1,C49523414_decoy,GCR,Decoy,0,-10.6414,-5.53,-1.78,-6.342315137238292
C[NH+](C)CCOc1cccc(NCc2cc(Br)c(Br)o2)c1,C50360094_decoy,GCR,Decoy,0,-9.74692,-6.99,-1.78,-10.743860249059557
COc1ccc([C@@H](NC(=O)C[NH+](C)Cc2csc(Br)c2)C(C)C)cc1,C60040686_decoy,GCR,Decoy,0,-10.6743,-5.66,-25.63,-8.40439257360919
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1,C60220678_decoy,GCR,Decoy,0,-10.8822,-4.5,-2.31,-5.055144069022323
Cc1csc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)n1,C42202836_decoy,GCR,Decoy,0,-11.1152,-7.97,-3.66,-8.971449394344512
Cc1cccc(NC(=S)N(CCC2=c3cc(F)ccc3=[NH+][C@@H]2C)Cc2ccncc2)c1,C63655216_decoy,GCR,Decoy,0,-10.785,-9.58,-5.14,-11.534299931284565
C[C@H]1[NH+]=c2ccc(F)cc2=C1CCN(Cc1ccccn1)C(=S)Nc1cccc(F)c1,C63658687_decoy,GCR,Decoy,0,-10.5873,-4.89,-3.37,-5.546490375096572
C[C@H]1[NH+]=c2ccccc2=C1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1,C63659072_decoy,GCR,Decoy,0,-10.1139,-7.99,-2.98,-8.817866017261048
O=C(CN1CCC2=C(CCS2)[C@@H]1c1ccccc1)NCCC1=c2ccccc2=[NH+]C1,C63830775_decoy,GCR,Decoy,0,-10.6261,-4.85,-1.4,-5.2395619588349165
OCCOc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(F)cc2)cc1,C64166743_decoy,GCR,Decoy,0,-10.2389,-3.55,-3.02,-4.5755730774094765
CCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1,C65592856_decoy,GCR,Decoy,0,-9.01687,-7.92,-4.18,-11.464684994781429
CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)N1CC[NH+](C)CC1,C66393587_decoy,GCR,Decoy,0,-8.30997,-6.39,-4.52,-5.98670464012623
C[C@@H]1C/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)[O-])c2C1,C05938472_decoy,GCR,Decoy,0,-7.73637,-2.98,-0.35,-3.4826734954263925
N#C/C(=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)c1cccc(Br)c1,C02970675_decoy,GCR,Decoy,0,-10.904,-10.38,-3.23,-8.420776889638223
N#C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1,C09334924_decoy,GCR,Decoy,0,-9.49965,-5.53,-2.2,-6.285010678467365
O=C([O-])c1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)sc2c1,C12376069_decoy,GCR,Decoy,0,-10.1752,-4.21,-4.94,-4.363905921697633
O=C([O-])Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nc1-c1cccs1,C12644482_decoy,GCR,Decoy,0,-12.0218,-4.2,-5.78,-5.414085708105149
CC(C)Cn1c(SCc2csc(-c3ccccc3)n2)nc2cc(C(=O)[O-])ccc2c1=O,C13048858_decoy,GCR,Decoy,0,-9.48816,-4.24,-2.02,-4.670165187020239
O=C([O-])c1cc(S(=O)(=O)Oc2ccc3oc4c(c3c2)CCCC4)c(Cl)cc1Cl,C13071522_decoy,GCR,Decoy,0,-10.0941,-4.63,-2.86,-4.539514906678448
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4s3)cc2)cc1,C13071807_decoy,GCR,Decoy,0,-10.5924,13.33,-2.7,1.0517912300106949
O=C([O-])c1ccc2c(c1)nc(/C=C/c1ccc(Cl)cc1Cl)n2-c1ccccc1,C06402965_decoy,GCR,Decoy,0,-5.97748,-3.83,-2.17,-2.7474118725322985
O=C([O-])/C=C/c1ccc(S(=O)(=O)Oc2ccccc2-c2nc3ccccc3s2)cc1,C13088385_decoy,GCR,Decoy,0,-9.58491,0.72,-4.13,-3.8665997826879495
O=C([O-])/C=C/c1ccc(Oc2ccc3cc(Br)ccc3c2)c([N+](=O)[O-])c1,C13211065_decoy,GCR,Decoy,0,-8.51208,-4.32,-1.88,-3.992440287829256
O=C([O-])c1oc2ccccc2c1CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1,C13395571_decoy,GCR,Decoy,0,-10.1704,-5.64,,99.0
C=CCn1c(SCc2c(C(=O)[O-])oc3ccccc23)nnc1-c1ccc(Cl)cc1,C13395916_decoy,GCR,Decoy,0,-8.80356,-5.05,-2.59,-5.206862365163939
Cc1cccc(C)c1-n1nnnc1SCc1c(C(=O)[O-])sc2cccc(F)c12,C13399882_decoy,GCR,Decoy,0,-9.07197,-3.77,-1.83,-4.279654275911343
O=C([O-])c1sc2cccc(F)c2c1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1,C13414606_decoy,GCR,Decoy,0,-11.3377,-9.15,-6.6,-9.86701666670032
CCn1c(SCc2c(C(=O)[O-])oc3ccccc23)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C13417310_decoy,GCR,Decoy,0,-6.01105,-4.73,-3.84,-3.078895340416061
COc1c(Cl)cc(Cl)cc1/C=C1\S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O,C13713998_decoy,GCR,Decoy,0,-11.0332,-3.28,-2.49,-4.353820563736512
C=CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1C(=O)[O-],C16928670_decoy,GCR,Decoy,0,-8.69489,-9.34,-3.71,-8.471131855948762
CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)S/C1=N\c1ccc(C(=O)[O-])cc1,C16932173_decoy,GCR,Decoy,0,-8.2189,-7.38,-1.1,-6.14089498694463
Cc1ccc2sc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])cc3)nc2c1,C03113049_decoy,GCR,Decoy,0,-11.7018,-8.47,-0.96,-7.769851304466325
[O-]c1nc(SCc2ccc(Cl)cc2Cl)nnc1Cc1ccc(Cl)cc1,C22854703_decoy,GCR,Decoy,0,-9.52926,-9.23,-0.74,-14.374019285143689
CCCCOc1ccc(-c2nc3c4c5c(sc4nc([O-])n3n2)C[C@H](C)CC5)cc1,C27516949_decoy,GCR,Decoy,0,-10.1767,-2.72,-4.23,-4.38656589228069
Cc1ccc2c(Cl)c(/C([O-])=N/c3nc(-c4ccc(Br)o4)ns3)sc2c1,C28405290_decoy,GCR,Decoy,0,-11.3992,-3.47,-3.58,-4.353232102203648
CCn1c2ccccc2c2cc(/C=N/n3c([S-])nnc3-c3ccc(Cl)cc3)ccc21,C02199147_decoy,GCR,Decoy,0,-6.40803,-3.81,-1.88,-3.1342461196559186
CSc1nc([O-])cc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1,C03440041_decoy,GCR,Decoy,0,-9.26684,-5.35,-4.98,-5.0272917981678775
Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,C34921032_decoy,GCR,Decoy,0,-8.18531,-5.85,-2.71,-3.610573835182051
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccco2)c1,C34955070_decoy,GCR,Decoy,0,-10.5208,-3.5,-4.0,-4.494775748835294
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc([O-])c2cc(Cl)ccc2n1,C35518903_decoy,GCR,Decoy,0,-12.1205,-4.74,-4.43,-4.9507317299540565
CCOc1c(Cl)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1Cl,C35656600_decoy,GCR,Decoy,0,-11.4107,-3.69,-2.59,-4.94075110391833
CCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)[O-])cc2)n1,C36024954_decoy,GCR,Decoy,0,-10.2041,21.96,-2.08,4.445997128886739
Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)[O-])cc2)n1,C36025014_decoy,GCR,Decoy,0,-8.74356,-4.25,-1.43,-4.249895245504188
O=C([O-])c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1,C02161179_decoy,GCR,Decoy,0,-8.0078,-8.79,-2.12,-7.872854420430196
Cc1ccc(Cn2c([O-])c(C(=O)c3oc4cc(C)ccc4c3C)c(C)c(C#N)c2=O)cc1,C38624449_decoy,GCR,Decoy,0,-7.31487,-4.15,-3.11,-3.4877123006673023
O=[N+]([O-])c1cc2oc3c(c2c(/C=N\c2ccc(Br)cc2)c1[O-])CCCC3,C39314586_decoy,GCR,Decoy,0,-8.01226,-4.41,-3.05,-3.88552775263521
Cc1ccc(-n2c([O-])nc3c(oc4nc(-c5ccccc5)cc(-c5ccccc5)c43)c2=O)cc1,C08636642_decoy,GCR,Decoy,0,-6.97607,-4.56,-6.23,-3.4509737713335364
C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1cccc(C(=O)[O-])c1,C39866708_decoy,GCR,Decoy,0,-9.05395,-5.03,-4.61,-4.615565424261484
CC(C)Cc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)s1,C39998124_decoy,GCR,Decoy,0,-12.4325,-6.56,-5.82,-7.046829942467932
N#CC(=C\c1ccc(-c2ccc(F)cc2)o1)/C([O-])=N/c1nnc(SCc2ccccc2)s1,C39998193_decoy,GCR,Decoy,0,-11.8088,-3.6,-4.69,-4.796066273216204
CC[C@H](C)n1c([O-])c(C(=O)c2oc3cc(C)c(Cl)cc3c2C)c(C)c(C#N)c1=O,C40522644_decoy,GCR,Decoy,0,-9.86392,-1.46,-5.24,-5.322758319307347
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1,C08856639_decoy,GCR,Decoy,0,-11.959,-3.42,-3.79,-4.5053998532366615
CC[C@H](C)c1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3Cc3ccc(C)cc3)C2=O)cc1,C08769860_decoy1,GCR,Decoy,0,-9.51132,-3.07,,-5.415575159941593
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4cccc([N+](=O)[O-])c4)nc([O-])c23)cc1,C57457814_decoy,GCR,Decoy,0,-10.5607,-4.27,-1.75,-4.963143139228176
O=[N+]([O-])c1ccc(S/C(=C\Cl)CSc2nc([O-])c3c4c(sc3n2)CCCC4)cc1,C57505513_decoy,GCR,Decoy,0,-11.1573,-9.5,-1.81,-9.44432663827198
[S-]c1nc2ccc(/N=C/c3ccc(Sc4nc5ccccc5s4)o3)cc2s1,C59386338_decoy,GCR,Decoy,0,-11.9487,-3.35,-1.12,-4.978733527805437
O=C1N=C([N-]c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1,C06457391_decoy,GCR,Decoy,0,-10.7676,-8.53,-0.83,-7.093297353664289
COc1c(Cl)cc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(C)C1=O,C35669288_decoy,GCR,Decoy,0,-10.29,-4.23,-2.49,-4.740098063436302
O=C1N=C([O-])/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1,C59861880_decoy,GCR,Decoy,0,-7.70841,-2.96,-4.59,-2.7022822652441234
Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4C)C(=O)N=C3[O-])o2)ccc1Br,C59862900_decoy,GCR,Decoy,0,-10.6819,-4.86,-3.89,-4.513489061000491
O=C([O-])c1ccccc1Oc1c(Br)cc([N+](=O)[O-])cc1Br,C50441417_decoy,GCR,Decoy,0,-7.83281,-7.38,-1.22,-7.2957545038862035
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccccc3C)C(=O)N=C2[O-])cc1,C02220011_decoy,GCR,Decoy,0,-9.56978,-3.18,-6.08,-4.095030704155416
C=CCn1c(S[C@H](C)C(=O)Nc2c(CC)cccc2CC)nc2scc(-c3ccc(C)cc3)c2c1=O,C08950563_decoy,GCR,Decoy,0,-11.0589,-1.99,-3.37,-6.462793097291589
CCOC(=O)c1c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2,C11667155_decoy,GCR,Decoy,0,-8.02557,-3.13,-4.32,-3.471789149698899
Cc1c(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12,C02108774_decoy,GCR,Decoy,0,-8.69281,-3.45,-3.12,-3.686273189450666
Cc1cc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3sc4c(c23)CC[C@H](C)C4)no1,C12636625_decoy,GCR,Decoy,0,-7.49807,-3.7,-3.02,-3.786991477765416
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)c(Cl)c1Cl,C12643897_decoy,GCR,Decoy,0,-11.3995,-3.46,-3.27,-4.382305223901708
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl,C14278622_decoy,GCR,Decoy,0,-13.2944,-3.69,-1.84,-5.083298671049228
O=C(Nc1nnc(SCc2ccccc2F)s1)c1oc2ccccc2c1CSC1CCCCC1,C03340379_decoy,GCR,Decoy,0,-12.1759,-2.84,-3.25,-5.284640560722804
O=C(Nc1cccc(Cl)c1)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C1CC1,C16569932_decoy,GCR,Decoy,0,-8.08997,-4.3,-3.64,-4.226025167676081
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)N/N=C/c1ccccc1Cl,C02697528_decoy,GCR,Decoy,0,-9.50672,-8.69,-2.41,-5.968600772278503
Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4cc(C)cc(C)c4)S3)[C@H](c3ccc(C)cc3)C2)cc1,C20490865_decoy,GCR,Decoy,0,,-4.84,-5.74,
CCCCOc1ccc([C@@H](C)NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)Sc3ccccc32)cc1,C03056822_decoy,GCR,Decoy,0,-9.98514,-5.44,-3.31,-6.060298723932967
CCOC(=O)c1ccccc1NC(=O)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@H]1c1ccccc1,C21539325_decoy,GCR,Decoy,0,-6.16791,-2.93,-2.4,-3.080459900893891
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1,C21579901_decoy,GCR,Decoy,0,-11.5876,-4.06,-2.34,-4.728778838520829
Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1,C21595445_decoy,GCR,Decoy,0,-7.46169,-4.46,-2.34,-3.7707336802503946
Cc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,C22803942_decoy,GCR,Decoy,0,-7.5966,0.9,-3.31,-1.8107686128612204
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4cccc(C)c4C)S3)[C@H](c3ccc(C)cc3)C2)cc1,C28068255_decoy,GCR,Decoy,0,-7.16664,-4.92,-3.32,-3.886649104667536
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4cccc(C)c4C)S3)[C@@H](c3ccc(C)cc3)C2)cc1,C28068262_decoy,GCR,Decoy,0,-8.68952,-2.86,-2.56,-3.7275183449467217
Cc1cc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)ccc1Cl,C33569255_decoy,GCR,Decoy,0,-9.58473,-4.32,-3.52,-4.734151597074788
CCOC(=O)c1c(NC(=O)COc2cc(C)c(Br)cc2C(C)C)sc2c1CC[C@H](C)C2,C01984157_decoy,GCR,Decoy,0,-12.0909,-3.54,-2.73,-5.147163946243877
CC(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C(C)C)cc1,C33680207_decoy,GCR,Decoy,0,-11.503,-2.74,-3.52,-4.8472962387285605
CC(C)c1ccc([C@H]2c3cccn3CCN2C(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C(C)C)cc1,C33680209_decoy,GCR,Decoy,0,-11.8891,-2.86,-3.14,-5.073411141134689
C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)Nc1ccc(Cl)c(Cl)c1,C33715073_decoy,GCR,Decoy,0,-11.4937,-3.75,-2.25,-5.852161700040707
CC(C)(C)NC(=O)[C@H](c1cc2ccccc2c2ccccc12)N(C(=O)c1ccco1)c1cccc(Cl)c1,C36483609_decoy,GCR,Decoy,0,-11.0658,-5.17,-3.93,-5.900267741118409
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)C(c2ccccc2)c2ccccc2)c(C)c1,C36503543_decoy,GCR,Decoy,0,-5.84712,-2.09,-5.05,-3.0818185355233334
O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)Cc1cccc(Cl)c1Cl)c1ccccc1Cl,C36545554_decoy,GCR,Decoy,0,-11.4308,-6.17,-3.97,-6.351686769182327
Cc1ccc(CN(C(=O)CCC2CCCCC2)[C@@H](C(=O)NC(C)(C)C)c2c(Cl)cccc2Cl)o1,C36557090_decoy,GCR,Decoy,0,-10.2119,-3.1,-2.81,-4.916619852221363
Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2Cl)[C@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)o1,C36597962_decoy,GCR,Decoy,0,-10.6909,-4.15,-3.34,-4.396937394619927
CCC(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1cc2ccccc2c2ccccc12,C36603497_decoy,GCR,Decoy,0,-6.02206,-2.77,-2.1,-2.906940201694197
C#CCn1/c(=N/C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2c3ccccc3ccc21,C36631814_decoy,GCR,Decoy,0,-9.08803,-3.84,-2.25,-3.659422957072003
COc1ccc(C)cc1NC(=O)[C@@]12CC[C@@](C)(/C(=N\OC(=O)c3ccc(Br)cc3)C1)C2(C)C,C38288221_decoy,GCR,Decoy,0,-10.3492,-3.9,-2.36,-5.157198171103977
O=C(/C=C/c1ccco1)Nc1cccc(C(=O)/C=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1,C39850974_decoy,GCR,Decoy,0,-11.7126,-8.61,-3.72,-7.388669706194787
CCc1ccc(N2C(=O)[C@@H](Cc3ccc(C(C)C)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1,C39897287_decoy,GCR,Decoy,0,-10.7427,-5.93,-5.31,-5.714267576895852
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(C)c3)C(=O)N2c2ccc(C(C)C)cc2)cc1,C39897329_decoy,GCR,Decoy,0,-7.79741,-6.3,-3.57,-4.669887938570319
Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1,C39897407_decoy,GCR,Decoy,0,-7.01,-3.78,-2.59,-3.2909719981978114
CC[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4csc5c4CCCCC5)n3C)c2C#N)C1,C39966279_decoy,GCR,Decoy,0,-9.69673,-2.9,-4.97,-5.29859568383176
CCC[C@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccc(SC)cc3)n(-c3ccc(C)cc3)c(=O)c21,C40036431_decoy,GCR,Decoy,0,-5.69956,-1.77,-2.8,-2.200493148129921
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(OCc2ccccc2F)cc1,C40924923_decoy,GCR,Decoy,0,-11.085,-3.78,-2.09,-4.604707402199229
CCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1,C40940453_decoy,GCR,Decoy,0,-12.5493,12.15,-1.42,-0.1409168799300517
Cc1ccc(NC(=O)c2ccc(OC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)c(C)c1,C40948219_decoy,GCR,Decoy,0,-9.6704,-4.52,-4.17,-4.444944167364064
COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Br)c2)sc(C)c1-c1cccc(Cl)c1,C40992011_decoy,GCR,Decoy,0,-10.4785,-5.59,-1.28,-5.760130948928847
O=C(COc1ccc(Br)cc1)Nc1sc2c(c1-c1nc(-c3ccccc3)no1)CCCC2,C40993409_decoy,GCR,Decoy,0,-7.32479,-2.25,-2.35,-3.2870112144432206
CCc1ccc(-c2csc(NC(=O)c3cc4cc(Br)ccc4oc3=O)c2C(=O)OC)cc1,C41013606_decoy,GCR,Decoy,0,-12.4124,-3.36,-3.65,-5.0508081322996
O=C1/C(=C/c2cccc(Cl)c2Cl)S/C(=N/N=C\c2cc(Cl)ccc2O)N1Cc1ccco1,C47139131_decoy,GCR,Decoy,0,-7.20732,-3.06,-3.36,-2.6782535500827307
CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1,C49932085_decoy,GCR,Decoy,0,-6.28914,-5.13,-3.33,-3.738133678203575
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4cccc5ccccc45)nn32)cc1,C22835116_decoy,GCR,Decoy,0,-8.3581,-3.5,-2.56,-3.8177386806933566
CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2Cl)CC1,C22836234_decoy,GCR,Decoy,0,-12.7491,-3.5,-3.35,-5.294511441679621
N#Cc1c(NC(=O)CCCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)sc2c1CCCCC2,C58970742_decoy,GCR,Decoy,0,-11.7341,-8.7,-4.95,-10.004176428450252
C[C@@H]1CCc2c(sc(NC(=O)CCCSc3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2C#N)C1,C58970763_decoy,GCR,Decoy,0,-12.6136,-10.09,-2.17,-9.2075494939321
N#CC(C#N)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O,C59461872_decoy,GCR,Decoy,0,-8.87162,-3.18,-3.95,-3.802715632679399
CCn1cc(/C=C2/Oc3c(CN4CCN(c5cccc(Cl)c5)CC4)c(O)cc(C)c3C2=O)c2ccccc21,C41585274_decoy,GCR,Decoy,0,-8.76976,-3.12,-4.56,-3.678268903873468
C[C@@H]1C[C@@]1([C@H](O)c1ccc(Br)cc1)n1nnc2ccccc21,C05369947_decoy,GCR,Decoy,0,-8.16844,-8.1,-2.41,-7.622990471549421
CCc1ccccc1N(C)C(=O)c1n[nH]c2c1CSc1ccccc1-2,C06748606_decoy,GCR,Decoy,0,-9.07299,-4.16,-5.2,-4.233791401741686
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Br)o1,C00368592_decoy,GCR,Decoy,0,-8.35516,-6.06,-0.71,-6.077363740953
Cn1cc(C(=O)N/N=C/c2ccccc2Br)c2ccccc21,C01305091_decoy,GCR,Decoy,0,-8.75399,-7.06,-2.0,-6.000048647610807
O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1cccnc1,C05813570_decoy,GCR,Decoy,0,-10.1939,-8.72,-0.88,-11.34202456675126
O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(F)cc3)o2)N1C1CC1,C12533027_decoy,GCR,Decoy,0,-8.67606,-9.03,-0.94,-8.369688451226079
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1,C15932543_decoy,GCR,Decoy,0,-8.67296,-9.28,-0.66,-7.551081527957255
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2ccccc2Cl)C1,C16022453_decoy,GCR,Decoy,0,-8.72497,-9.35,-1.43,-12.627279259963077
Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1,C16468813_decoy,GCR,Decoy,0,-9.55112,-4.0,-2.11,-4.3410764528263295
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC(=O)C(C(C)C)=C[C@@]3(O)CC[C@@H]21,C16951712_decoy,GCR,Decoy,0,-9.53275,-1.63,-1.07,-3.092157284345541
Cc1ccc(Cl)cc1NC(=O)N1CCN(Cc2cccs2)CC1,C20544214_decoy,GCR,Decoy,0,-9.65404,-7.62,-3.28,-7.852993726215613
CCN1CCc2nc3ccccc3c(C(=O)NC3CCCCCC3)c2C1,C23732642_decoy,GCR,Decoy,0,-9.52736,-4.09,-2.86,-4.236626766229283
N#C/C(=C\c1c(F)cccc1N1CCCCC1)c1nc2ccccc2[nH]1,C25387045_decoy,GCR,Decoy,0,-8.44986,-9.15,,99.0
COC(=O)c1ccc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cc1,C26433468_decoy,GCR,Decoy,0,-9.55978,-3.34,-4.96,-3.793202063118113
S=c1[nH]nc(C2CCCCC2)n1/N=C\c1ccc(Cl)cc1Cl,C02330668_decoy,GCR,Decoy,0,-9.87394,-2.76,-1.12,-3.7508111074143455
O=C1S[C@H](Nc2ccccc2F)C(=O)N1c1cccc2ccccc12,C33569737_decoy,GCR,Decoy,0,-8.39802,-9.03,-0.62,-7.278947647290366
C[NH+](Cc1nc([O-])c2cc(Cl)ccc2n1)[C@@H]1CCCc2ccccc21,C16695273_decoy,GCR,Decoy,0,-9.27759,-9.73,-1.05,-9.204569926419763
Cc1nc([C@H](C)Nc2c(Cl)cc(Cl)c3nsnc23)cs1,C37129259_decoy,GCR,Decoy,0,-10.3206,-6.71,-0.9,-10.441859135950478
CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1,C01354437_decoy,GCR,Decoy,0,-9.46521,-2.35,-2.28,-3.5431282944199443
O=C1c2ccccc2[C@H](Nc2ccc(F)c(Cl)c2)N1c1ccccn1,C04915793_decoy,GCR,Decoy,0,-9.15361,-8.37,-0.8,-9.1043368681627
Cc1cccc(N[C@@H](C#N)c2cc(Br)c3c(c2)OCO3)c1,C37936864_decoy,GCR,Decoy,0,-9.3913,-8.14,-2.67,-9.504809189088952
O=C1N/C(=N/c2ccccc2)S[C@H]1c1ccc(-c2ccc(F)cc2)o1,C04661933_decoy,GCR,Decoy,0,-8.56971,-4.35,-3.01,-4.125866735183694
CCn1c(C(=O)Nc2nc3ccc(F)cc3s2)cc2sccc21,C40805836_decoy,GCR,Decoy,0,-9.83347,19.74,-1.62,4.530634048600815
CC(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1,C46078745_decoy,GCR,Decoy,0,-9.52339,-10.17,-1.62,-9.384962500940857
Cc1ccc2c(c1)S[C@@H](C(=O)N[C@H](C)c1ccc3c(c1)OCCCO3)C2,C46744428_decoy,GCR,Decoy,0,-8.71704,-3.69,-0.53,-3.883084959905944
O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1ccc(F)c(F)c1,C49027986_decoy,GCR,Decoy,0,-8.4551,-2.89,-3.14,-3.485155002442202
Cc1ccc(C#N)cc1NCc1cc2c(cc1Br)OCO2,C50429810_decoy,GCR,Decoy,0,-8.59588,-8.02,-1.61,-7.274768333274342
O=C(C[C@H]1C(=O)Sc2[nH]c(=O)sc21)c1ccc2c(c1)CCCC2,C27642384_decoy,GCR,Decoy,0,-10.7626,-5.5,-1.07,-5.61028572452402
O=C1CCc2cc(OC(=O)c3cccc(Br)c3)ccc2N1,C55253424_decoy,GCR,Decoy,0,-9.43023,-8.9,-4.29,-7.89446427090364
O=C(/C=C/c1c(F)cccc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1,C56323231_decoy,GCR,Decoy,0,-9.31078,-4.23,-0.79,-4.090802079617065
Cc1cc(C)c(NC(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c(C)c1,C56520352_decoy,GCR,Decoy,0,-8.19204,-0.56,-2.06,-3.166948820248309
O=C(Nc1cccc(N2CCCCC2)c1)N1CCC[C@H]1c1ccsc1,C56742157_decoy,GCR,Decoy,0,-9.92093,-4.08,-3.63,-4.638053313007878
CC(=O)Nc1ccc(Sc2ncnc3sc4c(c23)CCCC4)cc1,C07983546_decoy,GCR,Decoy,0,-9.35198,-4.1,-5.18,-4.296216595556247
Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O,C08217032_decoy,GCR,Decoy,0,-9.15163,-9.46,-1.88,-8.911358132902764
O=C1C[C@H](Nc2ccccc2Br)C(=O)N1C1CCCCC1,C36853025_decoy,GCR,Decoy,0,-9.38981,-2.77,-1.26,-3.806735400300463
Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3Br)C2=O)cc1,C36635352_decoy,GCR,Decoy,0,-8.27861,-8.93,-0.99,-7.475212471562282
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1,C59740057_decoy,GCR,Decoy,0,-8.17431,-3.66,-0.95,-4.086260788902889
CC(C)(C)C(=O)N1CCC(C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1,C60792133_decoy,GCR,Decoy,0,-8.83594,-3.09,-1.96,-3.737528731678321
CCc1nnsc1C(=O)Nc1ccc(Br)cc1Cl,C61052221_decoy,GCR,Decoy,0,-9.13477,-2.45,-1.66,-3.453072706402243
O=C(Nc1cccc(Cl)c1Cl)c1csc(-c2ccncc2)n1,C62079488_decoy,GCR,Decoy,0,-10.1807,-8.79,-0.68,-8.91271743699434
O=C(NC1CCCCC1)[C@@H]1C=C(c2ccc(Br)cc2)N=N1,C64658145_decoy,GCR,Decoy,0,-8.79313,-1.09,-1.26,-3.2696198198773283
Cc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(C)n2C)n1,C64676549_decoy,GCR,Decoy,0,-9.9765,-4.58,-0.63,-4.946825403549644
Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1,C36635348_decoy,GCR,Decoy,0,-9.31892,-3.29,-4.54,-3.8790440069942527
Cc1cccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c1,C36635372_decoy,GCR,Decoy,0,-8.79174,-6.93,-2.01,-6.127639847378084
Cc1cc(C)c(N[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1,C36635517_decoy,GCR,Decoy,0,-8.64511,-4.8,-3.09,-4.2445948028867
Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)cc1C,C36635815_decoy,GCR,Decoy,0,-9.16601,-7.88,-2.08,-7.744545514829686
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)cc1,C66036042_decoy,GCR,Decoy,0,-8.82952,-3.93,-0.79,-4.557547654117823
Cc1ccc(F)c2c1N(C(=O)c1ccc(NC(=O)C3CC3)cc1)CCC2,C66787057_decoy,GCR,Decoy,0,-8.12837,-4.14,-1.44,-4.219409197916792
CSc1ccccc1NC(=O)c1cc2c(nc3sccn32)s1,C55554224_decoy,GCR,Decoy,0,-9.99574,-4.65,-3.22,-3.200273327365541
O=C(NCC(F)(F)F)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1,C67014197_decoy,GCR,Decoy,0,-7.16397,-7.13,-0.79,-6.028474435052573
CCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc(C)c1CC,C02084332_decoy,GCR,Decoy,0,-10.0591,-3.91,-3.92,-5.1665231872428805
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCc1ccccc1,C01916312_decoy,GCR,Decoy,0,-9.06215,-7.2,-3.0,-8.577123407570967
Cc1ccc(NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1,C02194697_decoy,GCR,Decoy,0,-12.4928,-3.89,-4.11,-5.028336425133091
CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2cc(Br)ccc21,C09731403_decoy,GCR,Decoy,0,-10.5694,-8.78,-2.36,-9.398115417677882
CCC/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1,C12575948_decoy,GCR,Decoy,0,-8.99199,-6.93,-1.04,-6.528033755405931
O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c(Cc2ccccc2)nc2ccccc21,C00948015_decoy,GCR,Decoy,0,-9.29353,-7.45,-2.74,-9.629942991248392
Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1,C13498196_decoy,GCR,Decoy,0,-10.348,-3.58,-3.09,-5.026508615673838
Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cccs1,C13498212_decoy,GCR,Decoy,0,-11.1835,-3.45,-3.46,-5.395884551657892
Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1,C13498414_decoy,GCR,Decoy,0,-9.91487,-3.4,-4.39,-4.733665415974039
CC(/C=C/c1ccccc1F)=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1,C13856417_decoy,GCR,Decoy,0,-10.0075,-3.85,-4.5,-4.35252549160307
CC(C)CCOc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1,C14037398_decoy,GCR,Decoy,0,-9.24809,-6.16,-4.83,-6.200814552376145
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464042_decoy,GCR,Decoy,0,-10.8138,-5.6,-3.55,-6.078281214754217
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2,C14466183_decoy,GCR,Decoy,0,-11.8753,-9.1,-3.25,-9.442209112163642
C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,C03320540_decoy,GCR,Decoy,0,-9.34934,-9.34,-1.07,-14.725494723265712
CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc(C)c1-c1ccccc1,C01921962_decoy,GCR,Decoy,0,-9.97212,-7.45,-2.78,-8.904681661322904
Cc1ccc(Cl)cc1N1CCN(C[C@H](O)CO[C@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1,C20109640_decoy,GCR,Decoy,0,-10.4795,-4.91,-0.73,-7.339483308199077
Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1Cl,C16780680_decoy,GCR,Decoy,0,-10.2759,-4.0,,99.0
O=C(Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21)Nc1ccccc1,C27697540_decoy,GCR,Decoy,0,-9.15341,-8.33,-3.68,-10.217401431792837
Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c1,C28296620_decoy,GCR,Decoy,0,-9.78054,-3.65,-1.35,-4.718230947394189
O=C(CSc1ccc2ccccc2c1)Nc1nnc(SCc2ccc(Cl)cc2)s1,C32696915_decoy,GCR,Decoy,0,-12.9622,-5.62,-2.73,-7.6280344561134275
CCCCCCNC(=O)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccccc1Cl,C33739375_decoy,GCR,Decoy,0,-10.234,-3.22,-1.76,-4.858245861535117
O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1,C34717249_decoy,GCR,Decoy,0,-12.3555,-6.76,-4.9,-8.291862921152825
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1,C35031394_decoy,GCR,Decoy,0,-9.75394,-3.83,-1.66,-4.8889742873101385
C[C@@H](CC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)CC(C)(C)C,C35912942_decoy,GCR,Decoy,0,-9.86726,-5.63,-5.78,-6.764099144994
C[C@H](CC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc3c(c2)CCC3)cc1)CC(C)(C)C,C35925194_decoy,GCR,Decoy,0,-12.202,-4.01,-3.01,-5.462926392590841
CCCC[C@H](CC)C(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F,C35928237_decoy,GCR,Decoy,0,-10.7435,-6.22,-3.14,-9.112652692733414
CC[C@@H](C(=O)N(C)[C@@H](C(=O)NC(C)(C)C)C(c1ccccc1)c1ccccc1)c1ccccc1,C36527299_decoy,GCR,Decoy,0,-8.18032,-3.15,-4.73,-3.990230986853443
C[C@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(c1ccccc1)c1ccccc1,C36536090_decoy,GCR,Decoy,0,-9.64168,-2.85,-4.23,-4.415871185953122
CCCN(C(=O)C1CCCCC1)[C@H](C(=O)NC(C)(C)C)c1c(Cl)cccc1Cl,C36560633_decoy,GCR,Decoy,0,-9.43274,-7.24,-3.99,-10.58731102890333
CCCN(C(=O)C1CCCCC1)[C@@H](C(=O)NC(C)(C)C)c1c(Cl)cccc1Cl,C36560634_decoy,GCR,Decoy,0,-10.0075,-2.85,-3.74,-4.527220494256846
CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1,C36561685_decoy,GCR,Decoy,0,-9.49921,-5.35,-2.83,-5.817683096507287
CCCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C(=O)NC(C)(C)C)c1ccccc1C,C36574486_decoy,GCR,Decoy,0,-9.13186,-8.85,-3.22,-9.79972872273985
CCC/C=C/[C@H](C(=O)NC(C)(C)C)N(C(=O)Cc1ccc(Br)cc1)C(C)(C)C,C36583914_decoy,GCR,Decoy,0,-9.5235,-7.9,-3.67,-10.2761307869481
CCC(CC)[C@H](C(=O)NC(C)(C)C)N(C(=O)Cc1ccc(Br)cc1)C(C)(C)C,C36583930_decoy,GCR,Decoy,0,-8.83256,-7.04,-3.47,-10.158589367032988
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)C[C@H](C)c2ccccc2)C(C)(C)C)cc1,C36588310_decoy,GCR,Decoy,0,-8.96355,-3.69,-1.61,-4.538949810120001
C[C@H](c1ccccc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)CCl)C(C)(C)C,C36590079_decoy,GCR,Decoy,0,-8.96852,-3.96,-3.07,-4.520262457183704
CN(C)c1ccc([C@@H](CNC(=O)C2(c3cccs3)CCCC2)N2CCc3ccccc32)cc1,C38666432_decoy,GCR,Decoy,0,-11.1858,-4.51,-3.25,-5.52463326885941
O=C(NCCc1ccccc1)c1nc(SCc2c(Cl)cccc2Cl)n2ccccc12,C39230811_decoy,GCR,Decoy,0,-10.3186,-8.59,-4.42,-9.959292640137807
O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1nnc(SCc2ccc(Cl)cc2)s1,C39794440_decoy,GCR,Decoy,0,-11.7186,-4.37,-3.83,-5.491211826014062
O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccc(Cl)cc1,C40208015_decoy,GCR,Decoy,0,-9.07188,-7.2,-3.6,-4.159061466948868
C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2F)n1,C40425119_decoy,GCR,Decoy,0,-11.6623,-8.32,-2.41,-13.316433235757808
CCCCOc1ccc(/C=C/C(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1,C41012696_decoy,GCR,Decoy,0,-10.5214,-4.92,-2.16,-5.997934992349782
COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc3ccccc3c2Br)cc1,C44841341_decoy,GCR,Decoy,0,-9.9584,-7.77,-2.18,-9.557217005268456
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1,C28215883_decoy,GCR,Decoy,0,-12.4051,-9.93,-2.71,-13.197231875827658
O=C(CCCSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1)NC1CC1,C58974784_decoy,GCR,Decoy,0,-10.5911,-9.05,-2.5,-11.82610500694579
CCCCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(I)cc1,C59074051_decoy,GCR,Decoy,0,-9.13723,-2.54,-3.77,-4.841517802072198
CCc1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1-c1ccccc1,C33717164_decoy,GCR,Decoy,0,-9.30936,-7.26,-3.97,-5.8841207427062
O=C(Cc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1,C59447283_decoy,GCR,Decoy,0,-8.25605,-7.1,-3.45,-7.313565116155509
Cc1ccc(-c2nc(CCNC(=O)[C@H](Sc3ccccc3)c3ccccc3)co2)cc1,C60343894_decoy,GCR,Decoy,0,-9.42795,-3.77,-3.98,-4.687442442726006
O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn12)NCCC1=CCCCC1,C65061216_decoy,GCR,Decoy,0,-11.2879,-5.99,-3.18,-6.800082700093325
C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3cccnc3)[C@H]2C1,C04168280_decoy,GCR,Decoy,0,-8.52782,-3.43,-2.98,-3.2970298441601145
O=C(Nc1ccc(Br)cc1Cl)C(Cl)(Cl)Cl,C01041914_decoy,GCR,Decoy,0,-9.34941,-7.39,-1.22,-7.61406048714199
O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)CCC3,C00427628_decoy,GCR,Decoy,0,-9.80966,-5.56,-6.37,-4.063031084709961
O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1Br,C00450031_decoy,GCR,Decoy,0,-8.48207,-3.45,-1.9,-3.803487234350946
O=C(NC1CCCCC1)c1cc2c(s1)-c1ccsc1CC2,C09777176_decoy,GCR,Decoy,0,-10.2254,-3.14,-3.02,-3.846677756281096
O=C(Nc1cccc2c1CCCC2)c1cc(F)c(F)c(F)c1F,C13003271_decoy,GCR,Decoy,0,-8.71328,-4.68,-1.67,-4.00354832944343
Cc1cc(C)c2c(c1)N[C@H](c1ccc(N(C)C)cc1)[C@@H]1CC=C[C@H]21,C13643581_decoy,GCR,Decoy,0,-9.36891,-2.61,-0.79,-3.3921238485998604
O=C(Nc1ccc(Br)cc1F)c1cc2c(s1)CCC2,C15007888_decoy,GCR,Decoy,0,-9.57558,-3.84,-0.68,-3.782594577384056
CC1=N[C@](O)(C(F)(F)F)CC2(S1)C1CC3CC(C1)CC2C3,C15202559_decoy,GCR,Decoy,0,-8.27431,-8.37,-0.53,-12.78127172847802
O=C(Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl,C15658304_decoy,GCR,Decoy,0,-7.97481,-3.48,-1.81,-3.5590135912963734
C1=C[C@@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3cccnc3)[C@H]2C1,C16293592_decoy,GCR,Decoy,0,-9.13244,-11.68,-1.8,-8.905553112507304
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1cc(Br)ccc1F,C19806822_decoy,GCR,Decoy,0,-8.58497,-7.42,-0.16,-13.224182836859503
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)c1ccc(Br)cc1F,C19806826_decoy,GCR,Decoy,0,-8.87142,-3.96,-0.57,-3.927760441016929
Cc1cc(C)c2c(c1)N[C@H](c1ccc(N(C)C)cc1)[C@@H]1CC=C[C@@H]21,C20686062_decoy,GCR,Decoy,0,-9.78617,-3.36,-1.34,-4.06835637690572
Cc1c(Cl)ccc2c1N[C@@H](c1ccc(N(C)C)cc1)[C@@H]1CC=C[C@@H]21,C20686124_decoy,GCR,Decoy,0,-9.5613,-4.19,-0.97,-4.21019063460097
S=c1[nH]cc(-c2ccccc2)n1-c1cccc(Cl)c1Cl,C03342661_decoy,GCR,Decoy,0,-9.46933,-3.49,-4.03,-3.692717663433081
Cc1ccc(-n2c(=S)[nH]c3cc(Cl)ccc32)c(Br)c1,C36889805_decoy,GCR,Decoy,0,-9.599,-8.23,-1.05,-7.041266121303909
Cc1ccc(-n2c(=S)[nH]c3cc(Br)ccc32)c(C)c1,C36898199_decoy,GCR,Decoy,0,-8.82428,-5.89,-0.5,-5.565166282565113
S=c1[nH]c2cc(Br)ccc2n1-c1ccccc1Cl,C36898219_decoy,GCR,Decoy,0,-8.72394,-7.47,-0.38,-8.725411369100586
S=c1[nH]c2cccc(Cl)c2n1-c1ccccc1Br,C36898265_decoy,GCR,Decoy,0,-8.71081,-8.06,-0.61,-10.247418494165714
Cc1ccc(NC2CCOCC2)cc1I,C37055741_decoy,GCR,Decoy,0,-8.10593,-3.29,-0.28,-2.9736296584982367
N#Cc1ccc(N[C@H]2CCSc3ccccc32)c(Br)c1,C37072153_decoy,GCR,Decoy,0,-8.68555,-8.47,-1.14,-7.351646608333894
N#Cc1ccc(N[C@@H]2CCSc3c(F)cccc32)cc1Cl,C37253419_decoy,GCR,Decoy,0,-9.46184,-9.49,-0.85,-11.480912955938594
Cc1cc(Br)ccc1-n1c(-c2ccccc2)c[nH]c1=S,C37325279_decoy,GCR,Decoy,0,-9.34224,-4.03,-2.02,-3.8609088968836542
O=C(N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1csc(Br)c1,C37501094_decoy,GCR,Decoy,0,-9.80397,-7.55,0.16,-10.067025919854956
Brc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2,C04004270_decoy,GCR,Decoy,0,-9.33872,-3.2,0.25,-3.1751517911455944
Oc1ccccc1[C@@H]1CCCN(Cl)[C@@]12CC[C@H](Br)C2,C39512836_decoy,GCR,Decoy,0,-9.2172,-7.9,-1.17,-7.403549011508976
O=C1Cc2cc([C@H](Cl)c3ccc(Cl)cc3Cl)ccc2N1,C40271409_decoy,GCR,Decoy,0,-9.02324,-8.32,-0.52,-6.535200659605121
O=C1Cc2cc([C@@H](Cl)c3cc(Cl)ccc3Cl)ccc2N1,C40271557_decoy,GCR,Decoy,0,-8.91793,-8.47,-0.27,-7.093661356688135
O=C1Cc2cc([C@@H](Cl)c3cc4c(s3)CCCC4)ccc2N1,C40271792_decoy,GCR,Decoy,0,-8.64936,-9.09,-0.78,-13.629435144783498
O=C1CCCc2cc([C@H](Cl)c3ccc(Cl)cc3)ccc2N1,C40274802_decoy,GCR,Decoy,0,-9.41034,-8.92,-0.39,-7.952667510996211
Cc1cccc([C@H](Br)c2cc3c(cc2Cl)NC(=O)C3)c1,C40289516_decoy,GCR,Decoy,0,-8.88669,-8.26,-1.39,-7.326251772121377
C#C[C@@]1([O-])[C@H]2CCC[C@@]23[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)[C@@H]13,C36644205_decoy,GCR,Decoy,0,-9.58504,-4.62,-2.78,-4.368421148186042
Cc1cc(-c2ccc(CO)o2)cc(C)c1I,C45888747_decoy,GCR,Decoy,0,-7.75735,-2.84,-2.84,-2.7927536838225704
Cc1cc(Br)ccc1C(=O)Nc1ccc(F)c(F)c1F,C48627057_decoy,GCR,Decoy,0,-8.72976,-4.51,-0.59,-4.220888342215658
O=C(Nc1ccc(Br)cc1F)c1csc2ccccc12,C49942936_decoy,GCR,Decoy,0,-9.10615,-5.55,-0.49,-4.728361031282181
N#Cc1cc(N[C@H]2CCSc3ccc(Cl)cc32)ccc1F,C51636008_decoy,GCR,Decoy,0,-9.26852,-8.35,-0.74,-7.615433138305634
Cc1ccc(Br)cc1/N=C1/NC2(CCCC2)CS1,C53047122_decoy,GCR,Decoy,0,-8.76448,-7.46,-1.16,-6.69087132498041
Brc1ccc2c(c1)CC[C@H]2Nc1ccc2ncccc2c1,C54108134_decoy,GCR,Decoy,0,-9.48913,-9.47,-0.94,-7.879365526207328
N#C[C@H]1CCCC[C@@H]1Nc1ccccc1I,C54824718_decoy,GCR,Decoy,0,-7.80824,-3.18,-1.27,-2.7825640471081075
Cc1cc(NC(=O)C(C)(C)C)c(C)cc1I,C00568309_decoy,GCR,Decoy,0,-7.95512,-6.82,-1.02,-10.339352291426634
C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cccs1,C06043788_decoy,GCR,Decoy,0,-10.3037,-3.78,-1.86,-3.784199233697476
CNc1cc(C(F)F)nc2c(Cl)ccc(Br)c12,C61692514_decoy,GCR,Decoy,0,-7.60214,-6.98,-1.51,-9.255068176847091
Cc1ccc(C(=O)Nc2cc(Br)ccc2Cl)s1,C61692755_decoy,GCR,Decoy,0,-8.64415,-7.42,-1.74,-6.047477311980953
O=C(Nc1cc(Br)ccc1Cl)[C@H]1C[C@H]2CC[C@@H]1C2,C61692990_decoy,GCR,Decoy,0,-8.55925,-3.2,-0.47,-3.835673048003376
Br[C@@H](c1cn[nH]c1)c1ccc2c(c1)-c1ccccc1C2,C62779341_decoy,GCR,Decoy,0,-8.72019,-8.96,-0.61,-9.22980324429909
Br[C@H](c1ccc2c(c1)-c1ccccc1C2)c1ccn[nH]1,C62779343_decoy,GCR,Decoy,0,-9.18157,-7.25,-0.57,-6.961383564538864
Brc1ccccc1/N=C1/N[C@H](c2ccccc2)CS1,C63001404_decoy,GCR,Decoy,0,-9.24272,-7.57,-2.03,-9.419908130462536
CNc1nc2c(Br)ccc(Br)c2cc1C,C63118813_decoy,GCR,Decoy,0,-8.49473,-7.16,-0.52,-7.546013181018277
C[C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2Cl)C1,C32031864_decoy,GCR,Decoy,0,-9.22865,-7.76,-1.26,-7.025592068374437
C[NH+]1CCc2c(sc3nc(SCc4ccc(F)cc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1,C08769836_decoy,GCR,Decoy,0,-10.2032,9.08,-3.35,-0.553936001382525
Cc1cc(C)c2sc(N(CC[NH+]3CCOCC3)C(=O)CSc3ccccc3)nc2c1,C10047078_decoy,GCR,Decoy,0,-11.3555,-5.29,-3.9,-5.539758915422384
CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1,C12140804_decoy,GCR,Decoy,0,-9.89893,-4.09,-1.88,-6.633605015838162
CC[NH+](CC)CCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1,C12140844_decoy,GCR,Decoy,0,-10.5679,-3.2,-3.4,-4.890043845203604
COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCOCC3)[NH+](C3C4CC5CC(C4)CC3C5)C2)cc1,C12332505_decoy,GCR,Decoy,0,-10.546,-3.43,-3.98,-4.602670681374064
Brc1ccc(-c2nnc(C[NH+]3CCc4sccc4[C@H]3c3cccs3)o2)cc1,C12686338_decoy,GCR,Decoy,0,-11.2419,-8.06,-2.72,-11.441824788940425
C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1,C08918591_decoy,GCR,Decoy,0,-8.19621,-4.3,-2.28,-3.7192648933144
Cn1cc(C[NH+]2C[C@@H]3C[C@H](C2)c2ccc(-c4cc5ccccc5s4)c(=O)n2C3)c2ccccc21,C05396231_decoy,GCR,Decoy,0,-7.38272,-2.15,-4.02,-2.7855219495318075
Cc1ccc2c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc(-c3ccccn3)nc2c1C,C13321667_decoy,GCR,Decoy,0,-6.16421,-3.13,-4.7,-2.535458314733572
Cc1cccn2c(C[NH+]3CCc4sccc4C3)c(C(=O)N(C)CCc3ccccc3)nc12,C12317597_decoy,GCR,Decoy,0,-10.188,-3.44,-6.81,-4.523551422192351
O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]12,C09087808_decoy,GCR,Decoy,0,-6.37646,-4.68,-2.1,-3.071062214544104
FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)c1,C14789028_decoy,GCR,Decoy,0,-9.92188,-5.63,-4.74,-4.910750787050895
Cc1ccccc1CC[NH+]1CCC[C@H](CN(C)C(=O)/C=C/c2nc3ccccc3s2)C1,C14978437_decoy,GCR,Decoy,0,-9.69791,-8.55,-3.15,-7.840583961879428
CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]12,C09330658_decoy,GCR,Decoy,0,-6.87411,-2.51,-4.28,-2.5551832019911904
Cc1ccc(S[C@]2(C[NH+]3CCCCC3)COc3ccc(Br)cc3C2=O)cc1,C16310908_decoy,GCR,Decoy,0,-6.57514,-2.71,-0.85,-2.924459383169213
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C[NH+]2CCC[C@@H]2c2cccn2C)cs1,C25051675_decoy,GCR,Decoy,0,-8.02536,-10.12,-4.59,-8.772129886732412
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(C[NH+]2CCC[C@H]2c2cccn2C)cs1,C25051710_decoy,GCR,Decoy,0,-10.8223,-9.67,-2.99,-9.435678991215005
C[NH+]1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C=Cc4cccnc43)CC2)CC1,C13778947_decoy,GCR,Decoy,0,-10.4956,-3.98,-4.11,-4.4151837847336814
O=c1oc2cc(Br)ccc2n1C[NH+]1CCN(Cc2ccc(Cl)s2)CC1,C29499683_decoy,GCR,Decoy,0,-10.8249,-7.46,-2.73,-8.13943766728252
Cc1nn(-c2ccc(Br)cc2)c2sc(C(=O)N3CC[NH+](C4CCCC4)CC3)cc12,C02244903_decoy,GCR,Decoy,0,-11.2471,-3.62,-2.46,-5.108687160521423
Cc1ccccc1[C@@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)Cc2cccs2)CC1,C34787713_decoy,GCR,Decoy,0,-9.80827,-3.93,-4.01,-4.469494434871917
Cc1ccccc1[C@@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@H](C)C1,C34829818_decoy,GCR,Decoy,0,-11.9347,-3.19,-4.71,-4.7330089971924005
CC(C)(C)CC(=O)N1CCCN(C(=O)CC[NH+]2CCc3sccc3[C@H]2c2ccccc2)CC1,C34830053_decoy,GCR,Decoy,0,-11.1785,-3.58,-1.77,-5.202056759308905
Cc1ccccc1C(=O)N1CCN(C(=O)CC[NH+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C,C34830098_decoy,GCR,Decoy,0,-5.00331,-3.66,-2.23,-2.662182222090763
Cc1ccccc1[C@@H]1c2ccsc2CC[NH+]1CCC(=O)N1CCN(C(=O)CC(C)C)[C@H](C)C1,C34830284_decoy,GCR,Decoy,0,-11.8489,-2.8,-2.32,-5.323057854509113
O=C(CC[NH+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Cc2cccs2)CC1,C34830470_decoy,GCR,Decoy,0,-13.5691,-3.36,-4.57,-5.473352515080895
C[NH+](C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1F,C35486954_decoy,GCR,Decoy,0,-9.19034,-3.63,-2.13,-4.1407766069535015
Cc1ccc(S(=O)(=O)N(c2ccc(C)c(F)c2)C2CC[NH+](Cc3ccco3)CC2)cc1,C35853268_decoy,GCR,Decoy,0,-5.4415,-3.71,-3.97,-2.914796322420498
O=C(c1ccc2c(c1)OCO2)N1C[C@@H](C[NH+]2CCc3ccccc3C2)[C@H](c2ccccc2)C1,C35885312_decoy,GCR,Decoy,0,-10.5485,-2.19,-2.01,-3.978673563983785
CCCCC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1,C35938769_decoy,GCR,Decoy,0,-10.9788,-2.92,-2.19,-4.847229523364162
O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)N1CCc2sccc2[C@H]1c1cccs1,C24764519_decoy,GCR,Decoy,0,-11.8669,-3.26,-6.03,-5.029560342787434
O=C(C[NH+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1,C36038168_decoy,GCR,Decoy,0,-9.64727,-3.53,-1.42,-4.484947306788048
O=c1c2cc(I)ccc2nc(/C=C/C2=c3ccccc3=[NH+]C2)n1-c1ccccc1,C38592702_decoy,GCR,Decoy,0,-8.75948,-3.46,-2.84,-3.557817428943965
CC[C@H]1CCCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CC2(CC[NH+](C)CC2)O3)c1,C39226148_decoy,GCR,Decoy,0,-9.35684,-4.19,-4.55,-4.140182420378944
CC[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc3c(c2)C(=O)CC2(CC[NH+](C(C)C)CC2)O3)c1,C39226317_decoy,GCR,Decoy,0,-10.4015,-3.16,-2.19,-4.381764445901665
CC(C)CN(CC(C)C)C(=O)c1ccc(-c2ccc3c(c2)C(=O)CC2(CC[NH+](C)CC2)O3)cc1,C39227639_decoy,GCR,Decoy,0,-10.4362,-2.12,-1.12,-3.918093718994618
Cc1cccc2c1=[NH+]C(=O)[C@H](CN(C1CCCC1)S(=O)(=O)c1ccccc1Br)C=2,C39325309_decoy,GCR,Decoy,0,-9.41721,-9.61,-2.0,-9.156561662967782
O=C(c1ccc(Br)cc1F)c1ccccc1C[NH+]1CCC2(CC1)OCCO2,C02515742_decoy,GCR,Decoy,0,-10.0074,-9.51,-1.82,-12.6628129489523
Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CC[NH+](C)CC3)/C2=N/C2CCCCC2)cc1,C22937243_decoy,GCR,Decoy,0,-6.22439,-2.27,-3.25,-2.10700186050414
Cc1ccc(CN2CC(=O)N3[C@H](c4ccc(C)cc4)[C@@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63137318_decoy,GCR,Decoy,0,-6.11285,-4.55,-3.2,-3.3061342087029706
CC(C)c1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCC4)CC(=O)N32)cc1,C63139606_decoy,GCR,Decoy,0,-11.715,-2.9,-3.06,-4.12236674519495
Cc1ccccc1[C@H]1[C@@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCc3ccccc3F)CC(=O)N21,C63140415_decoy,GCR,Decoy,0,-4.93345,-3.13,-2.32,-2.3563252342135392
CC(C)CN1CC(=O)N2C[C@@H](c3ccccc3Cl)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O,C63362818_decoy,GCR,Decoy,0,-10.6271,-3.75,-3.55,-4.24351572658268
CC1=NC(=O)[C@H](c2ccccc2)[C@@H](C)N1CCC1=c2cc(OC(F)(F)F)ccc2=[NH+][C@@H]1C,C63515263_decoy,GCR,Decoy,0,-9.09245,-4.63,-4.02,-4.793827116646892
O=C1CCCCN1CCC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccccc1Cl,C64061271_decoy,GCR,Decoy,0,-6.55379,-6.06,-3.18,-3.8482694332580896
O=C1CCCCN1CCC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1Cl,C64061272_decoy,GCR,Decoy,0,-9.22667,-5.7,-2.11,-5.31015240362625
Cc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2CCN1C(=O)CCc1ccc2c(c1)OCO2,C64103164_decoy,GCR,Decoy,0,-10.1495,-3.9,-1.5,-4.526817080470986
Cc1ccc(CN2CC(=O)N3[C@H](CC4=c5ccccc5=[NH+][C@H]4[C@H]3c3ccc(C(C)C)cc3)C2=O)cc1,C64277660_decoy,GCR,Decoy,0,-5.99001,-3.95,-2.41,-2.7187882696872854
CCCCCN1CC(=O)N2[C@H](CC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(C(C)C)cc2)C1=O,C64349101_decoy,GCR,Decoy,0,-4.30052,-3.36,-4.56,-2.00559333317255
CCCCN1C(=O)[C@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc(Cl)c3Cl)N2C1=O,C65356899_decoy,GCR,Decoy,0,-7.15749,-6.23,-3.04,-3.8555217824129246
Cc1cccc(N2C(=O)/C(=C\c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3Cl)c3ccccc3C2=O)c1,C03398330_decoy,GCR,Decoy,0,-6.6399,-3.35,-3.88,-2.915932374699948
Cn1c(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)nnc1C1CC1,C08705427_decoy,GCR,Decoy,0,-11.4023,-4.17,-1.54,-4.841989513044994
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]3c4ccccc4C=NN23)cc1,C02218216_decoy,GCR,Decoy,0,-10.8659,-4.19,-4.94,-4.652225532324125
Cc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(Cl)cc4)CC3)sc2c1,C08978022_decoy,GCR,Decoy,0,-11.3402,-3.08,-4.44,-4.615738125640244
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12,C09335004_decoy,GCR,Decoy,0,-12.3008,-2.52,-3.51,-4.534538172630889
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12,C09361378_decoy,GCR,Decoy,0,-7.05762,-1.54,-3.77,-2.1983677652713163
C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CCC[C@@H]4c4ccc5c(c4)OCCO5)o3)cc2C1,C09665326_decoy,GCR,Decoy,0,-11.1071,-5.0,-2.1,-4.786590044282418
O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCC(c2nc3ccccc3s2)CC1,C09783133_decoy,GCR,Decoy,0,-10.9644,-3.55,-5.82,-4.497065070443089
CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2ccc(F)cc2)C1,C09960117_decoy,GCR,Decoy,0,-6.75379,-2.26,-3.63,-2.9789012056193465
C[C@H]1CCc2c(sc3nc(SCC(=O)N(C)Cc4ccccc4)n(C[C@H]4CCCO4)c(=O)c23)C1,C10439389_decoy,GCR,Decoy,0,-10.7547,-2.81,-4.92,-4.540089388304335
O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1,C10761647_decoy,GCR,Decoy,0,-13.132,-1.17,-2.16,-4.700159665622204
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)CCCSc4ccc(Cl)cc4)CC3)sc2c1,C10812204_decoy,GCR,Decoy,0,-12.6419,-3.45,-2.61,-5.165127931998192
CS(=O)(=O)c1cccc2sc(N(Cc3ccco3)C(=O)CSc3ccc(Cl)cc3)nc12,C10827871_decoy,GCR,Decoy,0,-10.1727,-3.99,-2.41,-4.692900717599523
O=C(CCS(=O)(=O)c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccc(Br)cc2s1,C11139325_decoy,GCR,Decoy,0,-11.8197,-2.75,-3.32,-5.40020658450934
CCS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(Br)cc3s2)c1,C11139353_decoy,GCR,Decoy,0,-11.7713,-3.96,-3.61,-5.479563985497348
CC(C)S(=O)(=O)c1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3ccc(Cl)cc3s2)cc1,C12070677_decoy,GCR,Decoy,0,-11.8143,-4.37,-3.67,-5.836787559158452
CC(C)S(=O)(=O)c1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)cc1,C12070695_decoy,GCR,Decoy,0,-11.1336,-4.05,-4.67,-5.200658186330407
Cc1cc2nc(N3CCN(C(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)CC3)sc2cc1C,C12468995_decoy,GCR,Decoy,0,-11.9725,-3.64,-1.6,-4.5737839803228
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1,C12785984_decoy,GCR,Decoy,0,-10.5376,-4.45,-3.45,-4.677786810094706
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)COc1ccc(Br)cc1Br,C15096242_decoy,GCR,Decoy,0,-9.80143,-9.31,-1.28,-10.318455505649556
O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1,C15906552_decoy,GCR,Decoy,0,-8.84999,-3.15,-3.72,-3.6634192546525934
O=C(/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1,C15906553_decoy,GCR,Decoy,0,-9.5877,-3.72,-2.82,-4.047350701128588
O=C(c1ccc(Cl)cc1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12,C16038351_decoy,GCR,Decoy,0,-6.62719,-4.58,-1.08,-3.058735046462239
COc1cc(OC)cc(C(=O)N2CCC3(CC2)SCCN3C(=O)c2ccc(Cl)c(Cl)c2)c1,C16492122_decoy,GCR,Decoy,0,-10.2002,-4.4,-1.72,-4.729950875831959
Cc1cc(C)c(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc(Cl)cc2Cl)CC3)c(C)c1,C16994212_decoy,GCR,Decoy,0,-6.92284,-3.46,-2.94,-3.2264250377064174
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CC[C@H](C)Sc4ccccc43)ccc2Cl)C[C@@H](C)O1,C17525575_decoy,GCR,Decoy,0,-10.0719,-3.95,-4.14,-4.156374311433932
CCCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nc2sc3c(c2c1=O)CCC3,C17541515_decoy,GCR,Decoy,0,-7.78677,-3.14,-5.08,-3.399087129301802
C[C@@H]1CCc2c(sc3nc(S[C@H](C(=O)N(C)C)c4ccccc4)n(Cc4ccco4)c(=O)c23)C1,C17720308_decoy,GCR,Decoy,0,-8.1589,-5.95,-1.97,-4.769558984280059
O=C(c1ccc(CSCc2ccccc2F)o1)N1CCN(C(=O)c2nsc3ccccc23)CC1,C21152780_decoy,GCR,Decoy,0,-11.3412,-4.12,-1.85,-4.97444596359683
O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCC2(CC1)OCCO2,C21154599_decoy,GCR,Decoy,0,-10.2763,-4.77,-4.91,-4.3200057850246125
CC1CCN(C(=O)C2CCC(Cn3c(=O)c4sccc4n(Cc4ccccc4F)c3=O)CC2)CC1,C21628863_decoy,GCR,Decoy,0,-7.31055,-3.73,-3.1,-3.595580739136748
O=C1SCCN1CCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C21668452_decoy,GCR,Decoy,0,-11.8184,-2.58,-3.78,-5.033275148891633
O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1,C14370651_decoy,GCR,Decoy,0,-11.8454,18.65,-3.05,2.33469693115444
Cc1sc2c(c1C)c1nc(-c3ccncc3)nn1c(=O)n2CC(=O)c1ccc(Br)cc1,C31818069_decoy,GCR,Decoy,0,-9.8815,-9.8,-1.88,-15.003370757824936
Cc1sc2c(c1C)c1nc(-c3cccnc3)nn1c(=O)n2CC(=O)c1ccc(Br)cc1,C32106363_decoy,GCR,Decoy,0,-10.8405,-3.01,-2.65,-4.154375466472704
C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CCCC3)n2)CCN1C(=O)c1ccc(Cl)cc1,C00751543_decoy,GCR,Decoy,0,-12.7224,-3.91,-4.58,-5.205379496128752
CCc1nnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc(OC)cc2)s1,C35511886_decoy,GCR,Decoy,0,-10.5712,-3.17,-4.72,-4.346264523481022
O=C([C@H]1CC=CC[C@H]1C(=O)N1CCN(c2c(Cl)cncc2Cl)CC1)N1CCc2ccccc2C1,C38729304_decoy,GCR,Decoy,0,-6.05861,-4.72,-2.9,-3.071717316505937
CSc1cccc([C@@H]2c3cc4c(cc3C(=O)[C@@H](SC)[C@H]2C(=O)S(=O)(=O)C(C)C)OCO4)c1,C39486406_decoy,GCR,Decoy,0,-12.1986,-4.24,-3.74,-5.697356991017247
COCCn1/c(=N/C(=O)CSCC(=O)N2CCCC[C@@H]2C)sc2cc(Br)ccc21,C36695965_decoy,GCR,Decoy,0,-10.9486,-3.59,-2.47,-4.967882322393206
O=C1/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1,C40221170_decoy,GCR,Decoy,0,-6.60359,-5.95,-3.84,-3.903759427550975
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CSc2nc(Cl)cc(N3CCN(C(=O)C4CC4)CC3)n2)C1,C16611321_decoy,GCR,Decoy,0,-12.5645,-3.92,-2.72,-5.188946276641131
O=C([C@@H]1CCCN(c2ccc(-c3noc(C4CC4)n3)cc2F)C1)N1CCN(c2ccc(F)cc2)CC1,C40877861_decoy,GCR,Decoy,0,-6.99616,-3.83,-1.07,-3.3387626196582123
O=c1c2sccc2n(Cc2nc(-c3ccc(Br)cc3)no2)c(=O)n1-c1ccc(F)cc1,C48986515_decoy,GCR,Decoy,0,-9.91282,-4.69,-2.68,-4.804544319991194
O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1,C49435105_decoy,GCR,Decoy,0,-11.2205,-3.61,-2.55,-4.981932858409863
O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12,C18036638_decoy,GCR,Decoy,0,-9.60343,-4.74,-1.52,-4.457971077162611
O=C(c1ccc(Br)o1)N1CCN(C(=O)[C@H]2C=C(c3ccc(Br)cc3)N=N2)CC1,C63562108_decoy,GCR,Decoy,0,-10.3262,-4.78,-8.7,-5.153800065978359
O=C1N=C(CN2CCN(C(=O)[C@H]3COc4ccc(Cl)cc4C3)CC2)N=C2S[C@H]3CCCCC3=C12,C64144018_decoy,GCR,Decoy,0,-9.23968,-4.49,-3.81,-4.1156183473952055
COc1ccc(Cn2c(=O)c3sccc3n3c(=O)n(Cc4ccc(Br)cc4)nc23)cc1,C64946310_decoy,GCR,Decoy,0,-11.294,-4.12,-3.15,-5.151154989649641
O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1F)N1CCN(c2ccccc2F)CC1,C67216217_decoy,GCR,Decoy,0,-11.0436,-4.88,-1.41,-5.39950478302682
Oc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21,C00054465_decoy,GCR,Decoy,0,-9.94885,-3.14,-1.75,-3.4135637435720416
NC(=S)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1,C11860613_decoy,GCR,Decoy,0,-10.6581,-7.82,-0.45,-7.342332474963449
Nc1c(C(=O)c2ccc(F)cc2)sc2nc3cc4c(cc3cc12)CCC4,C04929920_decoy,GCR,Decoy,0,-10.3171,-3.59,-1.62,-4.12989859333024
Cc1ccc(NC(=S)Nc2ccc(C)c(C)c2)c(Br)c1,C13789945_decoy,GCR,Decoy,0,-8.95252,-7.2,-1.27,-11.183906829473251
Oc1c(Cl)cc(Cl)cc1[C@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21,C14467403_decoy,GCR,Decoy,0,-10.9198,-9.76,-1.39,-7.560484111062802
Nc1cc(Cl)ccc1SCc1ccc(Br)s1,C19815425_decoy,GCR,Decoy,0,-9.48381,-5.59,-0.78,-5.742010311604632
NC(=S)c1ccc(F)c(COc2ccc(Br)cc2F)c1,C20474024_decoy,GCR,Decoy,0,-9.73396,-8.01,-0.88,-8.012161606987274
CC1=CCC=C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1,C22350796_decoy,GCR,Decoy,0,-9.67559,-6.28,-1.81,-4.63524121992914
C[C@@H]1CCC[C@@H](NC(=O)c2cc3ccc(Br)cc3[nH]2)C1,C33185553_decoy,GCR,Decoy,0,-9.23674,-3.16,-0.27,-4.1518031799245785
Oc1ccc2c(c1)OC[C@@H]2Nc1ccc(Br)cc1Br,C36957025_decoy,GCR,Decoy,0,-9.73313,-7.62,-0.26,-6.680648745692989
C[C@@H](Nc1cc2c(cc1Cl)NC(=O)C2)c1ccc(Br)cc1,C36990710_decoy,GCR,Decoy,0,-9.09745,-8.03,-3.34,-7.863509442614392
CC[C@H](Nc1ccc(C)c(I)c1)c1ccc(O)cc1,C37055908_decoy,GCR,Decoy,0,-8.5394,-7.63,-0.63,-7.045534979520269
Nc1cccc(Cl)c1SCc1csc(-c2ccsc2)n1,C37203962_decoy,GCR,Decoy,0,-10.8989,-7.56,-16.05,-7.684248888737991
C[C@@H](Nc1cccc2cn[nH]c12)c1ccc(F)c(Br)c1,C37312446_decoy,GCR,Decoy,0,-8.07227,-8.1,-0.94,-6.543464533074441
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCc1c(N)cccc1Br,C37402198_decoy,GCR,Decoy,0,-8.75119,-7.97,-2.35,-8.32125910445654
Cc1ccc(OCc2ccc(N)cc2Br)c(Br)c1,C37516159_decoy,GCR,Decoy,0,-8.05344,-6.8,-1.06,-5.8678955676305495
Cc1cc(Br)c(N[C@@H](C)c2cc[nH]n2)c(Br)c1,C37907033_decoy,GCR,Decoy,0,-8.07273,-6.85,-2.05,-7.386027068628001
OC[C@@H](Nc1ccc(Br)cc1)c1ccc(Br)cc1,C38118049_decoy,GCR,Decoy,0,-8.68141,-7.06,-0.94,-11.11099329380201
OC[C@@H](Nc1ccc(Cl)cc1)c1cc(Br)ccc1F,C38119558_decoy,GCR,Decoy,0,-8.736,-6.89,-2.05,-6.907847177402616
C[C@H]1CCc2nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c3cc2C1,C39326672_decoy,GCR,Decoy,0,-9.8338,10.18,0.1,0.11497988182787
Cc1ccc(N[C@@H]2CCc3cc(Br)ccc32)c(C)c1O,C40227308_decoy,GCR,Decoy,0,-9.69591,-8.07,-0.91,-7.749694388718522
O=c1[nH]c2ccc([C@@H](Cl)c3ccc(I)cc3)cc2[nH]1,C40270372_decoy,GCR,Decoy,0,-9.36967,-8.03,-0.65,-11.926270366753544
OC[C@@H](Nc1ccccc1Br)c1ccc(Br)s1,C41703034_decoy,GCR,Decoy,0,-10.6298,-3.2,-0.6,-4.67323937383733
OC[C@H](Nc1cccc(Br)c1)c1ccc(Br)s1,C41703040_decoy,GCR,Decoy,0,-10.9018,-2.63,-0.88,-4.326137326873501
Nc1cc(Cl)ccc1SCc1sccc1Br,C43675762_decoy,GCR,Decoy,0,-9.35994,-6.0,-1.81,-5.390917088673758
C[C@@H]1C[C@@H]1CNC(=O)Nc1cc(Br)ccc1Br,C44078558_decoy,GCR,Decoy,0,-8.6917,-4.98,-3.21,-6.841954484917791
C[C@H]1C[C@@H]1CNC(=O)Nc1cc(Br)ccc1Br,C44078560_decoy,GCR,Decoy,0,-8.74697,-7.25,-1.67,-7.957864012500644
C[C@@H](NC(=O)Nc1ccc(I)cc1Cl)C1CC1,C44082476_decoy,GCR,Decoy,0,-8.78003,-4.36,-5.19,-4.454914356767767
NC(=O)c1cccc(-c2nc(-c3cc(Cl)sc3Cl)cs2)c1,C46865264_decoy,GCR,Decoy,0,-11.4851,-8.62,-1.68,-7.34279042156829
C[C@H](NC(=O)Nc1ccc(I)cc1)c1cccs1,C48469549_decoy,GCR,Decoy,0,-9.09378,-6.84,-1.83,-6.818092074938578
CC(C)[C@@H](C)NC(=O)Nc1cc(Br)ccc1Br,C48476515_decoy,GCR,Decoy,0,-8.70103,-6.55,-1.22,-9.79031260587183
C[C@H](Nc1ccccc1[C@@H](C)O)c1ccc(I)cc1,C49542947_decoy,GCR,Decoy,0,-8.15962,-7.55,-3.27,-8.393726633175506
C[C@H](c1cccc(Br)c1)n1c(N)nc2cccc(Cl)c21,C49569423_decoy,GCR,Decoy,0,-9.10047,-7.66,-1.26,-9.398866184602564
NC(=S)c1ccc(OCc2ccc(F)c(Br)c2)cc1,C49596259_decoy,GCR,Decoy,0,-8.34004,-7.6,-0.83,-6.248314002242573
Cc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)c(O)c1,C00061788_decoy,GCR,Decoy,0,-8.82218,-1.48,-1.54,-2.714465678219673
O=C1N[C@@H](c2cccc3ccccc23)Nc2sc3c(c21)CCCC3,C00178352_decoy,GCR,Decoy,0,-10.0092,-5.48,-1.71,-4.000465365118247
Nc1ccccc1CCOc1ccc(I)cc1,C52919026_decoy,GCR,Decoy,0,-7.67568,-6.34,-0.83,-5.526428804561251
Cc1ccc(C[C@@H](Br)c2ccc3[nH]c(=O)[nH]c3c2)cc1C,C53140760_decoy,GCR,Decoy,0,-8.92839,-8.65,-4.98,-8.397331285450138
C[C@H](c1ccc(Br)cc1)n1c(N)nc2ccc(F)c(F)c21,C53170135_decoy,GCR,Decoy,0,-8.9192,-8.03,-0.54,-8.267254793385732
Nc1nc(CSc2ccccc2F)nc2sc3c(c12)CCCC3,C58413535_decoy,GCR,Decoy,0,-10.0293,-7.47,-2.64,-6.9547603008564565
C[C@H]1[C@@H](NC(=S)Nc2ccc(Br)cc2)CCC[C@@H]1C,C59114799_decoy,GCR,Decoy,0,-9.40742,-6.48,-1.7,-8.37081431043395
Cc1nn(C2c3ccccc3-c3ccccc32)c(N)c1I,C43681733_decoy,GCR,Decoy,0,-8.94466,-8.99,-0.76,-7.610569198424164
Cc1ccc(Br)cc1N[C@@H]1C(=O)Nc2cc(Br)ccc21,C37091264_decoy,GCR,Decoy,0,-9.28205,-7.08,-0.19,-6.009499313507043
NC(=O)c1c(/N=C/c2cccc(Cl)c2Cl)sc2c1CCCC2,C05567453_decoy,GCR,Decoy,0,-9.90901,-3.97,-3.25,-4.229256423387293
NC(=O)c1c(/N=C/c2cccc3ccccc23)sc2c1CCCC2,C05604982_decoy,GCR,Decoy,0,-10.2106,-5.85,-3.72,-4.643122264285557
Cc1ccsc1[C@@H]1N=C(O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1,C04783898_decoy,GCR,Decoy,0,-9.94123,-2.95,-0.47,-3.7392764158146186
Cc1ccc(NC(=S)Nc2ccc(I)cc2)cc1C,C13786676_decoy,GCR,Decoy,0,-8.79217,-3.36,-0.75,-3.842626244234326
Oc1cccc2c1CC[C@H]2Nc1cc(Br)ccc1Cl,C61690872_decoy,GCR,Decoy,0,-9.49098,-7.27,-1.54,-7.425202193898889
O=C(Nc1cc(Br)ccc1Cl)c1ccc2c(c1)CCCN2,C61692544_decoy,GCR,Decoy,0,-9.15304,-9.0,-0.95,-7.879988401404466
Cc1cc(Br)c(/N=C(\N)C(C)C)c(Br)c1,C62988089_decoy,GCR,Decoy,0,-8.1429,-6.31,,99.0
O=C1C=C(Nc2ccc(I)cc2)CCC1,C05174254_decoy,GCR,Decoy,0,-7.63663,-5.74,-3.31,-6.206257852814429
O=C1/C(=C\c2cc(Br)cs2)Cc2c(O)cccc21,C11336180_decoy,GCR,Decoy,0,-9.13336,-4.0,-0.88,-3.4542658767169745
Cc1nc([C@H](C)Nc2ccc(Br)cc2)c(C)s1,C20090350_decoy,GCR,Decoy,0,-8.78323,-6.56,-1.67,-6.447892763617906
C[C@@H]1CCC[C@H](NC(=O)c2csc(Br)c2)C1,C33185775_decoy,GCR,Decoy,0,-8.79731,-6.73,-1.37,-9.08634022871963
Cc1nc2ccc(N[C@@H](C)c3ccc(F)cc3)cc2s1,C35019653_decoy,GCR,Decoy,0,-7.24643,-7.93,-0.64,-6.646343896339671
Cc1ccc(F)c(NC(=O)c2csc(Br)c2)c1,C35222428_decoy,GCR,Decoy,0,-9.04871,-7.71,-0.7,-7.195129152864947
C[C@@H]1CN/C(=N\c2cccc(I)c2)S1,C35286954_decoy,GCR,Decoy,0,-7.28199,-6.18,-2.24,-4.891101920844354
Cc1cc(Br)ccc1/N=C1\NC[C@@H](C)S1,C35294514_decoy,GCR,Decoy,0,-7.13847,-5.86,-0.42,-4.593874764616978
CC[C@@H](C)n1c(=S)[nH]c2cc(Br)ccc21,C36891140_decoy,GCR,Decoy,0,-7.55901,-4.37,-0.67,-6.208310941866981
Cc1nc2ccc(N[C@@H](C)c3ccc(F)cc3F)cc2s1,C36956078_decoy,GCR,Decoy,0,-7.83706,-8.51,-0.48,-7.119958376545687
O=C(Nc1ccc(F)c(F)c1F)c1ccc(CCl)cc1,C37343021_decoy,GCR,Decoy,0,-7.1835,-4.22,-0.67,-3.633415058321768
Cc1ccc(O[C@@H]2CCCC[C@H]2O)c(Br)c1,C37696413_decoy,GCR,Decoy,0,-7.96754,-6.9,-0.64,-6.02184148457949
CNc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1,C38057343_decoy,GCR,Decoy,0,-6.55681,-7.54,-1.34,-7.554147797674847
C/C(=N/O)c1sc(Br)cc1Br,C39296476_decoy,GCR,Decoy,0,-8.11766,-5.24,-0.43,-4.480114356691344
CC(C)Nc1cc(I)c(Cl)cn1,C40118247_decoy,GCR,Decoy,0,-7.43211,-6.26,-0.49,-6.467697467553267
O[C@@H](Cc1ccccc1Cl)c1ccc2c(c1)CCCO2,C40264743_decoy,GCR,Decoy,0,-8.12957,-8.72,-0.7,-7.749417764766791
O=C1Cc2cc([C@H](Cl)c3cc4c(s3)CCC4)ccc2N1,C40271765_decoy,GCR,Decoy,0,-9.44365,-8.73,-3.42,-7.605917006587411
CC(C)C[C@@H](Br)c1ccc2c(c1)CCC(=O)N2,C40283187_decoy,GCR,Decoy,0,-7.83274,-7.15,-0.76,-6.3894389052919385
O=C1Cc2cc([C@H](Br)C3CCCC3)ccc2N1,C40284033_decoy,GCR,Decoy,0,-7.82054,-7.63,-0.85,-5.789509337213135
O=C1CCc2cc([C@@H](Br)C3CCC3)c(F)cc2N1,C40289449_decoy,GCR,Decoy,0,-8.13166,-7.74,0.27,-6.844688862708097
N#C[C@@H](NC1CCCC1)c1cc(Br)cs1,C41677798_decoy,GCR,Decoy,0,-8.85526,-5.84,-0.13,-6.000169635191959
Cc1cc([C@@H](C)Nc2ccc(Br)cn2)c(C)s1,C42322317_decoy,GCR,Decoy,0,-8.16087,-5.98,-0.63,-7.314797250141314
Brc1ccccc1-c1n[nH]cc1Br,C42415147_decoy,GCR,Decoy,0,-7.78224,-6.21,-1.18,-5.864239554966725
C[C@@H](C#N)Nc1cc(Br)ccc1Br,C43515390_decoy,GCR,Decoy,0,-7.40771,-5.89,-1.75,-6.396031473705338
CC[C@@H](C#N)Nc1cccc(I)c1,C43539600_decoy,GCR,Decoy,0,-6.98842,-6.36,-1.56,-7.39224003587716
C[C@H]1Cc2ccccc2N1Cc1ccc(C#CCCO)s1,C43679092_decoy,GCR,Decoy,0,-10.2998,-8.16,-0.88,-8.083645369426499
OCC#Cc1ccc(CO[C@H]2CCCc3ccccc32)s1,C43682763_decoy,GCR,Decoy,0,-10.3453,-7.37,-0.82,-10.34189802673823
C[C@@H]1C[C@@H](OCc2sccc2C#CCO)CC(C)(C)C1,C43682872_decoy,GCR,Decoy,0,-9.31926,-6.82,-0.91,-7.520904875463572
CC(C)(C)NC(=O)[C@@H](Cl)c1ccc(Br)cc1,C48071694_decoy,GCR,Decoy,0,-7.92594,-6.51,-1.69,-10.660344216222596
C[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CC1,C48206723_decoy,GCR,Decoy,0,-7.7742,-6.41,-0.68,-9.47350183013554
S=c1[nH]c2cc(Cl)ccc2n1CCc1ccsc1,C49184835_decoy,GCR,Decoy,0,-9.32489,-5.85,-1.7,-6.77347417920551
C=C(Br)CNC(=O)c1cc(Cl)cc(Cl)c1,C49281129_decoy,GCR,Decoy,0,-8.10698,-6.37,-4.82,-5.951912017241869
C=C(Br)CNC(=O)c1cc2c(s1)CCCCC2,C49297693_decoy,GCR,Decoy,0,-9.39363,-7.06,-0.11,-10.782046330186468
Cc1cc([C@H](C)Nc2ncccc2Br)c(C)s1,C49503551_decoy,GCR,Decoy,0,-7.82316,-6.67,-1.53,-5.914472836598774
Fc1ccc(NC[C@@H]2CCC=CO2)c(Br)c1,C50267814_decoy,GCR,Decoy,0,-7.69487,-6.65,-0.4,-5.555198801750133
Fc1cccc([C@@H]2NCc3ccccc3-n3cccc32)c1F,C55211080_decoy,GCR,Decoy,0,-7.83322,-9.34,-0.33,-7.316443273979194
C[C@@H](NC(=O)CBr)C12CC3CC(CC(C3)C1)C2,C59642110_decoy,GCR,Decoy,0,-8.23255,-6.69,-0.59,-7.417628899581074
N#C[C@@H]1CCC[C@H]1NCc1cc(Br)ccc1F,C54826263_decoy,GCR,Decoy,0,-8.3513,-6.71,-1.37,-6.24729446303142
Fc1cc(/N=C2\NC[C@H](c3ccccc3)S2)cc(F)c1F,C61120070_decoy,GCR,Decoy,0,-9.51908,-4.17,-0.75,-3.636839762661176
CN[C@H](c1ccc(Cl)s1)c1cccc2cccnc12,C61414296_decoy,GCR,Decoy,0,-9.75873,-7.4,-0.54,-8.499623009702146
Clc1ccc(Br)cc1NC[C@H]1CCCO1,C61691197_decoy,GCR,Decoy,0,-8.2385,-7.06,-0.46,-6.250221183604561
CCc1c(C)[nH]c2c(Cl)ccc(Br)c2c1=O,C61692350_decoy,GCR,Decoy,0,-7.97391,-6.92,-1.64,-6.495152581563615
Cc1cc(C)c([C@H](O)c2ccc(Br)cn2)c(C)c1,C61870211_decoy,GCR,Decoy,0,-8.20702,-7.22,-0.56,-6.296228126344524
C[C@@H](N[C@H]1CCC[C@@H]1C#N)c1ccccc1Br,C61891361_decoy,GCR,Decoy,0,-7.39835,-6.6,-5.79,-7.319297149339318
O[C@@H](c1ccc2c(c1)COC2)c1ccc(Br)cc1F,C62334871_decoy,GCR,Decoy,0,-8.30215,-7.61,-0.44,-7.075612183013323
Fc1cc(CNc2cccc3cnccc23)cc(F)c1F,C62706442_decoy,GCR,Decoy,0,-7.11248,-9.07,-0.9,-11.36373763320211
Clc1ccc(Cl)c([C@@H](Br)c2ccn[nH]2)c1,C62779471_decoy,GCR,Decoy,0,-7.72983,-6.86,-1.43,-6.4009278652209405
C[C@@H](O)c1cnc(C2(c3ccccc3)CCCCC2)s1,C62783073_decoy,GCR,Decoy,0,-9.25208,-8.51,-1.07,-8.54380151609595
C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)c1ccc(F)cc1,C63011671_decoy,GCR,Decoy,0,-8.34981,-8.8,-1.73,-9.634147781459715
Fc1ccc(/N=C2/N[C@@H](Cc3ccccc3)CS2)cc1F,C63220207_decoy,GCR,Decoy,0,-9.75229,-8.09,-1.39,-7.169033255191939
N#C[C@H](C(=O)N1CCCCC1)[C@@H](CC(=O)c1ccccc1)c1ccc(Br)cc1,C00624428_decoy,GCR,Decoy,0,-9.95085,-7.57,-1.71,-10.772670925608448
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1F,C03003501_decoy,GCR,Decoy,0,-11.4188,-10.42,-2.84,-9.304051890976602
O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1)c1cccs1,C01135976_decoy,GCR,Decoy,0,-11.8724,-4.0,-4.33,-4.903738748233537
C=C(C)Cn1c(SCC(=C)Br)nc2sc3c(c2c1=O)CC(C)(C)OC3,C00985041_decoy,GCR,Decoy,0,-10.338,-2.73,-4.15,-4.08868180071156
COC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1,C08439562_decoy,GCR,Decoy,0,-6.38924,-5.07,-4.34,-3.2639510976305446
Cc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2I)cc1,C00641728_decoy,GCR,Decoy,0,-8.75514,-2.25,-1.8,-3.4097575936431253
O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1,C08772552_decoy,GCR,Decoy,0,-10.8218,-3.58,-3.29,-4.504039557905992
Cc1ccc(OCCn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1,C01980732_decoy,GCR,Decoy,0,-8.8189,-4.04,-1.22,-4.208036723320031
Cc1cccc(OCCn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)c1,C08799181_decoy,GCR,Decoy,0,-9.53078,-3.88,-2.18,-4.031362849142102
CCCC(=O)c1ccc(N2CCN(C(=O)c3c(F)c(F)cc(C)c3Cl)CC2)c(F)c1,C00720616_decoy,GCR,Decoy,0,-10.7092,-3.37,-2.23,-4.887854071093145
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1,C09232408_decoy,GCR,Decoy,0,-9.73138,-1.8,-4.66,-3.539958649259367
CCOc1ccc(-n2c(SCc3ccc(Br)cc3)nc3c(c2=O)SCC3)cc1,C02719935_decoy,GCR,Decoy,0,-11.1252,-2.52,-4.37,-4.627331420566698
Cc1ccc2sc(N3CCN(C(=O)CCCSc4ccc(F)cc4)CC3)nc2c1C,C09910155_decoy,GCR,Decoy,0,-11.6556,-6.99,-5.56,-7.030400152777462
Cc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3ccc(Br)cc3s2)cc1,C10700194_decoy,GCR,Decoy,0,-10.7553,-7.66,-2.26,-9.47867733516219
CC(C)Sc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)cc1,C11140446_decoy,GCR,Decoy,0,-11.4574,-3.9,-4.08,-5.101570557425593
CC(C)Sc1ccc(CC(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)cc1,C12071003_decoy,GCR,Decoy,0,-11.6457,-3.41,-0.92,-5.122578168804323
CSc1ccc2nc(N3CCN(C(=O)CCSc4ccc(F)cc4)CC3)sc2c1,C12495155_decoy,GCR,Decoy,0,-12.7018,-3.41,-6.48,-7.084491628642869
O=C([C@H]1CC=CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C13031151_decoy,GCR,Decoy,0,-11.4217,-3.34,-3.63,-4.980527504433325
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1,C13590969_decoy,GCR,Decoy,0,-12.2635,-9.33,-5.59,-8.669774404201537
N#Cc1c(SCc2cn3cc(Cl)cc(Cl)c3n2)nc(C(F)(F)F)c2c1CCC2,C13640453_decoy,GCR,Decoy,0,-9.14862,-3.82,-2.1,-4.03179158763309
Cc1cc(Br)cc(C)c1OCC(=O)Oc1ccc(Br)cc1C=O,C14017496_decoy,GCR,Decoy,0,-10.3366,-7.82,-1.05,-13.525826663472069
O=C(/C=C/c1ccc(F)c(F)c1)N1CCC[C@H](c2ncncc2-c2ccccc2Cl)C1,C14975832_decoy,GCR,Decoy,0,-11.5975,-3.37,-2.03,-4.891990436382855
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC(C)C)cc1,C16486234_decoy,GCR,Decoy,0,-11.0887,-3.43,-3.7,-4.82411745754661
CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)[C@H](C)CC,C16528614_decoy,GCR,Decoy,0,-10.4537,-5.81,-3.09,-11.692644340713766
CCC(=O)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)[C@@H](C)CC,C16528615_decoy,GCR,Decoy,0,-10.0327,-5.7,-3.44,-8.491961458313764
CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)C(C)(C)C,C16528835_decoy,GCR,Decoy,0,-10.4655,-2.45,-1.88,-4.595190531142174
C=CCn1c(SCC(=O)c2cccc(Br)c2)nc2sc3c(c2c1=O)CCCC3,C02264084_decoy,GCR,Decoy,0,-11.398,-2.97,-3.15,-4.504992240040954
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1,C19893425_decoy,GCR,Decoy,0,-12.8483,-7.44,-5.13,-7.428279211488101
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,C18045606_decoy,GCR,Decoy,0,-9.50772,-3.28,-1.93,-4.494486681825934
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1,C26967822_decoy,GCR,Decoy,0,-10.8356,-3.7,-4.52,-4.670276515932716
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)N1CCCC1,C32698102_decoy,GCR,Decoy,0,-9.83087,-4.27,-4.77,-4.706451614849489
O=C(CSC(=S)N1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1,C33814635_decoy,GCR,Decoy,0,-11.0306,-5.01,-3.18,-8.695661218690168
CCCn1c(=O)n(Cc2ccc(Br)cc2)c(=O)c2c3c(sc21)CC(C)=C3C,C34723551_decoy,GCR,Decoy,0,-7.33884,-2.0,-2.85,-2.8475469751023943
Cc1ccc2nc(-c3cccs3)cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c2c1,C35217822_decoy,GCR,Decoy,0,-11.5125,-3.06,-1.28,-4.645070303119568
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCC1,C35358320_decoy,GCR,Decoy,0,-10.4594,-2.68,-3.86,-4.562899042771076
C[C@H](CC(=O)N1CCC2(CC1)SCCN2C(=O)c1ccc(Cl)cc1Cl)CC(C)(C)C,C35369802_decoy,GCR,Decoy,0,-11.4395,-3.08,-2.41,-6.161669395282765
CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)C1CCC1,C35382325_decoy,GCR,Decoy,0,-8.76516,-5.74,-1.7,-5.0230325310070665
O=C(/C=C/c1ccccc1Cl)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1,C38534102_decoy,GCR,Decoy,0,-10.5613,-6.42,-2.74,-5.663068776563056
Cc1cc(Br)c2c(c1)C(=O)C(=O)N2CCCOc1cc(Cl)ccc1Cl,C39288999_decoy,GCR,Decoy,0,-9.91751,-4.42,-2.39,-4.698553176388658
O=C1C2=C(SCCS2)[C@H](OCC2CCCC2)N1c1c2c(nc3ccccc13)CCCC2,C39446145_decoy,GCR,Decoy,0,-12.0322,-2.92,-3.91,-4.999885265240988
O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccccc1F,C39860330_decoy,GCR,Decoy,0,-10.2046,-7.46,-4.09,-10.295783124843098
C=CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(SC)cc1,C40031872_decoy,GCR,Decoy,0,-10.7151,-2.28,-1.49,-4.275137244771776
Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC(=O)N2CCCCC2)cc1,C44086625_decoy,GCR,Decoy,0,-9.65883,-4.52,-4.58,-4.847031450128726
O=C(c1ccc(CSc2nc(-c3cccs3)cs2)o1)N1CCc2ccccc2C1,C57293462_decoy,GCR,Decoy,0,-11.8843,-3.97,-2.17,-4.884794959966293
CC(C)COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1,C57317256_decoy,GCR,Decoy,0,-11.1676,-3.77,-1.32,-6.152177240210018
C[C@H]1CCN(C(=O)Cc2csc(-c3ccco3)n2)c2cc(C(F)(F)F)ccc2S1,C59005331_decoy,GCR,Decoy,0,-10.3777,-9.0,-2.22,-8.877095521552858
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1,C59334030_decoy,GCR,Decoy,0,-10.4228,-9.26,-0.74,-8.820303813742175
O=C(c1cccn1Cc1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C59852697_decoy,GCR,Decoy,0,-10.5975,4.42,-4.97,-2.235391476667914
O=C(Cc1cccs1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O,C41354739_decoy,GCR,Decoy,0,-11.4479,-3.67,-2.64,-4.372657112693785
O=C1/C(=C/c2c(F)cccc2Cl)Oc2c1ccc1c2CN(CCc2cccs2)CO1,C41654616_decoy,GCR,Decoy,0,-12.1436,-4.27,-3.01,-5.258200140528932
Cc1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(C)n1[C@@H]1CCS(=O)(=O)C1,C09174205_decoy,GCR,Decoy,0,-10.432,-8.09,-3.03,-10.572340469157767
O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccc(N2CCCC2=O)cc1,C09610140_decoy,GCR,Decoy,0,-9.28917,-4.06,-3.04,-4.520508013633427
CC(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)c1,C09622354_decoy,GCR,Decoy,0,-10.6396,-3.6,-4.82,-4.520679837644134
O=C([C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CC=C(c2ccccc2)CC1,C09831216_decoy,GCR,Decoy,0,-8.4635,-3.49,-1.15,-3.582339972025517
CCS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cccc3s2)c1,C10885563_decoy,GCR,Decoy,0,-10.3202,-2.53,-4.04,-4.337481965590898
CC[C@H](C)n1cc(C(=O)N(C)Cc2cccc3ccccc23)c(=O)c(C(=O)N2CCCCCC2)c1,C11872287_decoy,GCR,Decoy,0,-5.00592,-3.5,-3.37,-2.898617635672195
O=C1C[C@](CC(=O)N2CCCC[C@@H]2c2ccccn2)(c2ccccc2)C(=O)N1Cc1cccs1,C11913612_decoy,GCR,Decoy,0,-10.7579,-3.0,-3.89,-4.533007393665021
O=C(Oc1cccc2cccnc12)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]2C1=O,C12407121_decoy,GCR,Decoy,0,-4.73208,-4.46,-3.44,-2.679695571889461
CC(C)(C)P(=NC(=O)c1cc(Cl)cc(Cl)c1)(N1CCOCC1)N1CCOCC1,C12575515_decoy,GCR,Decoy,0,-10.5313,-3.11,-3.62,-4.449179885065707
Cc1cccc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)c1,C14889423_decoy,GCR,Decoy,0,-6.52201,-3.3,-2.86,-3.1259207733738683
COC(=O)[C@H]1C(=O)Oc2c(Br)cc(Br)cc2[C@@H]1[C@@H](C)C(=O)OC,C01438459_decoy,GCR,Decoy,0,-9.83536,-4.07,-0.17,-5.077887719362795
COCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)N(C)C,C16528818_decoy,GCR,Decoy,0,-9.81137,-5.82,-3.64,-7.97070567838262
Cc1ccc(CN(C)C(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)o1,C19352667_decoy,GCR,Decoy,0,-10.2217,2.37,-10.69,-2.760642365458435
CC(=O)N1CCc2c(sc3nc(SCc4ccc(F)cc4)n(C[C@H]4CCCO4)c(=O)c23)C1,C20132221_decoy,GCR,Decoy,0,-11.4892,-4.19,-4.0,-5.090964094504214
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)Cc1nc3ccccc3s1)C2,C14732137_decoy,GCR,Decoy,0,-11.4646,-3.6,-3.47,-5.1090213098449
O=C([C@H]1CCCN1S(=O)(=O)c1cccs1)N1CCC(c2nc3ccccc3s2)CC1,C21000463_decoy,GCR,Decoy,0,-11.9793,-3.78,-2.38,-4.884581045943866
CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2,C21868590_decoy,GCR,Decoy,0,-9.60454,-8.83,-1.84,-9.012544529141191
Cc1cccc(CN2CCN(C(=O)CSc3nc4sc(C)c(C)c4c(=O)n3C)CC2)c1,C23220661_decoy,GCR,Decoy,0,-11.4206,-5.19,-2.21,-5.167611615194898
O=C(COc1ccc(Br)cc1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1,C23786883_decoy,GCR,Decoy,0,-10.4471,-4.32,-1.67,-4.793158960011779
O=C(c1cccs1)N1CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1,C18045837_decoy,GCR,Decoy,0,-10.7719,-4.3,-1.47,-4.663804662918478
O=C(c1ccc(OC(F)F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C25039887_decoy,GCR,Decoy,0,-8.85553,-6.87,-3.51,-7.609202883954754
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)s1,C25777999_decoy,GCR,Decoy,0,-10.9448,-4.92,-10.35,-6.094221541478429
CN(CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)c1ccco1,C26025189_decoy,GCR,Decoy,0,-10.1488,-7.08,-4.26,-7.8082672422497295
O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,C29285033_decoy,GCR,Decoy,0,-9.59168,-5.07,-2.33,-4.88588141593265
C[C@@H](c1ccccc1Cl)N1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1,C29366328_decoy,GCR,Decoy,0,-9.68364,-5.94,-2.42,-6.294890834694572
O=C(c1cccc(OCc2cccs2)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1,C32713815_decoy,GCR,Decoy,0,-11.0621,-6.07,-2.75,-6.227447900892286
CSc1ccc(-c2noc(-c3cn(C)c4cc(N5CCC(C)CC5)c(F)cc4c3=O)n2)cc1,C32984894_decoy,GCR,Decoy,0,-13.1747,-2.53,-1.71,-4.920329221009228
CN1OC[C@@H](S(=O)(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccc(F)c(Cl)c1,C34739439_decoy,GCR,Decoy,0,-10.8272,-10.83,-0.97,-10.263639346405553
O=C(COc1ccccc1)N1CCc2c(sc3ncn(Cc4ccccc4F)c(=O)c23)C1,C35498175_decoy,GCR,Decoy,0,-10.6081,13.79,-0.88,1.2484341077189165
O=C(c1ccc(Cl)cc1Cl)N1CCN([C@H](C(=O)N2CCOCC2)C2CCCC2)CC1,C36250011_decoy,GCR,Decoy,0,-10.423,-4.94,-4.28,-4.964104066453882
Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)n1C1CC1,C36447694_decoy,GCR,Decoy,0,-12.0918,-7.66,-3.73,-7.855614795876494
O=C(c1c2c(nc3ccccc13)CCC2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,C36725799_decoy,GCR,Decoy,0,-9.29272,-5.47,-1.99,-4.894299874530566
CSc1nnc(SCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)s1,C36849340_decoy,GCR,Decoy,0,-10.9319,-4.24,-1.86,-6.711125930521771
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1,C37122179_decoy,GCR,Decoy,0,-8.57564,-5.95,-4.71,-4.710592648575381
O=C(/N=C1/N=N[C@H](S(=O)(=O)Cc2ccc(F)cc2)S1)[C@H]1Sc2ccccc2[C@@H]1Cl,C38577124_decoy,GCR,Decoy,0,-10.5986,-5.03,-2.75,-4.863191135529179
Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2c1,C38732309_decoy,GCR,Decoy,0,-8.04032,-5.34,-3.8,-4.1928964167921645
C[C@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N1CCCc2ncccc21,C38796599_decoy,GCR,Decoy,0,-7.29146,-9.62,-2.21,-7.646595260099201
O=C(OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)s1,C08757766_decoy,GCR,Decoy,0,-11.0119,-4.37,-1.5,-5.713233092234503
COc1cc2c(cc1OC)CN([C@H](C)C1=NC(=O)C3=C(c4cccs4)CSC3=N1)CC2,C39733286_decoy,GCR,Decoy,0,-12.2101,-2.13,-2.05,-4.119402129279724
CC1CCN(C(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)CC1,C39793802_decoy,GCR,Decoy,0,-12.0525,-5.26,-16.03,-5.781381553812266
COc1cc2c(cc1OC)CN(CC1=NC(=O)C3=C(c4ccc(C)s4)CSC3=N1)CC2,C39957754_decoy,GCR,Decoy,0,-9.69574,-4.77,-1.39,-4.739574042437098
O=C(Cn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21)N1CCCCC1,C40256935_decoy,GCR,Decoy,0,-9.52151,-3.71,-3.81,-4.234002139059498
O=C(CSC1=Nc2ccccc2CS1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,C45494192_decoy,GCR,Decoy,0,-12.3215,-4.14,-4.22,-5.582040982541127
Cc1nc(C(C)C)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C46747640_decoy,GCR,Decoy,0,-10.6678,-3.65,-4.06,-6.304871965742941
COc1c(Cl)cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1Cl,C47133080_decoy,GCR,Decoy,0,-10.6627,-3.33,-3.83,-4.691492730333858
O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCC(Oc2nc3c(F)cccc3s2)CC1,C49432472_decoy,GCR,Decoy,0,-11.6417,10.63,-1.17,-0.4518749456798447
Cc1cccc(-n2ccnc2SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1C,C10347940_decoy,GCR,Decoy,0,-9.38367,-4.51,-2.28,-5.127810963484394
C=CCn1c(=S)sc2c(=O)n(CC(=O)c3cc(C)n(-c4ccc(C)cc4)c3C)cnc21,C12513072_decoy,GCR,Decoy,0,-11.6478,-7.63,-4.87,-7.484378648435058
C[C@H]1CN(C(=O)c2cccc(Br)c2)/C(=N\c2cccc(S(=O)(=O)N(C)C)c2)S1,C09245303_decoy,GCR,Decoy,0,-5.25325,-4.51,-1.07,-2.660578430296424
N#Cc1ccc(/C=C(/C(=O)N2CCCC2)C2=NC(=O)C3=C(c4ccccc4)CSC3=N2)cc1,C39939461_decoy,GCR,Decoy,0,-6.19411,-4.86,-2.65,-3.221133795642756
Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1,C01146483_decoy,GCR,Decoy,0,-9.51168,-9.67,-3.73,-7.635804210582192
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccc(Cl)cc3)CC2=O)cc1,C08752287_decoy,GCR,Decoy,0,-10.3155,-8.36,-3.0,-8.711326143580939
Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21,C08753040_decoy,GCR,Decoy,0,-10.5255,-2.94,-3.04,-4.467277485785124
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)c1ccc(F)cc1,C08952995_decoy,GCR,Decoy,0,-8.98522,2.89,-2.88,-2.17741789222608
COCCn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nc2cc(Cl)ccc2c1=O,C09020224_decoy,GCR,Decoy,0,-10.2141,-3.51,-1.36,-4.693450340564158
C=C(C)Cn1c(S[C@@H](C)C(=O)OCC)nc2ccc(I)cc2c1=O,C02401414_decoy,GCR,Decoy,0,-10.066,-3.75,-1.54,-4.932792554217212
C#CCn1/c(=N\C(=O)CCCSc2ccc(C)cc2)sc2cc(S(C)(=O)=O)ccc21,C09474074_decoy,GCR,Decoy,0,-10.9167,-3.64,-0.85,-5.163890514481082
CCS(=O)(=O)c1ccc(CC(=O)/N=c2/sc3c(C)cc(C)cc3n2CCSC)cc1,C09566193_decoy,GCR,Decoy,0,-10.2085,-3.42,-5.35,-4.486353527543013
C=CCn1c(SCC(=O)N2CCCC[C@H]2CC)nc2scc(-c3cccs3)c2c1=O,C09964593_decoy,GCR,Decoy,0,-11.9821,-8.36,-4.77,-10.485414547309569
C=CCn1c(SCC(=O)N2CCCC[C@@H]2CC)nc2scc(-c3cccs3)c2c1=O,C09964594_decoy,GCR,Decoy,0,-11.3676,-7.11,-4.66,-10.149442050737756
CSc1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)c(Cl)ccc3s2)cc1,C10586101_decoy,GCR,Decoy,0,-11.0034,-2.85,-3.72,-4.7577840677008965
O=C(Cn1cc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc21)N1CCCCCC1,C12226035_decoy,GCR,Decoy,0,-11.0357,-9.46,-2.55,-9.457150966266424
CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccccc1,C12413082_decoy,GCR,Decoy,0,-6.70305,-3.47,-4.41,-3.3559911767187867
CCOc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1,C12624969_decoy,GCR,Decoy,0,-11.279,-8.22,-2.4,-13.735398671464347
Cc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)Cc2cccs2)C2CC2)cc1,C16570128_decoy,GCR,Decoy,0,-9.89346,-3.42,,99.0
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1,C17474112_decoy,GCR,Decoy,0,-11.4864,-5.21,-4.02,-5.615381229210869
N#Cc1ccc(-c2ccc(OC(=O)C3CCN(C(=O)c4ccc(Br)cc4)CC3)cc2)cc1,C19678383_decoy,GCR,Decoy,0,-5.62908,-4.72,-3.76,-3.6540386592789615
Cc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3ccc(Br)cc3s2)c(C)c1,C20589088_decoy,GCR,Decoy,0,-10.691,-4.59,-1.75,-5.682264020894819
Cc1ccc(SCC(=O)N(CCN2CCOCC2)c2nc3c(C)cc(C)cc3s2)cc1,C20743722_decoy,GCR,Decoy,0,-9.66744,-3.42,-2.53,-4.5930980525808565
Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCN(c4ccccc4F)CC3)n2)cc1,C21656772_decoy,GCR,Decoy,0,-9.36043,-6.54,-3.77,-5.308005567772492
Cc1ccc(CC(=O)N(CCCN2CCOCC2)c2nc3c(Cl)cccc3s2)cc1C,C21773549_decoy,GCR,Decoy,0,-9.55597,-3.4,-4.32,-4.603785167670943
Cc1ccc(C)c(S(=O)(=O)N(Cc2cccs2)c2ccc(CN3CCOCC3)cc2)c1,C23968523_decoy,GCR,Decoy,0,-11.8285,-10.53,-4.56,-11.00892683010635
C=CCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21,C24145534_decoy,GCR,Decoy,0,-8.97806,-4.01,-5.32,-4.260580862329367
N#CCCN(C(=O)COC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccccc1,C03301441_decoy,GCR,Decoy,0,-11.7815,-9.05,-4.31,-10.22576395684756
Cc1ccc(-n2c(SCc3ccc(C(=O)N4CCCC4)cc3)nc3ccccc3c2=O)cc1,C25697583_decoy,GCR,Decoy,0,-10.6933,-3.91,-2.13,-4.716772910864133
O=C(c1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1)N1CCCC1,C25698087_decoy,GCR,Decoy,0,-11.2684,-9.24,-5.36,-9.271825917740404
CCn1c(SCc2ccc(C(=O)N3CCCC3)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C25698311_decoy,GCR,Decoy,0,-10.8222,-4.35,-0.79,-5.157667519011159
Cc1ccc(S(=O)(=O)C2(C(=O)OCc3csc(-c4ccsc4)n3)CCCC2)cc1C,C29558808_decoy,GCR,Decoy,0,-10.7149,-8.99,-2.59,-9.918752035762148
O=C(C[C@@H](c1ccccc1F)c1cnc2ccc(Cl)cn12)N1CCN(Cc2ccccc2)CC1,C34696023_decoy,GCR,Decoy,0,-8.96069,-5.16,-2.46,-4.74119018415417
C=CCN1CCN(C(=O)c2csc(-c3cccc(OCc4ccc(Cl)cc4)c3)n2)CC1,C34717449_decoy,GCR,Decoy,0,-11.4533,-9.66,-2.48,-9.06902189374923
CC1(C)[C@@H]2CC=C(CN(CCN3CCOCC3)S(=O)(=O)c3cccc4ccccc34)[C@H]1C2,C34930549_decoy,GCR,Decoy,0,-10.3274,-4.15,-3.47,-4.990765332669336
CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)C(C)(C)C,C35070009_decoy,GCR,Decoy,0,-4.3066,-3.14,-1.73,-2.0648237244898646
O=C(Cc1cccs1)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C1CC1,C35246563_decoy,GCR,Decoy,0,-8.65621,-2.95,-4.06,-3.983304794323585
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(CC)C(=O)[C@@]3(C)C(c3ccccc3)=C2c2ccccc2)cc1,C35391968_decoy,GCR,Decoy,0,-5.74761,-2.27,-0.9,-2.65933610274326
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)C12CC3CC(CC(C3)C1)C2,C35471331_decoy,GCR,Decoy,0,-10.3031,-3.87,-1.72,-4.788565846157458
Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2Cl)CC(C)C)cc1,C35845681_decoy,GCR,Decoy,0,-10.9754,-3.71,-2.19,-5.124729146385016
CCCCCc1ccc(C(=O)N2CCN(c3nc(C4CC4)nc4sc(C)c(C)c34)CC2)cc1,C35866662_decoy,GCR,Decoy,0,-11.4296,-2.81,-2.56,-4.876792611176716
CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)C1CCCC1,C36118597_decoy,GCR,Decoy,0,-10.4548,-2.95,-2.68,-4.5175559226738855
CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(Br)cc2)CC1,C37526980_decoy,GCR,Decoy,0,-12.0593,-4.42,-4.05,-5.686830428574679
CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3,C01282619_decoy,GCR,Decoy,0,-7.23196,-1.29,-3.43,-2.602734734651877
O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccccc1Br,C21486787_decoy,GCR,Decoy,0,-10.8149,-4.15,-2.19,-5.166959692276195
O=C(CSc1cc(-c2ccccc2)ncn1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1,C38551931_decoy,GCR,Decoy,0,-11.4657,-5.31,-3.39,-6.002649172130268
O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1Cl,C38586629_decoy,GCR,Decoy,0,-6.54463,-9.66,-3.39,-5.097023235744574
O=C(Cc1ccccc1Cl)N(CCCN1CCOCC1)c1nc2c(Cl)cccc2s1,C36707074_decoy,GCR,Decoy,0,-10.4728,-3.22,-4.01,-4.566731582031092
Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)CC1=O,C40252583_decoy,GCR,Decoy,0,-9.29028,-4.27,-1.29,-4.115428134631641
O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CN1c1ccccc1F,C40252854_decoy,GCR,Decoy,0,-11.1027,-4.07,-2.16,-5.1248012796185325
CCCCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCOCC2)SC1=S,C40562477_decoy,GCR,Decoy,0,-13.3293,-3.22,-5.18,-5.472051757785879
C=CCN(C(=O)CSc1nnc(C)s1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1,C18974680_decoy,GCR,Decoy,0,-10.9379,-8.57,-1.89,-13.444358719981196
Cc1c(/C=C2/SC(CC(=O)C(C)(C)C)=NC2=O)c2ccccn2c1C(=O)c1ccc(F)cc1,C13129659_decoy,GCR,Decoy,0,-12.0922,-4.02,-4.67,-5.183754778022043
CC1=CC[C@H]2C(=O)N(CC#CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)[C@@H]2C1,C20533363_decoy,GCR,Decoy,0,-11.9726,-4.51,,99.0
FC(F)(F)C1=Nc2ccccc2N[C@@H](c2ccccc2)C1,C04234528_decoy,GCR,Decoy,0,-7.00689,-8.94,0.04,-8.45086569339481
Clc1ccc(C2=NN[C@H](C(Cl)(Cl)Cl)C2)cc1,C00163905_decoy,GCR,Decoy,0,-9.71305,-6.68,-0.62,-6.522512585318238
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](F)C(F)(F)F,C03183721_decoy,GCR,Decoy,0,-6.14722,-6.47,-2.95,-5.3964590145402
N#C[C@H](Nc1ccc(Br)cc1)c1ccccc1,C01599057_decoy,GCR,Decoy,0,-6.64096,-7.18,-0.66,-6.039136708894263
Cc1ccc(NC(=O)c2ccc(Br)cc2)c(F)c1,C07265132_decoy,GCR,Decoy,0,-7.49163,-7.86,-4.64,-6.650952168964653
Cc1ccc2c(c1C)N[C@@H](c1ccc(N(C)C)cc1)[C@@H]1CC=C[C@H]21,C13643988_decoy,GCR,Decoy,0,-9.72915,-1.29,-5.04,-3.034388042979613
Clc1cc(Cl)c(NCc2ccncc2)cc1Cl,C19906304_decoy,GCR,Decoy,0,-8.14617,-6.79,-2.76,-6.813706447356623
C[C@@H](Nc1cc(F)ccc1F)c1nc2ccccc2s1,C19907889_decoy,GCR,Decoy,0,-8.83914,-8.32,-0.75,-6.666326095042313
C[C@@H](Nc1ccc2c(c1)CCC2)c1nc2ccccc2s1,C19913926_decoy,GCR,Decoy,0,-9.75389,-8.89,-0.8,-7.747593397098641
Fc1ccc(NCc2ccc3ccccc3n2)c(F)c1F,C20246230_decoy,GCR,Decoy,0,-6.67275,-7.35,-1.14,-5.835238538853437
C[C@@H](Nc1c(F)cccc1F)c1nc2ccccc2s1,C20359478_decoy,GCR,Decoy,0,-7.80198,-7.58,-0.39,-6.8083285174794925
O=C(CCCl)Nc1c(Cl)cc(Cl)cc1Cl,C20368508_decoy,GCR,Decoy,0,-8.90589,-6.26,-0.51,-7.412305709561402
C[C@H](NC(=O)c1csc2c1CCCC2)c1cccs1,C33809843_decoy,GCR,Decoy,0,-9.55383,-7.53,-4.04,-7.473536569872218
CSc1cccc(/N=C2\NC[C@H](c3ccccc3)S2)c1,C35294322_decoy,GCR,Decoy,0,-9.75438,-2.9,-0.66,-4.042764066111335
CC1(C)CS/C(=N\c2ccc(Br)cc2F)N1,C35294647_decoy,GCR,Decoy,0,-8.3976,-7.32,-0.67,-5.697216571471132
C[C@H](O)c1ccccc1Oc1ccccc1Br,C35650591_decoy,GCR,Decoy,0,-7.37401,-7.3,-2.72,-7.423559093067597
Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)c(C)s1,C36394452_decoy,GCR,Decoy,0,-9.71197,-6.19,-3.61,-4.4490672750291305
Cc1cc(N(C)C)ccc1N[C@H]1CSCc2ccccc21,C37274262_decoy,GCR,Decoy,0,-8.93341,-4.15,-0.67,-3.748695922872429
N#Cc1ccc(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(Br)c1,C37302254_decoy,GCR,Decoy,0,-8.41517,-8.49,-0.66,-12.297751160043498
C[C@H](Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1F,C37393297_decoy,GCR,Decoy,0,-7.5224,-7.75,-0.53,-7.024171604106898
CC1(C)CC(=O)C=C(Nc2ccc(Br)cc2F)C1,C00458846_decoy,GCR,Decoy,0,-8.22637,-7.52,-0.48,-9.603504856928996
CS[C@H]1CCCN(c2ccccc2O)[C@@]12CC[C@H](F)C2,C39512153_decoy,GCR,Decoy,0,-8.50075,-8.05,-1.39,-8.812145711690194
C[C@H]1Cc2cc([C@H](O)c3ccc(Br)s3)ccc2O1,C40262006_decoy,GCR,Decoy,0,-10.3834,-6.93,-0.75,-7.88337964732266
O=C1Cc2cc([C@@H](Cl)c3cccs3)c(Cl)cc2N1,C40276599_decoy,GCR,Decoy,0,-8.09868,-7.6,-0.57,-9.15821455661762
c1ccc2sc(NCc3cc4c(s3)CCC4)nc2c1,C40627805_decoy,GCR,Decoy,0,-9.84757,-4.3,-2.19,-4.324846078164195
O=C(NC1(c2ccc(Cl)cc2Cl)CC1)C(F)(F)F,C41540993_decoy,GCR,Decoy,0,-6.8748,-6.83,-0.57,-6.969306358226358
N#C[C@@H](Nc1ccc(Br)cc1)c1cccs1,C41671799_decoy,GCR,Decoy,0,-8.60315,-5.37,-0.44,-5.817038987566935
Cc1ccc([C@H](C)n2c(C)cc3c2CC(C)(C)C[C@H]3O)s1,C41710045_decoy,GCR,Decoy,0,-9.24629,-7.7,-1.56,-8.2368731091385
C[C@H]1C[C@@H](OCc2ccc(C#CCO)s2)CC(C)(C)C1,C43682858_decoy,GCR,Decoy,0,-9.79052,-7.32,-0.44,-9.337012775769049
CC1(C)C[C@H]2C[C@](C)(CN2C(=S)Nc2ccc(F)cc2)C1,C06754907_decoy,GCR,Decoy,0,-9.32106,-8.83,-0.93,-10.613779374364446
C[C@H]1C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CC1,C48206725_decoy,GCR,Decoy,0,-8.34251,-6.61,-1.83,-6.493179495365516
O=C(NC1CCCC1)c1ccc(Br)cc1Cl,C48210458_decoy,GCR,Decoy,0,-8.58544,-7.22,-0.62,-6.987129482666007
CCc1ccsc1C(=O)Nc1ccc(Br)cc1,C48876727_decoy,GCR,Decoy,0,-8.67503,-3.33,-1.34,-3.893088147255297
Cc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCCC3)s1,C48974161_decoy,GCR,Decoy,0,-9.68956,-6.98,-1.63,-6.97322927265665
O=C(NCC12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccsc1,C49214399_decoy,GCR,Decoy,0,-9.24064,-7.22,-0.57,-7.2417275291550975
Oc1ccc(SCc2ccc(Cl)c3cccnc23)cc1,C49493917_decoy,GCR,Decoy,0,-9.29607,-7.84,-0.96,-6.946169319072943
C[C@@H](c1ccccc1F)n1c(=S)[nH]c2c(F)cccc21,C49531511_decoy,GCR,Decoy,0,-7.76607,-8.6,-0.59,-8.008540557230997
Cc1ccc(Cl)c(OCc2ccc(C#CCO)cc2)c1,C49621800_decoy,GCR,Decoy,0,-8.60144,-6.85,-0.57,-8.01940317395333
C[C@@H](Nc1ccc(Cl)c2cccnc12)c1ccsc1,C50343717_decoy,GCR,Decoy,0,-8.0284,-6.17,-0.94,-6.203701954207809
CCc1ccc([C@H](O)c2ccc3c(c2)CC(C)(C)O3)s1,C51755702_decoy,GCR,Decoy,0,-9.92539,-7.98,-1.32,-7.91964348662559
C[C@H](O)c1ccc(-c2ccc(Br)cc2Cl)o1,C52924795_decoy,GCR,Decoy,0,-8.36419,-7.74,-1.62,-6.591520592009466
Cc1ccc(F)c(C(=O)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)c1,C53008543_decoy,GCR,Decoy,0,-8.06724,-4.68,-0.76,-3.886603656760881
CC[C@H](O)c1ccc(-c2ccc(Br)cc2F)o1,C54107516_decoy,GCR,Decoy,0,-7.7129,-3.1,-2.51,-3.0704153266479217
Fc1ccc(NCn2c(=S)sc3ccccc32)cc1,C59475364_decoy,GCR,Decoy,0,-8.84505,-7.28,-1.54,-6.631384158885508
Fc1cc(-n2c(=S)[nH]c3c(F)cccc32)cc(F)c1F,C61119818_decoy,GCR,Decoy,0,-8.71467,-8.28,-0.33,-7.420782390791896
CCC1(CC)CS/C(=N\c2cc(F)c(F)c(F)c2)N1,C61120086_decoy,GCR,Decoy,0,-8.72197,-7.75,-0.23,-8.537155960591788
C[C@@H]1CN/C(=N\c2cc(Br)ccc2Cl)S1,C61692131_decoy,GCR,Decoy,0,-7.95016,-6.28,-0.9,-5.235158957165138
C[C@H](O)c1ccc(N2CCC[C@@H]2C2CCCC2)c(Cl)c1,C61696880_decoy,GCR,Decoy,0,-9.30994,-6.94,-0.53,-7.710417747939288
O[C@@H](c1ccc2c(c1)COC2)c1ccc(Cl)cc1Cl,C62334649_decoy,GCR,Decoy,0,-7.69069,-7.97,-0.33,-7.031995981225029
O[C@H](c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1,C63075735_decoy,GCR,Decoy,0,-8.9874,-7.48,-0.63,-7.6222624001699
c1ccc(-c2n[nH]c(-c3ccncc3)c2-c2nc3ccccc3[nH]2)cc1,C00312298_decoy,GCR,Decoy,0,-7.68612,-4.47,-3.02,-3.7461724086839214
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12,C02568381_decoy,GCR,Decoy,0,-8.02997,-7.4,-2.23,-6.616179059542996
Cc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)s1,C00232681_decoy,GCR,Decoy,0,-10.2572,-9.21,-1.03,-10.78379982919527
Cc1ccc(N2C[C@@H](NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)CC2=O)cc1,C05123438_decoy,GCR,Decoy,0,-8.81259,-3.98,-0.95,-4.352628743923463
Cc1ccc(N2C[C@H](NC(=O)Nc3ccc(C)cc3C)CC2=O)cc1,C05123571_decoy,GCR,Decoy,0,-8.36121,-5.82,-2.13,-7.381336974264919
Cc1ccc(N2C[C@@H](NC(=O)N[C@H]3CCCC[C@@H]3C)CC2=O)cc1C,C05187903_decoy,GCR,Decoy,0,-8.51023,-3.46,-2.95,-3.6784768389273577
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1,C05949330_decoy,GCR,Decoy,0,-8.87048,-3.96,-2.38,-3.9346730075506553
O=c1[nH]c(/C=C2\C=Nc3ccccc32)c(O)n1Cc1ccccc1F,C05998410_decoy,GCR,Decoy,0,-7.57769,-6.58,-1.89,-4.931095287046739
CN1/C(=C\C=N/NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21,C06473648_decoy,GCR,Decoy,0,-9.40624,-2.94,-0.56,-3.580050733496623
Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)[nH]2)CCC3)c1,C08844159_decoy,GCR,Decoy,0,-9.28731,-9.08,-1.95,-8.289631241687816
NC(=O)[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)c2ccccc2O1,C09454628_decoy,GCR,Decoy,0,-8.60522,-7.34,-1.19,-7.864367136819918
Cc1ccc(N2C[C@@H](NC(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)cc1C,C13958520_decoy,GCR,Decoy,0,-8.81076,-6.65,-0.69,-6.559618664712759
C[C@H](Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1)c1ccccc1,C14164101_decoy,GCR,Decoy,0,-9.02792,-8.59,-0.78,-12.176243157153596
Cc1cccc(-c2nc3sc4c(c3c(=O)n2CC(N)=O)CCCC4)c1,C19997636_decoy,GCR,Decoy,0,-10.0595,6.72,-5.75,-1.189605639427265
C=CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C)cc(C)c21,C20606909_decoy,GCR,Decoy,0,-11.0824,-8.21,-4.14,-12.724034842889044
Cc1cc(Br)ccc1-c1ccc(CNc2ncn[nH]2)o1,C20877736_decoy,GCR,Decoy,0,-8.51724,-7.41,-0.51,-7.213332827605905
Cc1[nH]c2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2c1C,C12781692_decoy,GCR,Decoy,0,-10.0308,-4.54,-0.86,-4.961505173913445
O=C1C[C@@H](c2ccco2)Cc2[nH]nc(Nc3cccc(Cl)c3)c21,C22455426_decoy,GCR,Decoy,0,-8.76689,-5.31,-1.3,-4.709468896342046
C/C(=N/Nc1ncnc2sc3c(c12)CCCC3)c1ccc(O)cc1,C36092609_decoy,GCR,Decoy,0,-9.73433,-9.03,-0.93,-9.091267391408037
O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1O,C00827409_decoy,GCR,Decoy,0,-7.21441,-9.92,-1.46,-8.734539769250112
Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C,C40809959_decoy,GCR,Decoy,0,-8.86477,-7.55,-2.51,-8.544273660555987
COc1cccc(-c2c(-c3ccc(Br)o3)noc2N)c1,C40907990_decoy,GCR,Decoy,0,-7.62562,-8.38,-3.31,-9.194360229793975
C[C@@H]1CCc2sc(C(=O)Nc3ccccc3NC(=O)N(C)C)cc2C1,C42735743_decoy,GCR,Decoy,0,-8.02296,1.63,-2.18,-2.802874506894376
O=C(Nc1cccc2ccccc12)[C@H]1CCCN(C(=O)NC2CC2)C1,C44458461_decoy,GCR,Decoy,0,-8.9093,-6.88,-1.9,-7.562188513582799
C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc2c(c1)CCC(=O)N2,C44976459_decoy,GCR,Decoy,0,-7.53922,-8.75,-0.89,-7.819395919039321
Nc1ccc(Br)c(-c2nnnn2Cc2ccccc2Cl)c1,C45626263_decoy,GCR,Decoy,0,-8.83056,-8.1,-0.94,-7.5056442836747665
Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C)c1C(=O)N1CCCC1,C46013293_decoy,GCR,Decoy,0,-9.2079,-3.89,-3.15,-4.1584898403137895
Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)oc2c(F)cccc12,C46224845_decoy,GCR,Decoy,0,-9.60764,-4.91,-3.84,-4.319346493250546
C[C@H]1C[C@H]1CNC(=O)NCc1cc(Br)c2c(c1)OCO2,C49247040_decoy,GCR,Decoy,0,-8.95418,-7.32,-0.7,-13.504157483329392
Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)cc1,C49756563_decoy,GCR,Decoy,0,-8.59552,37.24,-0.77,12.57297856327804
O=C(/C=C/c1ccccc1OC(F)F)N=c1[nH]c2ccccc2[nH]1,C22240036_decoy,GCR,Decoy,0,-6.57758,-5.9,-0.72,-4.802604484792638
O=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCS3)NC1CCCCC1,C55502675_decoy,GCR,Decoy,0,-11.0438,-4.25,-0.83,-5.046099848913133
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)CC(=O)N2,C04944174_decoy,GCR,Decoy,0,-9.74631,-5.38,-4.12,-5.023280436340571
C/C(=C/C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)C1CC1,C56247811_decoy,GCR,Decoy,0,-9.38925,-3.96,-0.79,-4.892639623457995
CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2,C57143362_decoy,GCR,Decoy,0,-8.76686,-3.8,-2.53,-4.101329519192792
C[C@H]1CCc2[nH]c3c(C(=O)NO[C@H]4CCCCO4)cccc3c2C1,C58413775_decoy,GCR,Decoy,0,-8.71544,-3.91,-2.23,-4.14538176107449
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1,C59151790_decoy,GCR,Decoy,0,-8.8383,-6.92,-4.27,-5.58372010419824
CCOC1=CC(=O)/C(=C2/NNC=C2c2nc(C)cs2)C=C1CC,C18120621_decoy,GCR,Decoy,0,-9.70045,-3.56,-0.59,-3.970413227732746
COc1ccccc1-n1nc(-c2ccc(Br)o2)cc1N,C62606146_decoy,GCR,Decoy,0,-7.46685,-3.8,-2.27,-3.316061552046349
N#CC1=C(N)OC2=NN=C(c3cccs3)[C@H]2[C@H]1Cc1ccccc1,C00549932_decoy,GCR,Decoy,0,-8.92416,-5.76,-0.77,-4.454498930832722
CNC(=O)C1CCC(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)CC1,C63329517_decoy,GCR,Decoy,0,-8.4693,-3.69,-0.71,-4.384921129812002
Cc1cc(C(=O)Nc2cc(Cl)ccc2F)ccc1N1CCNC1=O,C64762991_decoy,GCR,Decoy,0,-9.61654,14.13,-3.3,1.5650194099082926
C[C@H](NC(=O)c1ccc(Cl)nc1Cl)c1nc2ccccc2[nH]1,C64935884_decoy,GCR,Decoy,0,-9.48379,-3.68,-0.81,-4.1527355542962265
Cc1ccc(NC(=O)N2CCc3c(C(=O)NC(C)C)cccc32)cc1,C65210127_decoy,GCR,Decoy,0,-8.64118,-3.89,-1.7,-3.953288436152497
O=C(Nc1cccc2c1CCCC2)c1ccc(-c2ccco2)[nH]c1=O,C65713200_decoy,GCR,Decoy,0,-9.15701,-6.74,-2.81,-5.754074007177357
O=C(NC1CCCCC1)C1CCN(C(=O)NCC(F)(F)F)CC1,C65985563_decoy,GCR,Decoy,0,-8.06914,-4.39,-0.86,-4.470635305769048
Cc1ccc(NC(=O)N2CCC(NC(=O)C3CCC3)CC2)c(Cl)c1,C66157628_decoy,GCR,Decoy,0,-9.35582,-2.6,-5.44,-3.7593491253410862
COc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C,C67319393_decoy,GCR,Decoy,0,-9.09442,-4.1,-1.61,-4.261050243158136
Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)c(Cl)c1,C67487323_decoy,GCR,Decoy,0,-9.2771,-6.29,-1.24,-6.872408750964361
CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1nnc(C(F)F)s1,C67586524_decoy,GCR,Decoy,0,-8.11193,-2.67,-0.43,-3.702087733248021
CC(C)(C)n1nc2c(c1NC(=O)Nc1cccc(Cl)c1)CSC2,C04077363_decoy,GCR,Decoy,0,-9.76566,-1.72,-1.45,-5.561414537828335
CCOc1ccc2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc2c1,C00917097_decoy,GCR,Decoy,0,-10.2044,-3.5,-2.57,-4.418457654113951
Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1,C02566377_decoy,GCR,Decoy,0,-8.31505,-9.1,-1.57,-9.040610791245951
Cc1ccc(C)c(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1,C04374349_decoy,GCR,Decoy,0,-8.03551,-3.52,-1.79,-3.7335858337105337
O=C(N/N=C/c1ccccc1Br)c1n[nH]c2c1CCCC2,C00186655_decoy,GCR,Decoy,0,-8.81467,-3.79,-1.66,-3.972309494689021
C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2,C04944281_decoy,GCR,Decoy,0,-11.2677,-4.52,-5.08,-5.270544696480618
Cc1ccc(N2C[C@@H](NC(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1,C05123554_decoy,GCR,Decoy,0,-8.42981,-3.09,,99.0
Cc1ccc([C@@H](O)[C@@H](c2ccccc2O)n2nnc3ccccc32)cc1,C05416606_decoy,GCR,Decoy,0,-8.37759,-6.53,-1.34,-5.150776037070919
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1,C01090823_decoy,GCR,Decoy,0,-8.7629,-4.16,-0.92,-4.769110416397999
C/C(=N\N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)Nc1ccccc1S2,C05494705_decoy,GCR,Decoy,0,-9.81765,-6.79,-2.6,-5.699098642439564
Nc1nc(SCc2coc(-c3cccs3)n2)nc2sccc12,C09737271_decoy,GCR,Decoy,0,-10.0947,-3.41,-0.86,-4.011629512251577
Cc1ccc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)cc1F,C13365755_decoy,GCR,Decoy,0,-9.05037,-3.91,-2.52,-4.630359018163921
C[C@@H](NC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2,C13745432_decoy,GCR,Decoy,0,-8.48011,-3.99,-0.39,-4.278977128517097
Cc1ccc(N2C[C@@H](NC(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2=O)cc1C,C13958515_decoy,GCR,Decoy,0,-9.87369,-2.46,-4.67,-3.712515916042919
O=C(Nc1nnc(C2CCCC2)s1)Nc1ccc(Cl)cc1Cl,C09167153_decoy,GCR,Decoy,0,-10.1027,-2.95,-2.38,-4.293707148412331
[H]/N=C1\NC(=O)/C(=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)S1,C05632646_decoy,GCR,Decoy,0,-9.01748,-8.2,-2.16,-7.82993047824
C[C@H](Nc1ccc(O)cc1[N+](=O)[O-])c1ccc(F)c(Br)c1,C37320920_decoy,GCR,Decoy,0,-8.39781,-4.3,-3.19,-4.117180462929566
O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccc2ccccc12,C02385112_decoy,GCR,Decoy,0,-8.728,-5.81,-2.21,-4.777518898272063
Cc1ccc(C2=C[C@H](C(=O)Nc3cccc(Cl)c3C)N=N2)c(O)c1,C38573487_decoy,GCR,Decoy,0,-9.44864,-9.78,-0.68,-9.560255122439791
C[C@H](c1ccccc1)[C@@H]1C(C#N)=C(N)OC2=NN=C(c3ccccc3)[C@H]21,C06982310_decoy,GCR,Decoy,0,-9.02446,-8.51,-1.17,-8.272280990338846
C=CCN1C(=O)/C(=C(\C)c2cccc(N)c2)S/C1=N/c1cccnc1,C39862998_decoy,GCR,Decoy,0,-8.73633,-3.11,-2.48,-3.826016282157108
Nc1c(Sc2ccc(Cl)cc2)ncnc1-n1cnc2ccccc21,C40723143_decoy,GCR,Decoy,0,-9.81606,-4.53,-1.91,-4.64177813428779
CCc1cccc(-n2nnnc2-c2ccc(Br)c(N)c2)c1,C42016712_decoy,GCR,Decoy,0,-8.72323,-8.53,-1.45,-9.570446169481418
CC(C)(C)n1c(=O)cc(Nc2ccc(F)c(C(F)(F)F)c2)[nH]c1=O,C44020246_decoy,GCR,Decoy,0,-6.84411,-5.83,-4.58,-5.327449377256318
C[C@H](NC(=O)NCc1nc2ccccc2s1)c1cc2ccccc2o1,C45755073_decoy,GCR,Decoy,0,-8.97914,-4.5,-0.76,-4.332583300092722
Cc1sc2nc(S[C@@H](C)C(=O)N3CCC(C)CC3)nc(N)c2c1C,C46581232_decoy,GCR,Decoy,0,-9.66091,-7.98,-3.01,-6.8971483365504085
CNC(=O)Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CCCCC1,C47499462_decoy,GCR,Decoy,0,-9.22177,-8.7,-1.56,-9.584495462283812
C[C@@H](NC(=O)C(=O)Nc1cccc2ccccc12)c1cc2ccccc2o1,C49202773_decoy,GCR,Decoy,0,-9.91201,-7.81,-10.08,-6.806254398689127
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1,C00904587_decoy,GCR,Decoy,0,-10.1901,-7.98,-1.25,-7.847362828642765
Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCC2,C08844144_decoy,GCR,Decoy,0,-9.5835,-8.86,-0.94,-13.584999580804183
Cc1ccc(NC(=O)NCc2cn3cc(Br)ccc3n2)cc1C,C56529220_decoy,GCR,Decoy,0,-8.20367,-4.44,-2.16,-4.073887685872599
Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3csnn3)cc2)s1,C56789038_decoy,GCR,Decoy,0,-10.115,-9.79,-1.78,-6.488559133539625
CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1,C57808901_decoy,GCR,Decoy,0,-8.40405,-9.27,-1.81,-10.055794327530265
O=C(Nc1cccc(C(=O)N2CCCc3cc(Cl)ccc32)c1)NC1CC1,C58456772_decoy,GCR,Decoy,0,-9.12402,-4.19,-2.77,-4.474475404694122
CC(=O)Nc1ccc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)cc1,C55544469_decoy,GCR,Decoy,0,-8.81238,-3.87,-1.76,-4.4074855741469054
O=C(NN=C1CCCCCCC1)C(=O)Nc1cccc(Br)c1,C59515755_decoy,GCR,Decoy,0,-9.2231,-2.76,-1.53,-4.110257915773287
CC(C)[C@H](NC(=O)c1cc2ccccc2n1C)c1nc2ccccc2[nH]1,C59741252_decoy,GCR,Decoy,0,-9.3409,-4.76,-2.34,-4.565169704985014
Cc1n[nH]c(-c2ccccc2NC(=O)/C=C/c2cccc3ccccc23)n1,C47228096_decoy,GCR,Decoy,0,-8.63616,-4.26,-1.91,-4.434497641891523
Cc1cc(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1N(C)C,C57895029_decoy,GCR,Decoy,0,-10.0213,-4.1,-1.45,-4.418264233767715
CSc1ccc([C@@H]2C(C#N)=C(N)OC3=NN=C(c4ccccc4)[C@H]32)cc1,C06720032_decoy,GCR,Decoy,0,-9.48867,-3.13,-1.79,-3.779052868979401
Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)n1,C64342931_decoy,GCR,Decoy,0,-9.40347,-4.28,-1.23,-4.7348226095173525
O=C(NCc1cc(Br)cs1)Nc1ccc2oc(=O)ccc2c1,C65801015_decoy,GCR,Decoy,0,-10.2108,-9.24,-1.13,-8.752942488346916
N#Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl,C65834204_decoy,GCR,Decoy,0,-9.60072,-4.5,-1.2,-4.831812802507793
Cc1c(CC(=O)Nc2cc[nH]n2)c(-c2ccccc2)nc2ccccc12,C66051931_decoy,GCR,Decoy,0,-8.67525,-9.33,-4.37,-8.939301452223042
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC(NC(=O)C3CCC3)CC1)C2,C66179880_decoy,GCR,Decoy,0,-10.3166,-3.19,-2.47,-4.770062318563823
N#Cc1ccc(N2CCC(/[NH+]=C/c3c(O)ccc4ccccc34)CC2)nc1,C66255622_decoy,GCR,Decoy,0,-9.63967,-4.46,-3.37,-4.112179981010864
O=C(Nc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1)C1CCOCC1,C66440223_decoy,GCR,Decoy,0,-9.87458,-1.65,-2.09,-3.626987698931248
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1C[C@H]1c1ccco1,C67020117_decoy,GCR,Decoy,0,-8.73798,-5.7,-2.13,-4.915373033498147
Cc1ccc(C(=O)N2CCC(NC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1,C67381243_decoy,GCR,Decoy,0,-9.42239,-4.28,,99.0
C[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)N1CCCC[C@@H]1C,C67487548_decoy,GCR,Decoy,0,-9.24516,-8.16,-0.8,-13.239946181487204
Cc1cc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)c1,C04285929_decoy,GCR,Decoy,0,-8.10442,-5.08,-3.36,-4.504969921586415
Cc1ccc(-c2nc3c(c(SCC(N)=O)n2)Cc2cc(C)ccc2O3)cc1,C02691510_decoy,GCR,Decoy,0,-9.35256,-6.38,-3.02,-5.138794915715428
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1nc2ccccc2s1,C04545597_decoy,GCR,Decoy,0,-11.1479,17.74,-1.75,2.4421353982174456
CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O)=C\c1ccccc1,C05024702_decoy,GCR,Decoy,0,-10.2441,1.84,-0.83,-3.094932045563425
CSc1nc(NNC(=O)c2ccccc2Cl)c2c3c(sc2n1)CCC3,C02238792_decoy,GCR,Decoy,0,-9.79279,-3.92,-2.26,-4.897971902181443
Cc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(SCC(C)C)[nH]c(=O)c32)cc1,C04793501_decoy,GCR,Decoy,0,-9.59093,-4.34,-3.71,-4.509606924444981
O=C(N/N=C/c1c(Cl)cccc1Cl)c1n[nH]c2c1CCc1ccccc1-2,C05125860_decoy,GCR,Decoy,0,-9.76294,-6.37,-1.46,-7.380680152443277
O=C(CSc1nc2cc(Cl)ccc2s1)NC(=O)NC1CCCCC1,C05780472_decoy,GCR,Decoy,0,-10.2937,-9.5,-1.15,-13.574964409938907
Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2ccc(Br)cc12,C02658013_decoy,GCR,Decoy,0,-10.2896,-4.22,-0.93,-4.81280050598516
Cc1cc(C(=O)Nc2sc3c(c2C(=O)NC2CCCC2)CC[C@H](C)C3)c(C)o1,C06527763_decoy,GCR,Decoy,0,-10.2628,4.79,-3.95,-2.3988850619459146
O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cc2c(s1)CCCCC2,C07404864_decoy,GCR,Decoy,0,-10.5799,-4.45,-1.33,-4.95400596887136
Cc1cc(C)c(NC(=O)CNc2ncnc3sc4c(c23)CC[C@@H](C)C4)c(C)c1,C08063995_decoy,GCR,Decoy,0,-10.4827,-8.39,-4.53,-8.807989609527525
CC(C)OC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1,C08748623_decoy,GCR,Decoy,0,-9.83612,-3.57,-4.51,-4.025178166241441
O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1cccs1,C10246136_decoy,GCR,Decoy,0,-11.0608,-3.66,-4.26,-4.926678919153794
COc1ccc(C(c2ccc3cccnc3c2O)c2ccc3cccnc3c2O)cc1,C05550120_decoy,GCR,Decoy,0,-6.16272,-4.52,,99.0
Cc1cc(NC(=O)Nc2c(C3=CCCCC3)c(C)nn2C)ccc1Br,C15830750_decoy,GCR,Decoy,0,-10.1674,-2.88,-2.83,-4.1872369253067045
N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@@H]1c1ccc(F)cc1,C16545260_decoy,GCR,Decoy,0,-9.26124,-4.8,-2.71,-4.36819033169577
Nc1nc(COC(=O)/C=C/c2ccccc2F)nc2sc3c(c12)CCCC3,C18263832_decoy,GCR,Decoy,0,-10.7313,-4.73,-0.71,-5.336935347157154
Brc1ccc(/C=N/Nc2n[nH]c(SC3CCCCC3)n2)cc1,C21078377_decoy,GCR,Decoy,0,-9.26619,-6.67,-1.36,-6.241437447734916
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc(C)cc2)C2=C(C[C@@H](C)CC2=O)N1,C04944103_decoy,GCR,Decoy,0,-9.99654,-4.33,-3.13,-4.592647320720918
C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)N[C@@H]4CCCC[C@@H]4C)cc3c2C1,C32945345_decoy,GCR,Decoy,0,-9.67874,-9.43,-3.98,-7.677959652662848
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1[nH]nc2c1CCc1ccccc1-2,C33680329_decoy,GCR,Decoy,0,-10.1013,-6.72,-1.65,-7.757193482887954
COc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]32C)cc(Br)c1O,C04322679_decoy,GCR,Decoy,0,-9.67386,-8.07,-2.29,-7.558909518687996
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C1,C03245515_decoy,GCR,Decoy,0,-10.6837,-9.29,-2.01,-16.51022326762629
Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cc(F)ccc1F,C38486793_decoy,GCR,Decoy,0,-8.65745,-9.31,-0.59,-7.422550133009664
C=CCN1C(=O)/C(=C(\C)c2cccc(N)c2)S/C1=N/c1cccnc1Cl,C39863999_decoy,GCR,Decoy,0,-9.29128,-3.76,-1.86,-4.40533383072286
CCNC(=O)c1c(NC(=O)c2cc3cccc(C)c3o2)sc2c1CCCC2,C41313605_decoy,GCR,Decoy,0,-9.12327,-8.66,-1.61,-7.978743497576547
CC(C)=NNC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc2c1CCCCC2,C44453042_decoy,GCR,Decoy,0,-9.28448,-3.58,-3.71,-4.355803918250989
COC(=O)[C@@H]1[C@@H](C(=O)N[C@H]2CCCc3c2[nH]c2ccc(C)cc32)[C@@H]2C=C[C@H]1C2,C44923954_decoy,GCR,Decoy,0,-10.1891,-3.33,-1.36,-4.802765740235168
CCc1ccccc1NC(=O)N1CCC[C@H](c2nc3cc(C)c(C)cc3[nH]2)C1,C45235528_decoy,GCR,Decoy,0,-10.1343,-2.86,-1.02,-5.726559828660807
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1,C45438713_decoy,GCR,Decoy,0,-9.38891,-1.03,-2.9,-3.857813761514532
CC(C)C(=O)Nc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCS4)c1,C47682090_decoy,GCR,Decoy,0,-11.0726,-3.78,-1.06,-4.923847294673568
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(C(=O)NCc2cccs2)C1,C49425729_decoy,GCR,Decoy,0,-10.2791,-4.02,-4.98,-4.801207135869919
O=C(Nc1ccccc1-c1ccccc1)C1CCN(C(=O)Nc2cccs2)CC1,C49429578_decoy,GCR,Decoy,0,-9.50474,-3.88,-2.73,-4.676567181339458
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1,C04994788_decoy,GCR,Decoy,0,-9.38464,-9.22,-1.87,-9.021506377105773
COc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(O)c(Br)c3)[nH]c2c1,C09263562_decoy,GCR,Decoy,0,-10.4871,-7.83,-1.97,-7.321170819792238
CNC(=O)c1cccc(-c2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)[nH]2)c1,C53851581_decoy,GCR,Decoy,0,-10.3264,22.46,-3.65,4.684318968883159
CCc1c(C)sc2nc(CC(=O)Nc3cc(Cl)ccc3Cl)[nH]c(=O)c12,C55493319_decoy,GCR,Decoy,0,-10.4687,-8.43,-3.97,-9.002335230728528
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccc(C)cc2)C2=C(C[C@H](C)CC2=O)N1,C04944100_decoy,GCR,Decoy,0,-9.54823,-3.67,-1.26,-4.31785256397593
O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)cc1Cl,C58162048_decoy,GCR,Decoy,0,-11.0722,-0.77,-1.66,-4.861063386432574
O=C(N/N=C/c1cccn1-c1ccccc1)Nc1cccc(Br)c1,C59249246_decoy,GCR,Decoy,0,-7.96649,-8.83,-3.58,-7.961182590551836
Cc1ccc(Br)cc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2,C59292098_decoy,GCR,Decoy,0,-9.10765,-8.38,-2.89,-8.214820318068139
O=C(Nc1cc(Cl)ccc1NC(=O)c1cc2ccccc2s1)c1ccco1,C59326599_decoy,GCR,Decoy,0,-9.40028,-3.01,-3.34,-4.008228976177557
O=C1S/C(=C\c2ccccc2O)C(=O)N1CNc1cc(Cl)ccc1Cl,C59378833_decoy,GCR,Decoy,0,-11.3965,-8.14,-4.93,-7.833444664107673
CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(C)c1,C62411912_decoy,GCR,Decoy,0,-10.4054,-3.56,-3.0,-4.569957764318834
Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)s1,C62499877_decoy,GCR,Decoy,0,-10.0984,-3.71,-1.71,-4.7086956024540125
CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1Cl,C05642624_decoy,GCR,Decoy,0,-11.3748,-8.46,-1.33,-10.339474066570071
Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)cc1C,C64530105_decoy,GCR,Decoy,0,-10.4731,-3.06,-4.23,-4.751356145714462
Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C)c1C)C(=O)C1=C(CCC1)N2,C64660784_decoy,GCR,Decoy,0,-6.34814,-4.71,-2.4,-3.2033866124443064
Cc1ccsc1-c1cccc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)c1,C66553166_decoy,GCR,Decoy,0,-10.5599,-5.45,-2.77,-6.401384460284343
CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1O,C02056232_decoy,GCR,Decoy,0,-12.0661,-3.65,-3.56,-5.203242709274423
NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(Cl)cc1Cl,C00668635_decoy,GCR,Decoy,0,-11.0756,-3.66,-1.7,-5.154120958399606
CCCC/C(C)=N/NC(=O)CNc1c(Br)cc(Br)cc1Br,C08405029_decoy,GCR,Decoy,0,-10.7914,-6.97,-1.36,-12.96960283754665
CCc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1,C03666087_decoy,GCR,Decoy,0,-7.55852,-3.82,-2.5,-3.323691866207454
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1,C03665046_decoy,GCR,Decoy,0,-7.93657,-5.03,-0.99,-3.6165917455046808
CCOc1ccc(C(=O)Nc2ccc(Br)cc2I)cc1,C00624269_decoy,GCR,Decoy,0,-10.1003,-1.32,-0.71,-3.3511043288530327
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc2c3c(cccc13)CC2,C08901171_decoy,GCR,Decoy,0,-7.86446,-6.6,-6.91,-2.0340379158585464
N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1,C09339685_decoy,GCR,Decoy,0,-12.7481,-5.98,-0.83,-6.261596609170166
O=C(CCCSc1ccc(F)cc1)Nc1nc2c(Br)cccc2s1,C09909912_decoy,GCR,Decoy,0,-9.6261,-3.76,-2.22,-4.866737639719201
O=C(c1ccccc1SCc1cccs1)N1CC=C(c2c[nH]c3ccccc23)CC1,C11075614_decoy,GCR,Decoy,0,-11.185,-6.99,-4.42,-8.02611014183559
O=S(=O)(Nc1ccc(Br)cc1)c1cc(Br)ccc1Br,C11635217_decoy,GCR,Decoy,0,-10.0837,-7.26,-1.9,-8.831110073989343
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1I,C13595570_decoy,GCR,Decoy,0,-9.39847,-7.76,-2.03,-11.143044681014873
CN(C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21)C1CCCCC1,C13639038_decoy,GCR,Decoy,0,-10.8681,-3.66,-2.07,-4.515243871412358
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1cccc(Br)c1,C02756647_decoy,GCR,Decoy,0,-11.643,-3.72,-0.71,-4.412595381417515
CN(C(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21)C1CCCCC1,C14549299_decoy,GCR,Decoy,0,-5.92228,-4.82,-2.26,-3.4519238102247813
O=C(CCc1cn(Cc2ccccc2F)c2ccccc12)N[C@@H]1CCCc2ccccc21,C15678351_decoy,GCR,Decoy,0,-9.533,-11.5,-2.42,-9.670029464547715
O=C1N/C(=N\c2ccccc2Cl)S[C@]1(Br)[C@H](Br)c1ccccc1,C16477255_decoy,GCR,Decoy,0,-10.0672,-3.38,-3.94,-3.9415959416582185
O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Br)cc1,C19315510_decoy,GCR,Decoy,0,-10.1142,-2.75,-0.88,-4.388749119392722
S=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(Cl)cccc2Cl)CC1,C19648444_decoy,GCR,Decoy,0,-12.2315,-8.08,-2.06,-14.26940356318655
CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1,C20132902_decoy,GCR,Decoy,0,-11.192,-7.03,-2.2,-8.781309807749526
CC(C)[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1,C20133338_decoy,GCR,Decoy,0,-11.1976,-7.82,-0.7,-17.01863690356531
Brc1cc(Br)c(NCc2ccc(Br)o2)c(Br)c1,C20504486_decoy,GCR,Decoy,0,-10.3448,-6.63,-1.45,-7.411060362378294
CN(C(=O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21)C1CCCCC1,C20680867_decoy,GCR,Decoy,0,-6.7522,-3.43,-2.73,-3.1376015263940973
O=C(Nc1ccc(Br)cc1F)c1ccc(SCc2cscn2)cc1,C25245327_decoy,GCR,Decoy,0,-11.5733,-3.36,-2.25,-5.392168634246886
C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccc(Cl)c(Cl)c1,C25454667_decoy,GCR,Decoy,0,-12.6695,-6.49,-1.67,-12.779774154103327
O=C(Nc1ccc(I)cc1)/C(Br)=C/c1ccccc1,C00955798_decoy,GCR,Decoy,0,-8.97182,-3.94,-0.65,-4.084492746533501
C[C@H](C[C@@H]1CN(C)c2ccc(Br)cc21)NC(=O)C1(c2ccccc2)CCCC1,C27689642_decoy,GCR,Decoy,0,-10.5889,-8.09,-1.26,-12.481605968460894
C[C@H](C[C@H]1CN(C)c2ccc(Br)cc21)NC(=O)C1(c2ccccc2)CCCC1,C27689654_decoy,GCR,Decoy,0,-10.6517,-9.36,-0.57,-13.661577080071984
O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1I,C28091665_decoy,GCR,Decoy,0,-9.94768,-8.09,-1.47,-8.45105899888183
COc1ccc(Br)cc1[C@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]12,C32138903_decoy,GCR,Decoy,0,-10.9403,-3.21,-0.44,-4.249124052773218
OCc1ccc(OCc2ccc(I)cc2)c(I)c1,C34772835_decoy,GCR,Decoy,0,-10.0462,-6.11,-0.65,-7.836408027868108
O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(I)c1,C35494392_decoy,GCR,Decoy,0,-9.07317,-7.51,-1.44,-8.435641255517016
Brc1cc(Br)c(NCc2cccc3c2OCCO3)c(Br)c1,C36168326_decoy,GCR,Decoy,0,-10.6123,-7.84,-0.83,-11.831120202917546
CC(C)[C@H](Br)C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F,C37004880_decoy,GCR,Decoy,0,-9.09687,-6.89,-1.31,-12.555922041440857
O=C(CSCc1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(F)cc1,C08599807_decoy,GCR,Decoy,0,-10.2299,-4.15,-4.02,-4.965575741371237
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(I)cc1,C39858242_decoy,GCR,Decoy,0,-9.51557,-3.2,-1.15,-4.4755614899329865
CCC[C@H](C#N)C(=O)Nc1c(Br)cc(Br)cc1Br,C44814385_decoy,GCR,Decoy,0,-10.1857,-6.25,-0.69,-10.209567303768884
C[C@H](O)CCCCOc1c(Br)cc(Br)cc1Br,C45621297_decoy,GCR,Decoy,0,-9.72482,-6.13,-1.04,-10.121833481192493
CC[C@H](NS(=O)(=O)c1sccc1Br)c1ccc(Br)cc1,C48443938_decoy,GCR,Decoy,0,-10.9197,-6.77,-4.12,-9.30649009072643
Cc1cc(Br)cc(Cl)c1NC(=O)c1cc(Br)c(Br)s1,C48501793_decoy,GCR,Decoy,0,-11.6331,-8.11,-0.73,-9.01265743557626
CN(Cc1ccc(Br)s1)C(=O)NCCc1ccc(Br)s1,C49077499_decoy,GCR,Decoy,0,-11.1497,-5.74,-3.36,-7.856588431500896
CCSc1ccc(NC(=O)c2cc(Br)ccc2I)cn1,C49479691_decoy,GCR,Decoy,0,-10.5176,-0.51,-2.58,-4.04040285782536
O=C(/C=C/Nc1ccc(I)cc1)c1cnc(-c2ccccc2)s1,C08781982_decoy,GCR,Decoy,0,-9.70032,-8.21,-0.32,-8.180829973058247
N#Cc1c(/N=C/c2cc(Br)cc(I)c2O)sc2c1CCCC2,C02892539_decoy,GCR,Decoy,0,-12.0755,-3.76,-0.61,-4.475541495789463
O=C(Cc1ccc(OC(F)F)cc1)Nc1ccc(Br)cc1Br,C57764394_decoy,GCR,Decoy,0,-8.33688,-2.8,-2.3,-3.6707667751624142
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OC(F)(F)C(F)(F)Br)cc1,C59057050_decoy,GCR,Decoy,0,-8.418,-3.31,-1.37,-3.840194408767245
C=CCc1cc(/C=N/c2ccc(I)c(C)c2)cc(OCC)c1O,C59248520_decoy,GCR,Decoy,0,-11.0207,-5.17,-1.68,-6.389776557976302
N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1,C11853128_decoy,GCR,Decoy,0,-11.6187,-9.37,-0.9,-11.314616428352132
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc(Br)c2)cs1,C13658800_decoy,GCR,Decoy,0,-9.67194,-8.07,-3.3,-9.009849231296924
Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)c(C(C)C)cc1Br,C64984993_decoy,GCR,Decoy,0,-9.67856,-6.68,-2.03,-8.796451440097062
Cc1cc(/C=N/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)n1-c1ccccc1Cl,C03205481_decoy,GCR,Decoy,0,-5.74734,-2.43,-3.94,-2.723102261634963
O=c1ccc(/C=C/c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[NH+](Cc2ccc(F)cc2)C1,C05439842_decoy,GCR,Decoy,0,-10.4765,6.92,-2.46,-1.1098664234170788
CSc1nc(SCC[NH+](C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4,C02413333_decoy,GCR,Decoy,0,-12.4733,2.25,-5.22,-4.742041963114432
BrC(=C\c1ccccc1)/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1,C01832202_decoy,GCR,Decoy,0,-10.3333,-3.17,-2.03,-4.297142800451621
c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccc5ccccc45)=NN23)cc1,C09380035_decoy,GCR,Decoy,0,-5.191,-4.13,-1.67,-2.438347706256183
CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12,C09461481_decoy,GCR,Decoy,0,-9.67648,-3.83,-4.06,-4.280300389318279
FC(F)(F)c1cc(/C=C/c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)cc(C(F)(F)F)c1,C12339877_decoy,GCR,Decoy,0,-9.81362,-6.24,-4.97,-5.548550941882733
CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[NH+](C)C[C@@H]2[C@@H]1c1ccc(C(F)(F)F)cc1,C12368657_decoy,GCR,Decoy,0,-8.59667,-2.46,-2.37,-3.5227152467777696
Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@H]1N2C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1,C12614682_decoy,GCR,Decoy,0,-6.07462,-4.01,-5.01,-2.7137833777884177
CCC[NH+]1CCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCCC4)CC1,C03411935_decoy,GCR,Decoy,0,-7.49721,-4.63,-3.7,-3.963691693687733
Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(C[NH+]3CCC[C@H]3c3cccs3)c2=S)cc1,C13073159_decoy,GCR,Decoy,0,-7.59351,-3.38,-3.48,-3.424848922662087
Cc1cc2c(cc1Br)C(=O)[C@@](C[NH+]1CCCCC1)(Sc1ccc(Cl)cc1)CO2,C15229092_decoy,GCR,Decoy,0,-10.7784,-2.69,-0.83,-4.303002265003344
COc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)[nH+]c3sc4c(c23)CC[C@@H](C)C4)cc1,C21474352_decoy,GCR,Decoy,0,-7.90598,-3.78,-5.81,-3.4189508708080423
CCC[NH+]1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12,C25578284_decoy,GCR,Decoy,0,-6.87814,-3.17,-2.09,-2.6261140408857258
Cc1ccc(-c2c(CCN3CCN(c4cc(C)cc[nH+]4)CC3)c3cccc4c3n2CCC4)cc1,C13740414_decoy,GCR,Decoy,0,-7.77984,-3.75,-3.15,-3.622653743724416
FC(F)(F)c1ccc2c(c1)/C(=C/CC[NH+]1CCN(CCBr)CC1)c1ccccc1S2,C33676431_decoy,GCR,Decoy,0,-11.1464,-5.09,-2.09,-5.73269543216497
N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2cccs2)[C@H](C(=O)c2ccccc2)[NH+]2C=Cc3ccccc3[C@H]12,C33694108_decoy,GCR,Decoy,0,-6.63259,-3.53,-3.97,-2.895429560252053
Fc1ccc(N2CC[NH+](CC[C@H](Oc3ccc(F)c(Cl)c3)c3ccccc3F)CC2)cc1,C34727332_decoy,GCR,Decoy,0,-10.3933,-4.17,-3.49,-5.014371369680853
c1ccc(CC[NH+]2CCN(c3nc(-c4ccccc4)nc4sc5c(c34)CCCC5)CC2)cc1,C34755766_decoy,GCR,Decoy,0,-8.57106,-4.29,-4.29,-4.1396125272172215
C=CC[NH+]1CCN(c2nc(SCc3ccc(F)cc3)nc3sc4c(c23)CCCC4)CC1,C34756311_decoy,GCR,Decoy,0,-7.52336,-2.98,-3.54,-2.959690934159948
C=CCSc1nc(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c2c(CC)c(C)sc2n1,C34761168_decoy,GCR,Decoy,0,-11.5777,-3.28,-3.63,-4.925318084565864
C=CC[NH+]1CCN(c2nc(SCc3ccc(Cl)cc3)nc3sc(C)c(CC)c23)CC1,C34761713_decoy,GCR,Decoy,0,-11.0695,-2.85,-3.28,-4.522766922038765
Fc1ccc(-c2csc(Nc3ccc(Cl)cc3Cl)[n+]2-c2ccc(F)c(Cl)c2)cc1Cl,C35403134_decoy,GCR,Decoy,0,-13.2043,-9.44,-3.49,-11.912711399957294
CN1N=C2/C(=C/c3ccc(C(F)(F)F)cc3)C[NH+](C)C[C@H]2[C@@H]1c1ccc(C(F)(F)F)cc1,C35601002_decoy,GCR,Decoy,0,-9.07057,10.48,-1.67,0.540135767488343
Cc1ccsc1C[NH+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@H](c2ccc(F)cc2)C1,C35887888_decoy,GCR,Decoy,0,-10.9932,-9.15,-2.25,-9.777155546292786
CC(C)Cc1nc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C35892825_decoy,GCR,Decoy,0,-7.67421,-2.45,-3.0,-2.9294821831557423
CCOc1ccc2nc(S[C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)sc2c1,C38592292_decoy,GCR,Decoy,0,-11.3165,-2.74,-2.34,-4.718731413335397
CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc(Cl)cc(Cl)c3)sc2c1,C36643356_decoy,GCR,Decoy,0,-10.4273,-4.96,-5.01,-6.089566193302687
Cc1cc(Cl)cc2sc(N(CC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)nc12,C38837282_decoy,GCR,Decoy,0,-10.6546,-3.24,-3.77,-5.067903643929667
CCOc1ccc2nc(S[C@@H]3C(=O)[NH+]=c4cc(Cl)ccc4=C3c3ccccc3)sc2c1,C38903145_decoy,GCR,Decoy,0,-11.6878,-1.14,-1.78,-5.161544117571257
Cc1cccc(N(C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1,C38905788_decoy,GCR,Decoy,0,-6.44638,-5.23,-1.45,-3.513636274260308
Cc1cccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccccc2Br)c1,C38915176_decoy,GCR,Decoy,0,-10.0089,-5.46,-3.07,-5.131699228525028
Cc1cccc(N(C[C@@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1,C38917377_decoy,GCR,Decoy,0,-10.3,3.37,-3.99,-3.212736080124374
Cc1ccc(N(C[C@@H]2C=c3cc(C)ccc3=[NH+]C2=O)C(=O)c2ccccc2Br)cc1,C38958825_decoy,GCR,Decoy,0,-9.95162,-4.8,-2.75,-4.942387657698549
S=C1N=[NH+][C@@H](c2ccc(Cl)cc2Cl)N1/N=C/c1ccc(Br)s1,C38994854_decoy,GCR,Decoy,0,-11.8507,-2.62,-1.12,-4.507498691776304
S=C1N=[NH+][C@H](c2ccc(Cl)cc2Cl)N1/N=C/c1ccc(Br)s1,C38994855_decoy,GCR,Decoy,0,-10.8837,3.81,-0.8,-3.256796514172394
C[NH+](C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2c(Cl)cccc2s1,C36643506_decoy,GCR,Decoy,0,-11.672,-2.58,-3.23,-4.958294968420621
Clc1ccc(C2=NN=C[C@H]2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1,C39938120_decoy,GCR,Decoy,0,-6.26509,-6.52,-1.67,-4.280530070847185
Clc1ccc(N2CC[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC2)cc1,C39971923_decoy,GCR,Decoy,0,-11.431,-3.71,-1.29,-4.877435926342099
O=C1[NH+]=c2ccc(Br)cc2=C(c2ccccc2)[C@@H]1/N=C/c1c(F)cccc1Cl,C40140930_decoy,GCR,Decoy,0,-9.24854,-4.31,-2.69,-4.097590504560066
C=C1CC[C@@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH+]1CCC(C)CC1,C43737339_decoy,GCR,Decoy,0,-11.1532,-5.34,-1.92,-5.688084608265372
CC(=O)N(c1ccc(F)cc1)c1nc(C[NH+](C)C(c2ccccc2)c2ccccc2)cs1,C48303005_decoy,GCR,Decoy,0,-10.1245,-2.07,-4.81,-3.978798839535461
Cc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccnc(-c4ccc(C)cc4)c3)ccn2)cc1,C28707564_decoy,GCR,Decoy,0,-9.1118,-4.62,-2.96,-4.185600894731227
Cc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccnc(-c4cccc(C)c4)c3)ccn2)c1,C28707567_decoy,GCR,Decoy,0,-8.0135,-9.82,-4.17,-6.492115553473061
FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)N(C[C@@H]2CCCO2)C(C2CCCCC2)=[NH+]1,C21031795_decoy,GCR,Decoy,0,-6.26103,-4.48,-2.34,-3.787377756992896
O=C(O[C@@H](C(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1)c1c2ccccc2cc2ccccc12,C39946541_decoy,GCR,Decoy,0,-9.26884,-4.55,-4.34,-4.400958175530937
Fc1ccc(Br)cc1/C=N/N1C(=S)[NH+]=N[C@@H]1c1ccc(Cl)cc1Cl,C38925644_decoy,GCR,Decoy,0,-11.0316,-8.28,-1.03,-16.246333816042007
CSc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccccc2Br)cc1,C63697462_decoy,GCR,Decoy,0,-6.70937,-2.85,-2.13,-2.614086231014437
CCOc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc(Br)cc2)c1,C63697815_decoy,GCR,Decoy,0,-5.85468,-4.3,-1.54,-3.285219332169475
CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CSc2ccccc2)cc1,C63697938_decoy,GCR,Decoy,0,-10.5939,-4.25,-1.7,-5.039047971726324
COC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2,C02729057_decoy,GCR,Decoy,0,-12.2903,-0.05,-4.25,-5.642961891558608
COC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2,C02729056_decoy,GCR,Decoy,0,-12.2467,-5.37,-5.2,-6.232025742956734
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1,C02543150_decoy,GCR,Decoy,0,-9.27905,-4.62,-3.6,-4.231023850039926
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1,C04355222_decoy,GCR,Decoy,0,-6.85663,-8.77,-4.31,-4.47710910709558
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3c(Cl)cccc3Cl)cc2s1,C03094797_decoy,GCR,Decoy,0,-9.59245,-3.35,-4.25,-3.51680830322962
O[C@H](Cn1nnc2ccccc21)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21,C02083401_decoy,GCR,Decoy,0,-6.91155,-3.54,-3.65,-3.4332008505690434
CCn1c(SCC(=O)Nc2cccc3ccccc23)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,C02255473_decoy,GCR,Decoy,0,-11.2806,-5.06,-1.05,-5.905148021295162
CSc1nc(SCC(=O)Nc2ccccc2)c2sc3nc(C(C)C)c4c(c3c2n1)CCCC4,C02255965_decoy,GCR,Decoy,0,-10.0755,-3.48,-4.16,-4.424907076082196
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,C09876735_decoy,GCR,Decoy,0,-12.8457,-8.97,-3.68,-10.13782924879489
COc1ccc(SCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)cc1,C10032172_decoy,GCR,Decoy,0,-8.91587,-2.0,-3.38,-3.659420693238936
CCc1cc(Br)c2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1,C10119809_decoy,GCR,Decoy,0,-13.0786,-2.87,-2.37,-4.560118308503484
COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Br)cc32)cc1OC,C12486222_decoy,GCR,Decoy,0,-11.3638,0.24,-2.36,-4.7866484773063895
O=c1[nH]c(CSc2ncnc3sc(-c4ccccc4)cc23)nc2scc(-c3cccs3)c12,C02656836_decoy,GCR,Decoy,0,-11.4684,-4.63,-3.42,-4.951131811112075
Cc1cc(C)cc(NC(=O)[C@@H](Sc2nc3ccccc3c(=O)n2-c2ccccc2C)c2ccccc2)c1,C03302215_decoy,GCR,Decoy,0,-6.7854,-3.8,-3.25,-3.649893892717788
CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Br)cc1,C02366464_decoy,GCR,Decoy,0,-9.31196,-3.68,-2.35,-4.776521588119253
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549249_decoy,GCR,Decoy,0,-10.6211,-3.83,-3.97,-4.7526438804519335
CCCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S/C1=N\c1ccc(OCC)cc1,C17167146_decoy,GCR,Decoy,0,-10.9559,-2.53,-2.63,-4.384525511854279
O=C(NCCc1ccccc1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1,C20179526_decoy,GCR,Decoy,0,-11.3582,-5.19,-5.05,-5.8654063298119565
CCN(C(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@@H]1CC=C[C@@H]21)c1ccccc1,C20685470_decoy,GCR,Decoy,0,-6.66035,-2.52,-3.25,-2.920240001678935
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2,C20753484_decoy,GCR,Decoy,0,-6.57027,-3.17,-3.21,-3.2603052578071043
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1,C03092056_decoy,GCR,Decoy,0,-12.2251,-6.57,-1.82,-6.419466684484371
CCc1cccc(CC)c1NC(=O)CSc1nnc(SCc2c(Cl)cccc2Cl)s1,C32727409_decoy,GCR,Decoy,0,-11.9435,-8.23,-7.48,-9.089190615842035
CCc1cccc2c([C@H](CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3cccs3)c[nH]c12,C00696677_decoy,GCR,Decoy,0,-10.6533,-3.53,-1.17,-4.63792131446805
CC(C)n1c(SCCNC(=O)c2ccc3ccccc3c2)nc(-c2ccccc2)c1-c1ccccc1,C35689680_decoy,GCR,Decoy,0,-6.54042,-6.43,-3.59,-4.38760494174192
CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C(=O)NC(C)(C)C)c1cc2ccccc2c2ccccc12,C36536056_decoy,GCR,Decoy,0,-6.32541,-2.5,-3.54,-3.0740846135534654
CCCN(C(=O)Cc1ccc(Br)cc1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1C,C36567160_decoy,GCR,Decoy,0,-9.80061,-2.91,-4.15,-4.475972834934743
Cc1c(Cl)cccc1NC(=O)[C@@H](C)SC1=NC(=O)C2=C(c3ccc(C(C)C)cc3)CSC2=N1,C38785445_decoy,GCR,Decoy,0,-11.8901,-3.47,-1.79,-4.860485936721604
CCN1CCc2c(sc(NC(=O)CCCSc3ccc(C)cc3)c2-c2nc3ccccc3s2)C1,C36717082_decoy,GCR,Decoy,0,-12.272,-3.97,-5.14,-5.513782579952409
CCCN1CCc2c(sc(NC(=O)CCCSc3ccc(C)cc3)c2-c2nc3ccccc3s2)C1,C36717088_decoy,GCR,Decoy,0,-12.0777,-2.78,-3.74,-5.066590217445186
CCCN1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1,C36685702_decoy,GCR,Decoy,0,-12.6169,-4.83,-4.34,-6.003684584231001
CC1(C)[C@]2(C(=O)Nc3c(Cl)cccc3Cl)CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1)C2,C33960717_decoy,GCR,Decoy,0,-10.7745,-8.23,-2.51,-9.961807638603048
COC(=O)c1c(NC(=O)[C@@H](c2ccccc2)C(c2ccccc2)c2ccccc2)sc2c1CCCC2,C40840451_decoy,GCR,Decoy,0,-11.6869,-5.62,-3.75,-6.412336304287652
CCOC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3o2)sc2c1CC[C@H](C(C)(C)C)C2,C41007388_decoy,GCR,Decoy,0,-6.87541,-3.26,-4.97,-3.122750791506527
O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)NCCc1ccccc1,C03094829_decoy,GCR,Decoy,0,-13.2984,-5.38,-2.19,-5.927248713255183
CCC/C=C/[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(Br)cc1)c1ccccc1,C36607882_decoy,GCR,Decoy,0,-10.4319,-3.46,-3.74,-5.179454716069985
CCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4cccc5ccccc45)nn32)cc1,C22754089_decoy,GCR,Decoy,0,-7.27909,-6.86,-2.85,-4.557173825144042
C[C@H]1CCCC[C@H]1NC(=O)c1ccc(CSc2nc(-c3cccc(Br)c3)cs2)o1,C57308775_decoy,GCR,Decoy,0,-12.601,-4.61,-4.2,-6.109467132488533
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)c1,C20243621_decoy,GCR,Decoy,0,-11.8946,-6.49,-1.86,-6.889917974246867
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)c1,C20243647_decoy,GCR,Decoy,0,-11.8441,-6.07,-3.24,-6.501742985428121
O=C(CCCSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1,C58975629_decoy,GCR,Decoy,0,-12.5783,-9.13,-1.4,-10.88166710518732
C=CCc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc2ccccc2c1,C59198043_decoy,GCR,Decoy,0,-12.7703,-9.38,-2.07,-10.052555328982518
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1,C59201384_decoy,GCR,Decoy,0,-7.57672,-4.09,-4.57,-3.764648528280589
N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12,C59245189_decoy,GCR,Decoy,0,-9.79165,-5.1,-3.21,-5.014256093810513
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C(C)C)cc3)c3cc(Br)ccc32)c(C)c1,C59272846_decoy,GCR,Decoy,0,-10.1701,-3.02,-4.14,-4.342777441198282
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1,C59304013_decoy,GCR,Decoy,0,-10.3137,-7.4,-3.58,-6.2129357397018845
O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2OCc2ccccc2F)sc2c1CCCC2,C59306359_decoy,GCR,Decoy,0,-8.63647,-5.07,-3.68,-4.713377146517463
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C,C59336512_decoy,GCR,Decoy,0,-12.6035,-8.54,-4.73,-14.511056679209709
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1,C59383273_decoy,GCR,Decoy,0,-10.6394,-9.01,-2.64,-7.538732206716195
Cc1ccc2nc(-c3ccc(F)c(C)c3)c(CC(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)n2c1,C62039575_decoy,GCR,Decoy,0,-8.80884,-3.06,-2.83,-3.8831219206168472
O=C(CSC1=Nc2ccccc2N=C(c2cccs2)C1)Nc1ccc(Cl)cc1C(F)(F)F,C64775380_decoy,GCR,Decoy,0,-11.5755,-4.82,-29.73,-5.624979140259167
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)cc1Cl,C09234498_decoy,GCR,Decoy,0,-8.19147,-4.36,-1.23,-3.560219550068404
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)cc1,C09310424_decoy,GCR,Decoy,0,-8.14395,-1.88,-1.58,-3.254794453822401
O=C([O-])c1ccc(Br)c(S(=O)(=O)Oc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1,C13068180_decoy,GCR,Decoy,0,-10.0378,-4.85,-4.26,-4.83605263429684
CSc1ccc2cc(CSc3nnc(-c4ccc(Cl)cc4)n3CC(=O)[O-])c(Cl)nc2c1,C13280710_decoy,GCR,Decoy,0,-9.41449,-4.14,-4.57,-4.452322867445935
CC(C)(C)c1csc(-c2ccc(OS(=O)(=O)c3cc(C(=O)[O-])ccc3Br)cc2)n1,C13311557_decoy,GCR,Decoy,0,-11.5487,-3.94,-5.66,-4.698109068453219
O=C([O-])c1oc2ccccc2c1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1,C13414877_decoy,GCR,Decoy,0,-8.75286,-3.46,-1.78,-4.045891855331061
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1,C08741004_decoy,GCR,Decoy,0,-10.5721,-3.92,-2.99,-5.14964073968546
CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2Cl)no1,C09186652_decoy,GCR,Decoy,0,-9.78992,-2.49,-2.4,-3.9950161916181774
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1,C09271360_decoy,GCR,Decoy,0,-6.70847,-3.08,-2.6,-3.236031863991528
CCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1,C13550608_decoy,GCR,Decoy,0,-11.6774,-3.37,-2.43,-5.360082737654068
CCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)c1,C13550611_decoy,GCR,Decoy,0,-11.3894,-3.16,-4.92,-5.034559063216228
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1,C09374344_decoy,GCR,Decoy,0,-9.35619,-3.8,-3.26,-3.994840143075841
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1,C09357745_decoy,GCR,Decoy,0,-10.6928,-3.14,-3.76,-4.139048911453094
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3F)sc2c1,C09357589_decoy,GCR,Decoy,0,-10.329,-3.66,-3.74,-4.520174967196891
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccc(F)cc3)ccc2O1,C09358693_decoy,GCR,Decoy,0,-10.621,-2.83,-1.24,-3.9650142314339
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc([O-])c3ccccc3n2)cc1,C26779575_decoy,GCR,Decoy,0,-11.1494,-3.67,-3.88,-4.602436640510277
O=C(CSc1nc([O-])cc(-c2ccccc2)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C32521349_decoy,GCR,Decoy,0,-11.7771,-4.7,-4.46,-6.175275701345436
O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1)c1cc2ccccc2o1,C33430399_decoy,GCR,Decoy,0,-11.1784,5.09,-3.14,-2.357441340171417
CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1,C33481065_decoy,GCR,Decoy,0,-12.0191,-3.79,-4.36,-5.3064412372309215
CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)c1,C33534245_decoy,GCR,Decoy,0,-8.51647,-4.16,-4.57,-4.22203694081224
CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1,C33555673_decoy,GCR,Decoy,0,-9.94748,-3.07,-3.76,-4.40158321494979
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1,C33555675_decoy,GCR,Decoy,0,-8.11408,18.9,-4.99,3.610236980925325
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@@H]2c2cccs2)cc1,C34930140_decoy,GCR,Decoy,0,-11.8387,-2.34,-4.04,-4.772434770905686
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2ccccc2F)cc1,C34930335_decoy,GCR,Decoy,0,-9.89918,-4.99,-3.04,-5.207711017950426
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(N(C)C)cc2)cc1,C34931515_decoy,GCR,Decoy,0,-7.83587,-3.21,-5.03,-3.5095143103345974
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1,C34932382_decoy,GCR,Decoy,0,-8.02144,-4.53,-1.77,-4.247494150116353
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(N(C)C)cc3)sc2c1,C35263438_decoy,GCR,Decoy,0,-11.6875,-3.6,-18.84,-5.068997234562374
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C,C35420929_decoy,GCR,Decoy,0,-8.03113,-2.83,-4.24,-3.74732097318846
CCOc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,C35421429_decoy,GCR,Decoy,0,-8.57192,-2.61,-2.34,-3.752960305664233
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4sc(C)nc4C)[C@@H]3c3ccc(C(C)C)cc3)sc2c1,C35566440_decoy,GCR,Decoy,0,-7.48679,-3.32,-3.34,-3.403343372916829
Cc1c(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c([O-])n(C[C@H]2CCCO2)c(=O)c1C#N,C38618623_decoy,GCR,Decoy,0,-10.8159,-3.63,-5.22,-4.76895520310196
O=C1/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N=C([S-])N1C[C@H]1CCCO1,C39556971_decoy,GCR,Decoy,0,-12.4531,-1.57,-3.94,-4.212661067866069
O=C1N=C(/C(Cl)=C/c2ccc(C(=O)[O-])cc2)N=C2SCC(c3ccc(Br)cc3)=C12,C39715256_decoy,GCR,Decoy,0,-9.61703,-1.78,-4.13,-3.3143055763714835
O=C1/C(=C(Cc2ccccc2)\C([O-])=N\c2nc3ccccc3s2)SC(=S)N1Cc1ccccc1,C39793743_decoy,GCR,Decoy,0,-6.88994,-2.3,-5.44,-2.967742139324862
N#CC(=C\c1ccc(-c2cccc(Cl)c2)o1)/C([O-])=N/c1nnc(SCc2ccccc2Cl)s1,C39998206_decoy,GCR,Decoy,0,-13.5018,-3.61,-4.76,-5.962090306894132
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCc3ccccc3Cl)c2)[C@H]1c1cccc2ccccc12,C40030164_decoy,GCR,Decoy,0,-7.23592,-3.11,-2.7,-3.630870038400802
CCc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2[O-])o1,C58833484_decoy,GCR,Decoy,0,-10.2765,-4.22,-3.92,-4.30476924286075
O=C1N=C([O-])/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C1CCCCC1,C59109522_decoy,GCR,Decoy,0,-12.5134,0.21,-2.6,-4.563035220118788
O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C([O-])=NC(=S)N1c1ccccc1F,C59136051_decoy,GCR,Decoy,0,-12.1844,-10.44,-2.44,-9.789586200041072
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3[O-])c2C)cc1,C59198416_decoy,GCR,Decoy,0,-9.40536,-4.68,-3.44,-4.5073350820794245
Cc1ccc(COc2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=S)N=C3[O-])cc2)cc1,C59198567_decoy,GCR,Decoy,0,-11.1395,-3.95,-2.33,-5.095078804459314
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S\C1=N/c1ccc(OC)cc1,C59366139_decoy,GCR,Decoy,0,-7.99102,7.17,-4.13,-0.2737886944521352
CCOc1ccc(Br)cc1/C=C1/S/C(=N/c2ccc(Cl)c(C(=O)[O-])c2)N(C)C1=O,C34857437_decoy,GCR,Decoy,0,-10.2815,-2.7,-2.03,-4.217299606937917
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(Cl)c(OCC#N)c(Cl)c2)S\C1=N/c1ccc(Cl)cc1,C59437087_decoy,GCR,Decoy,0,-5.71367,-6.17,-3.08,-3.8912691438889455
CCCN(CCC)c1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2[O-])cc1,C59859607_decoy,GCR,Decoy,0,-11.4238,-4.1,-4.14,-5.950516753354207
CN(CCCl)c1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])cc1,C59859688_decoy,GCR,Decoy,0,-13.476,-5.0,-2.52,-6.430548239675992
CCn1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])c2ccccc21,C59862350_decoy,GCR,Decoy,0,-12.5953,-4.72,-4.27,-5.377881147818668
CCOc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1,C39730396_decoy,GCR,Decoy,0,-7.83761,-4.93,-3.48,-3.879631133281233
CCN(CC)c1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1,C39731372_decoy,GCR,Decoy,0,-9.40878,-3.39,-3.69,-4.396717563694216
CCN(CC)c1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)cc1,C39731380_decoy,GCR,Decoy,0,-11.2136,-2.95,-3.13,-4.919319602900751
CCc1ccc(C(=O)C[C@]2(O)C(=O)N(CC)c3ccc(Br)cc32)cc1,C04166194_decoy,GCR,Decoy,0,-9.86671,-4.59,-1.05,-5.115919364345444
N#Cc1c(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)sc2c1CCCCC2,C04833103_decoy,GCR,Decoy,0,-7.54185,-3.5,-0.97,-4.039936978501785
CCCCN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O,C02816976_decoy,GCR,Decoy,0,-9.7414,-6.55,-0.78,-7.358589583785637
CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1,C05172419_decoy,GCR,Decoy,0,-12.3247,-6.54,-1.74,-7.702073970670377
C[C@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1ccc(F)c(F)c1F,C05397550_decoy,GCR,Decoy,0,-9.86881,-8.8,-0.49,-8.945889914959174
Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c2c(C)c(C)sc2n1,C05429110_decoy,GCR,Decoy,0,-9.32759,-8.88,-2.39,-8.679616151323009
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1CCCCC1,C01181100_decoy,GCR,Decoy,0,-11.5272,-7.93,-3.04,-8.68415249570393
COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(F)(F)F,C02767274_decoy,GCR,Decoy,0,-9.37786,-2.53,-0.77,-3.928848074414753
C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2cc(Br)ccc21,C00783829_decoy,GCR,Decoy,0,-10.739,-8.21,-2.05,-9.750517724604412
Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1Cl,C02940587_decoy,GCR,Decoy,0,-9.54269,-7.29,-1.12,-7.947913537818823
O=C(NC1CCCCC1)c1ccc(C[S@+]([O-])c2ccc(Br)cc2)o1,C06772139_decoy,GCR,Decoy,0,-10.2495,-5.6,-1.39,-5.692263522572395
Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)CC1=O,C08217277_decoy,GCR,Decoy,0,-10.3234,-5.03,-1.19,-5.243703228178587
Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cc(Br)ccc2F)cc1,C08374405_decoy,GCR,Decoy,0,-8.82382,-8.09,-4.57,-6.917621065690092
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1,C01183397_decoy,GCR,Decoy,0,-9.76827,-3.45,-0.82,-4.469165973668693
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(Cl)c1,C08765621_decoy,GCR,Decoy,0,-10.1613,-3.69,-1.05,-4.327487972694357
CCN1C(=O)[C@@](O)(CC(=O)C23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc21,C08921918_decoy,GCR,Decoy,0,-11.0006,-4.04,-3.08,-5.048202929776672
O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1CSc1nc2ccccc2o1,C09671522_decoy,GCR,Decoy,0,-10.0276,-8.81,-2.92,-10.53391696059788
Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccs3)c3ccccc32)c(C)c1,C09926014_decoy,GCR,Decoy,0,-10.4643,-9.82,-3.56,-9.206565513909917
Cc1cc(Br)c(NC(=O)COC(=O)C2CCC2)c(Br)c1,C10809040_decoy,GCR,Decoy,0,-9.46021,-7.1,-4.4,-8.9227977946725
O=C(NCCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1F,C13002991_decoy,GCR,Decoy,0,-10.4102,-9.09,-1.5,-9.611655763825397
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2,C14455827_decoy,GCR,Decoy,0,-10.8929,-2.81,-3.75,-4.079654386117879
O=c1c(Cl)c(NCCc2ccc(Br)s2)cnn1-c1ccccc1,C14808929_decoy,GCR,Decoy,0,-9.93225,-8.04,-2.51,-7.965585827636649
N#CCOc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1,C14862783_decoy,GCR,Decoy,0,-9.53446,-3.07,-0.57,-4.606039892308064
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)c1C,C15008009_decoy,GCR,Decoy,0,-9.56808,-4.13,-1.21,-4.751229094290391
Brc1ccc(NCc2nnc(-c3ccccc3Br)o2)cc1,C15376480_decoy,GCR,Decoy,0,-9.04487,-9.27,-2.38,-8.003442881496966
O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2ccc(Br)cc2)c1=O,C15882897_decoy,GCR,Decoy,0,-10.3471,-2.73,-5.23,-4.042739377057755
O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccc(Br)cc2)c1=O,C15882898_decoy,GCR,Decoy,0,-9.67884,-9.38,-0.88,-8.492120288009446
C/C(=N\NC(=O)[C@H](C)Sc1ccccn1)c1ccc(I)cc1,C16322109_decoy,GCR,Decoy,0,-9.33654,-7.43,-1.05,-7.943008230043699
C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1cccc(C(F)(F)F)c1,C18086646_decoy,GCR,Decoy,0,-9.4715,-7.45,-4.71,-7.288525475578855
N#Cc1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(Cc1ccccc1)C2,C19942274_decoy,GCR,Decoy,0,-11.6017,-3.71,-0.89,-4.998717225841029
O=C(CN1CCOCC1)Nc1ccc(Sc2ccc(Br)cc2)cc1,C23750206_decoy,GCR,Decoy,0,-11.7452,-3.55,-1.71,-4.827334870836061
CSc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1,C24356227_decoy,GCR,Decoy,0,-10.1551,-3.39,-1.1,-4.790386656210224
O=C(CSc1ccc(F)cc1F)NC1(c2ccc3c(c2)OCCO3)CCCC1,C24711783_decoy,GCR,Decoy,0,-9.58112,-4.12,-1.79,-4.499914128048106
C#CCNC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(Br)cc3)sc12,C27001857_decoy,GCR,Decoy,0,-11.0783,-8.83,-2.54,-10.313173107205085
O=C(/C=C/c1ccccc1Br)NCC1(N2CCOCC2)CCCCC1,C29968763_decoy,GCR,Decoy,0,-10.6329,-4.23,-2.0,-5.101352613366263
C[C@H](NC(=O)/C=C/c1ccccc1Br)c1ccc2c(c1)OCCCO2,C31774265_decoy,GCR,Decoy,0,-5.95821,-4.51,-1.1,-3.0687658381041976
Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(Br)c3)cs2)o1,C32816664_decoy,GCR,Decoy,0,-10.5711,-7.45,-4.35,-10.095255236059517
Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3)c(C)s2)cs1,C33308390_decoy,GCR,Decoy,0,-12.2993,-3.81,-2.24,-4.979408402582904
CS[C@H]1CC[C@@]2(C1)C[C@H](c1ccccc1O)CN2S(=O)(=O)c1ccccc1,C39507971_decoy,GCR,Decoy,0,-9.49492,-3.74,-0.79,-4.325424593944867
O=C1CCS[C@H]2CCCC[C@]2(C(=O)NC2CCCCC2)N1Cc1cccs1,C39931254_decoy,GCR,Decoy,0,-10.2265,-5.08,-2.86,-12.072391450001016
O=C(NC1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1)C1CC1,C46718463_decoy,GCR,Decoy,0,-10.3926,-3.39,-1.15,-4.965254449780189
CC(C)C(=O)N1[C@@H](c2ccccc2Cl)SC[C@H]1C(=O)Nc1ccccc1F,C05100226_decoy,GCR,Decoy,0,-9.35133,-4.5,-1.61,-4.745013267812744
CC(C)C(=O)N1[C@@H](C(=O)Nc2ccccc2F)CS[C@@H]1c1ccccc1Cl,C05100227_decoy,GCR,Decoy,0,-9.34693,-3.6,-2.41,-4.256023434902975
CC(C)C(=O)N1[C@@H](C(=O)Nc2ccccc2F)CS[C@H]1c1ccccc1Cl,C05100230_decoy,GCR,Decoy,0,-9.45301,-3.57,-2.29,-4.444525627592998
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1,C09445084_decoy,GCR,Decoy,0,-11.0742,-3.78,-1.26,-4.596298846089281
CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)c1,C01441550_decoy,GCR,Decoy,0,-10.0385,-5.48,-2.18,-5.423417745962294
O=C(NC1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1)c1ccsc1,C60020842_decoy,GCR,Decoy,0,-11.4979,-5.95,-1.68,-7.401278821359047
O=C(NCCc1cc(F)cc(F)c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1,C60310278_decoy,GCR,Decoy,0,-9.85091,-6.01,-2.77,-5.477250974484254
CC(C)N/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1,C18113349_decoy,GCR,Decoy,0,-9.78823,-8.35,-1.97,-16.80577849427649
O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NC1CCC(C(F)(F)F)CC1,C65610890_decoy,GCR,Decoy,0,-8.79675,-2.91,-1.47,-3.762034385535221
CC(C)N(C(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C,C01732734_decoy,GCR,Decoy,0,-10.7338,-7.02,-1.31,-13.996020531320264
Cc1sc(/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccc(Br)cc1,C09058926_decoy,GCR,Decoy,0,-11.2787,-2.78,-1.47,-4.464596148096365
CC(C)[C@@H]1Cc2c(sc3nc(-c4ccccc4)nc(SCc4ccccc4)c23)CO1,C02215076_decoy,GCR,Decoy,0,-10.2908,-5.65,-2.36,-5.388677140513354
N#Cc1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c2c1CCCC2,C09158023_decoy,GCR,Decoy,0,-11.9167,-4.54,-4.21,-5.162114345457985
O=C(C(=O)c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1,C02304154_decoy,GCR,Decoy,0,-10.1288,-2.34,-1.79,-3.847968334638274
O=C1CS[C@@H](c2ccc(Br)s2)N1c1ccc(Oc2ccc(Cl)cc2)cc1,C02947487_decoy,GCR,Decoy,0,-10.3693,-3.94,-1.35,-5.670343618944153
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1,C12250106_decoy,GCR,Decoy,0,-10.9813,-4.1,-1.98,-7.707160079676905
O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1cccc2ccccc12,C03166764_decoy,GCR,Decoy,0,-10.2456,-4.02,-0.76,-4.477225227778817
Sc1nc(-c2ccc(I)cc2)cn1-c1cccc2ccccc12,C05313486_decoy,GCR,Decoy,0,-11.6052,-4.17,-0.92,-4.681177902970508
O=C(c1ccc(F)cc1)c1ccc(C#Cc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1,C02310223_decoy,GCR,Decoy,0,-9.67203,4.13,-5.83,-1.9706574870019
Cc1cc(C)cc(OC(=O)COc2c(C)cc(Br)cc2Br)c1,C14777793_decoy,GCR,Decoy,0,-9.88585,-8.17,-3.05,-8.908959168577098
Fc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Br)c1,C15636979_decoy,GCR,Decoy,0,-11.4627,-4.91,-2.89,-5.260575961950624
O=C(/C(=C\c1ccccc1I)c1nc2ccccc2s1)c1ccccc1,C15685110_decoy,GCR,Decoy,0,-10.6609,-3.47,-2.3,-4.478273766907096
BrCC(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1,C15775343_decoy,GCR,Decoy,0,-10.4875,-7.72,-1.2,-11.0453932042093
Brc1ccc(OCCSc2ncnc3sc4c(c23)CCCC4)cc1,C03336709_decoy,GCR,Decoy,0,-9.5654,-8.49,-2.5,-9.216306640367012
COC1(OC)[C@]2(Cl)C[C@@H](CC#CC(C)(C)Br)[C@@]1(Cl)C(Cl)=C2Cl,C16322607_decoy,GCR,Decoy,0,-10.9849,-7.37,-1.28,-8.792119905910507
N#CC(C#N)=C/C=C(\Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1,C02572977_decoy,GCR,Decoy,0,-7.91774,-9.07,-4.62,-9.274566771788574
O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Br)cc1,C16400592_decoy,GCR,Decoy,0,-12.1701,-7.91,-1.26,-9.547453071629912
O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc(Cl)c(Cl)c1,C16492545_decoy,GCR,Decoy,0,-10.7572,-9.06,-1.04,-8.922670858464903
Clc1ccc([C@@H](CCc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1,C17108790_decoy,GCR,Decoy,0,-10.7092,-6.98,-2.23,-8.861994876449685
CO[C@@H]1C=CC[C@@]2(c3ccccc3)C(=O)C(c3ccccc3)=C(c3ccccc3)[C@@]12c1ccccc1,C19910426_decoy,GCR,Decoy,0,-4.9402,-3.29,-1.9,-2.351815373083366
Cc1ccc(Sc2cc3cc(Br)cc(Br)c3oc2=O)cc1,C19925347_decoy,GCR,Decoy,0,-9.46174,-7.94,-1.72,-7.407332701290923
CCc1sc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Br,C02807255_decoy,GCR,Decoy,0,-7.32216,-4.33,-2.57,-3.287006157747273
CN1C(=S)S[C@@H](c2ccc(Br)cc2)N(C)[C@H]1c1ccc(Br)cc1,C15081035_decoy,GCR,Decoy,0,-8.79778,-2.42,-1.32,-4.413592036114277
O=C(Cn1cc(SCc2ccc(Cl)c(Cl)c2)c2ccccc21)N1CCCCC1,C21728316_decoy,GCR,Decoy,0,-11.5269,-8.16,,99.0
O=C(/C=C(\c1nc2ccccc2s1)c1ccccc1I)c1ccccc1,C32620243_decoy,GCR,Decoy,0,-10.2235,-4.01,-3.97,-4.4006019366074405
Cn1/c(=N/C(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)sc2ccccc21,C18270676_decoy,GCR,Decoy,0,-10.6868,-4.13,-2.8,-4.39272014186492
CCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(Cl)cc(Cl)c21,C34701026_decoy,GCR,Decoy,0,-11.3741,-3.53,-0.55,-4.836531018958764
CCOc1cc(CCl)cc(Br)c1OCc1ccc(Br)s1,C36825218_decoy,GCR,Decoy,0,-10.9073,-7.15,-1.09,-9.05773472748835
C[C@@H](Cl)c1nc2cc(Br)ccc2n1-c1cccc(I)c1,C36910569_decoy,GCR,Decoy,0,-9.76647,-5.95,-0.75,-7.4576816090597795
ClCCc1nc2cc(Br)ccc2n1-c1ccc(Br)cc1Cl,C36911475_decoy,GCR,Decoy,0,-10.7443,-6.68,-0.59,-8.262757403307367
CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1,C39354316_decoy,GCR,Decoy,0,-11.0169,-3.57,-3.74,-4.685059871319233
Ic1cnc2cc(Cc3ccccc3)cc(Cc3ccccc3)n12,C39459552_decoy,GCR,Decoy,0,-8.92997,-7.58,-1.75,-7.277942224615678
Ic1cnc2cc(Cc3ccccc3)cc(I)n12,C39459650_decoy,GCR,Decoy,0,-9.2944,-6.98,-1.07,-9.503099913492884
CO[C@H]1C=CC[C@@]2(c3ccccc3)C(=O)C(c3ccccc3)=C(c3ccccc3)[C@]12c1ccccc1,C39580724_decoy,GCR,Decoy,0,-5.27746,-2.46,-2.16,-2.430752243576314
CO[C@@H]1C=CC[C@]2(c3ccccc3)C(=O)C(c3ccccc3)=C(c3ccccc3)[C@]12c1ccccc1,C39580726_decoy,GCR,Decoy,0,-9.57758,-3.25,-2.77,-4.127562058877619
CC(C)Sc1ccc(C(=O)/N=c2/sc3cc(Br)ccc3n2C)cc1,C39735225_decoy,GCR,Decoy,0,-11.1454,-1.78,-0.83,-3.885381960294131
CCn1/c(=N/C(=O)CCSc2ccc(Cl)cc2)sc2c(Cl)ccc(C)c21,C39736496_decoy,GCR,Decoy,0,-11.1583,-7.12,-2.26,-8.759128198127666
CCCCc1ccc(N2C(=O)/C(=C(\C)c3ccc(Br)cc3)SC2=S)cc1,C39859101_decoy,GCR,Decoy,0,-11.84,3.55,-0.53,-2.987803849468828
ClC1(Cl)C[C@H]1Cn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21,C39907342_decoy,GCR,Decoy,0,-11.2504,-4.58,-3.32,-5.475189735482334
ClC1(Cl)C[C@H]1Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21,C39907343_decoy,GCR,Decoy,0,-10.9552,-8.63,-3.08,-10.36980765962181
Brc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2Br)cc1,C02147014_decoy,GCR,Decoy,0,-10.6836,-2.84,-1.14,-4.566718685442377
Cc1cc(-c2ccccc2)cc(/C=C\c2ccc(/C=C\c3cc(-c4ccccc4)cc(C)[o+]3)cc2)[o+]1,C35351943_decoy,GCR,Decoy,0,-6.38292,-4.6,-4.32,-3.300483774463338
O=c1c2c(nc(SCc3ccccc3F)n1-c1ccccc1)-c1ccccc1CC21CCCC1,C40036657_decoy,GCR,Decoy,0,-6.21262,-3.7,-2.82,-2.704947397226753
Brc1cccc(/C=N/c2ccc(/N=C/c3cccc(Br)c3)cc2)c1,C18084522_decoy,GCR,Decoy,0,-10.566,-2.58,-1.42,-4.406373783086942
CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1,C59104094_decoy,GCR,Decoy,0,-9.87592,-3.86,-0.86,-4.81045599214822
CCCCc1ccc(/N=C/c2cc(Br)c(I)o2)cc1,C59105075_decoy,GCR,Decoy,0,-9.85446,-4.63,-2.21,-5.594964987567189
Cc1cc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1F,C59250015_decoy,GCR,Decoy,0,-9.09797,-4.91,-1.82,-5.091265897229978
Clc1ccc(Sc2oc(/C=N/c3cccc(Cl)c3)cc2Br)cc1,C59303379_decoy,GCR,Decoy,0,-10.1829,-3.54,-2.37,-4.505109645917718
Brc1ccc(-n2cccc2/C=N/c2cccc(I)c2)cc1,C59303541_decoy,GCR,Decoy,0,-9.28863,-6.4,-1.3,-5.7246266537432
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)Nc1ccc(Cl)cc1,C02379902_decoy,GCR,Decoy,0,-9.3817,-8.43,-3.95,-10.415767969200347
CCc1cccc(C)c1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1,C00638133_decoy,GCR,Decoy,0,-10.2998,-3.9,-3.35,-5.022151928741417
CC(C)(C)[C@@H]1CCc2c(sc3nnn(CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(=O)c23)C1,C06166757_decoy,GCR,Decoy,0,-6.54082,-2.94,-1.8,-3.054723094687992
Cc1c(C(=O)Nc2ccc(Br)cc2F)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12,C03047898_decoy,GCR,Decoy,0,-12.0723,-4.53,-1.44,-5.496131936227853
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(Br)o1,C00708653_decoy,GCR,Decoy,0,-11.3566,-3.09,-4.17,-4.924462833919304
CCc1nc2ccccc2nc1N1CCN(C(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,C01027753_decoy,GCR,Decoy,0,-11.1174,-8.57,-2.57,-8.331525349079142
COc1ccc(-c2csc(N3N=C(c4ccc(Br)cc4)C[C@]3(O)C(F)(F)F)n2)cc1,C08711526_decoy,GCR,Decoy,0,-10.693,3.59,-1.18,-2.5154417601939514
O=C(N[C@H]1CCCc2ccccc21)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1,C08911843_decoy,GCR,Decoy,0,-8.05576,-3.29,-3.7,-3.1250212460258733
Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c2ccc(N(C)C)cc2)cc1,C09080257_decoy,GCR,Decoy,0,-11.2834,2.33,-3.81,-3.47107180338042
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OC(C)C,C09204778_decoy,GCR,Decoy,0,-11.6117,-8.13,-2.85,-13.297954575049364
O=c1[nH]c(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2sc3c(c12)CCCC3,C02645733_decoy,GCR,Decoy,0,-9.06937,-3.11,-0.72,-3.4431326535216087
O=C(CCCn1c(SCc2ccccc2Cl)nc2c(sc3ccccc32)c1=O)NC1CCCC1,C09938814_decoy,GCR,Decoy,0,-10.0897,-4.29,-2.31,-5.348450786014037
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCCN4S(=O)(=O)c4cccs4)cc3)sc2c1,C10775971_decoy,GCR,Decoy,0,-10.2617,-4.67,-3.21,-4.950476025606381
O=C(CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1)NCc1cccs1,C11019043_decoy,GCR,Decoy,0,-11.1304,-3.47,,99.0
Cc1cc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c(C)cc1Br,C12319060_decoy,GCR,Decoy,0,-7.43245,-2.85,-2.64,-1.4817827711496945
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccc(SC(F)F)cc1,C12538327_decoy,GCR,Decoy,0,-10.8807,1.79,-3.07,-4.561596822679344
CC(=O)Nc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1Sc1ccc(Cl)cc1,C08813846_decoy,GCR,Decoy,0,-12.1278,-2.63,-4.86,-4.749615927694871
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc2c1CCCC2,C02197765_decoy,GCR,Decoy,0,-12.1752,-5.49,-2.06,-9.751877659412306
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2C)cc1,C13677912_decoy,GCR,Decoy,0,-7.94805,-3.76,-3.71,-3.716853569223191
O=C(Nc1ccccc1SCc1ccsc1)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12,C15720417_decoy,GCR,Decoy,0,-11.9089,-5.45,-4.3,-5.962415189993912
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12,C16038441_decoy,GCR,Decoy,0,-5.73106,-5.81,-2.57,-3.9129744587692814
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2cccc3ccccc23)c2ccccc12,C02252202_decoy,GCR,Decoy,0,-12.1548,-3.32,-3.36,-4.486648044787
O=C(NCc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@+]2[O-],C20242496_decoy,GCR,Decoy,0,-6.09139,-4.98,-5.06,-3.430152696948112
Cc1nc(SCC(=O)Nc2ccccc2F)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1,C20294586_decoy,GCR,Decoy,0,-13.3232,-9.79,-3.08,-9.95376783238461
O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Cl)c(Cl)c1,C20499132_decoy,GCR,Decoy,0,-6.844,-1.88,-2.53,-2.524986028944851
C[C@@H]1CCc2c(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3C)csc2C1,C20572176_decoy,GCR,Decoy,0,-10.9583,-4.47,-3.4,-4.990026559911646
CCN1CCc2c(sc(NC(=O)CCSc3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1,C20779801_decoy,GCR,Decoy,0,-7.51391,-2.48,-3.51,-3.811379377114572
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3F)nn1[C@H]2c1ccc(Cl)cc1Cl,C20850478_decoy,GCR,Decoy,0,-7.77708,-1.89,-2.12,-2.669121278034312
C[C@@H](Sc1nc2sccc2c(=O)n1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1,C23591801_decoy,GCR,Decoy,0,-11.1234,-4.48,-0.67,-5.566106484964051
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1Br,C30742724_decoy,GCR,Decoy,0,-12.8984,-8.64,-4.47,-9.992849830147806
O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2F)CC1)c1ccc(Br)cc1,C30825942_decoy,GCR,Decoy,0,-6.26883,-3.35,-3.57,-2.8236084032902875
O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1)C(c1ccccc1)c1ccccc1,C30827693_decoy,GCR,Decoy,0,-6.45619,-1.67,-1.53,-2.819867041808652
O=C(CSC(=S)N1CCCCCC1)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1,C32700292_decoy,GCR,Decoy,0,-13.0915,-5.53,-1.81,-8.742585016755392
CC(C)NC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(SCc3c(F)cccc3Cl)nc2c1,C33074245_decoy,GCR,Decoy,0,-9.59099,-3.04,-4.6,-4.63172212801395
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)COc1ccc(Cl)c(C)c1,C01944125_decoy,GCR,Decoy,0,-12.7254,-6.76,-2.6,-7.927522005552951
Cc1ccc(CN(C(=O)Cc2ccc(Br)cc2)[C@@H](C(=O)NC(C)(C)C)C2CCCCC2)o1,C36595142_decoy,GCR,Decoy,0,-11.5773,-3.74,-3.23,-5.570703752135565
O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c3c(sc21)CCCC3)Nc1ccc(F)cc1,C39849961_decoy,GCR,Decoy,0,-6.77299,-5.82,-2.96,-4.388943519545248
CC(C)c1ccc(N2C(=O)[C@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)NCc2ccccc2)cc1,C39896076_decoy,GCR,Decoy,0,-10.7252,-3.28,-4.5,-4.524539776091257
CCc1ccc(N2C(=O)[C@@H](Cc3ccccc3F)S/C2=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1,C39896587_decoy,GCR,Decoy,0,-9.14774,-2.09,-2.73,-5.220496295765399
Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2,C40822629_decoy,GCR,Decoy,0,-7.97431,-3.1,-3.35,-3.4065956604411767
CCc1ccc(-c2csc(NC(=O)/C=C/c3cc(Br)ccc3OC)c2C(=O)OC)cc1,C41018233_decoy,GCR,Decoy,0,-10.4615,24.72,-5.0,4.839659136794132
O=C(c1cccs1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12,C43727097_decoy,GCR,Decoy,0,-8.31289,-4.7,-3.68,-4.2132477498558805
O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN12,C13749965_decoy,GCR,Decoy,0,-3.7955,-5.31,-2.51,-2.5605124571320794
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nn1[C@H]2c1c(F)cccc1Cl,C54622915_decoy,GCR,Decoy,0,-8.89288,-3.0,-2.41,-3.6334295110682193
Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc3ccccc23)o1,C34690858_decoy,GCR,Decoy,0,-9.93699,-8.78,-2.39,-7.749561656735249
C=CCn1c(CCc2ccc(I)cc2)nnc1SCc1nc2ccc(C)cc2[nH]1,C59265403_decoy,GCR,Decoy,0,-12.5498,-8.33,-1.83,-9.128972095318735
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F,C59335595_decoy,GCR,Decoy,0,-7.42166,-3.05,-3.75,-3.744215001617291
CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1[C@H](c1ccccc1Cl)c1c(C)[nH]n(-c2ccc(C)cc2)c1=O,C17751520_decoy,GCR,Decoy,0,-7.48272,-3.97,-2.5,-3.8443268229389016
O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccc2c(Cl)cccc12,C59724168_decoy,GCR,Decoy,0,-11.4349,-3.8,-2.2,-5.421291298665705
Cc1ccc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3C)c(=O)c3sccc32)c(Br)c1,C67218536_decoy,GCR,Decoy,0,-4.96651,-5.31,-3.55,-3.3865609247166257
O=C(CCCc1cn(C[NH+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc12)N1CCCCC1,C08765098_decoy,GCR,Decoy,0,-11.1489,-4.09,-3.57,-4.834805873766294
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[NH+]2[C@@H]3C(=O)c2ccc3c(c2)OCO3)cc1,C09185508_decoy,GCR,Decoy,0,-6.32332,-3.02,-0.9,-2.5340606601824183
C[NH+](C)CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1nc2c(Cl)cccc2s1,C09505556_decoy,GCR,Decoy,0,-11.8743,-3.49,-2.61,-5.138853800224626
Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc2c1,C09505595_decoy,GCR,Decoy,0,-10.9923,-2.61,-2.95,-4.753951488054327
C[C@@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1-c1ccc(Cl)cc1)[NH+](C)C,C09662066_decoy,GCR,Decoy,0,-11.0912,-3.46,-3.84,-4.766791190858885
CCOc1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)c3cc(Cl)sc3Cl)sc2c1,C10046763_decoy,GCR,Decoy,0,-11.3662,-2.71,-3.38,-5.049625850771404
C[NH+](C)CCN(C(=O)c1ccccc1I)c1nc2cc3c(cc2s1)OCCO3,C10066030_decoy,GCR,Decoy,0,-10.5257,1.88,-3.47,-3.331131668362172
CC[NH+](CC)CCN(C(=O)c1ccc(Br)cc1)c1nc2cc3c(cc2s1)OCO3,C10066841_decoy,GCR,Decoy,0,-10.7357,-1.64,-2.59,-6.517991222577666
C[NH+](C)CCCN(C(=O)c1ccccc1Br)c1nc2cc3c(cc2s1)OCCO3,C10068196_decoy,GCR,Decoy,0,-10.9378,0.93,-3.22,-3.8779229940841327
Cc1ccc(Cl)c2sc(N(CC[NH+]3CCOCC3)C(=O)COc3ccc(Cl)cc3)nc12,C10127321_decoy,GCR,Decoy,0,-10.153,-4.35,-3.02,-5.212848762044031
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1,C10751380_decoy,GCR,Decoy,0,-9.70242,-3.07,-1.81,-4.709597171294766
Cc1cc(Cl)cc2sc(N(CC[NH+]3CCOCC3)C(=O)COc3ccc(Cl)cc3)nc12,C10785499_decoy,GCR,Decoy,0,-9.63404,-4.37,-2.86,-4.9952378324254685
O=C([C@@H]1CC12CCN(C(=O)C1(c3ccccc3)CCCCC1)CC2)N1CCN(c2cccc[nH+]2)CC1,C12158839_decoy,GCR,Decoy,0,-10.8835,-3.08,-2.0,-4.732243345954746
Cc1cccc(-c2nc3cc4c(cc3cc2CN(CC[NH+](C)C)C(=O)c2cc(C)nn2C)CCC4)c1,C12243302_decoy,GCR,Decoy,0,-7.41136,-4.32,-4.99,-4.032850544574999
c1ccc(-c2csc3nc(C[NH+]4CCCCC4)nc(Sc4nnc(-c5cccnc5)o4)c23)cc1,C12863578_decoy,GCR,Decoy,0,-6.837,-4.77,-1.7,-3.554279067518717
C[NH+](C)CCCn1c(-c2ccccc2)c(-c2ccccc2)c2c1ncn1nc(-c3ccncc3)nc21,C13575583_decoy,GCR,Decoy,0,-10.1764,-6.17,-2.07,-12.123346593547808
CSc1ncc(C[NH+]2CCc3c(cc(-c4cccc5nc(C)ccc45)c(=O)n3CC3CC3)C2)cn1,C14539480_decoy,GCR,Decoy,0,-6.81975,-3.38,-3.14,-3.160515426739712
Cc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH+]c2N2CCOCC2)CCC4)cc1,C14888655_decoy,GCR,Decoy,0,-8.12501,-3.73,-3.52,-4.051353463771349
O=C([C@@H]1CC12CC[NH+](Cc1cccc3c1OCO3)CC2)N1CCN(C/C=C/c2ccccc2)CC1,C20452934_decoy,GCR,Decoy,0,-12.0624,-4.48,-2.1,-5.593505534692884
Cn1cc(C[NH+]2C[C@@H]3C[C@H](C2)c2ccc(-c4ccccc4CN4CCOCC4)c(=O)n2C3)c2ccccc21,C20503636_decoy,GCR,Decoy,0,-10.3441,0.6,-4.52,-3.96023711721653
Cc1ccc2c(c1)N(C(=O)CSc1nc3ccsc3c(=O)n1CCC[NH+]1CCCCC1)CCO2,C20562041_decoy,GCR,Decoy,0,-6.22977,-4.59,-5.35,-3.314069438687933
CC(C)CC[NH+]1CCN(c2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)CC1,C32932684_decoy,GCR,Decoy,0,-12.6675,-2.53,-3.9,-4.693458552409213
Cc1ccc(C)c(Cn2c(N3CC[NH+](CC(=O)N4CCCC4)CC3)nc3sc(C)c(C)c3c2=O)c1,C34748760_decoy,GCR,Decoy,0,-7.24627,-4.38,-4.32,-3.913773276476249
CCCSc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2c3c(sc2n1)CCCC3,C34755979_decoy,GCR,Decoy,0,-11.2219,-3.52,-3.62,-5.235530133847679
CCC[NH+]1CCN(c2nc(SCC(=O)N3CCOCC3)nc3sc4c(c23)CCCC4)CC1,C34756657_decoy,GCR,Decoy,0,-11.2266,-5.15,-3.93,-5.226657974652306
C=C(C)CSc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2c3c(sc2n1)CCC3,C34757231_decoy,GCR,Decoy,0,-11.0845,-4.67,-4.05,-5.3505405962803865
CCc1c(C)sc2nc(SCC(=O)N3CCCCC3)nc(N3CC[NH+](CC(C)C)CC3)c12,C34762550_decoy,GCR,Decoy,0,-10.7719,-2.37,-3.99,-4.527789061128244
Cc1ccccc1[C@@H]1c2ccsc2CC[NH+]1CCC(=O)N1CCN(C(=O)c2ccco2)[C@H](C)C1,C34830264_decoy,GCR,Decoy,0,-6.62293,-3.54,-4.71,-3.355739400445374
CC[C@H](c1nc2ccccc2c(=O)n1CCOC)[NH+]1CCN(C(=O)c2ccc3ccccc3c2)[C@H](C)C1,C35033724_decoy,GCR,Decoy,0,-7.71927,-3.38,-3.54,-3.691607217811741
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCn4cccc4[C@@H]3c3ccccc3F)o2)C1,C35846125_decoy,GCR,Decoy,0,-11.6945,-4.45,-3.24,-5.767900579729063
C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n23)CC[NH+]1Cc1cccn1C,C35890520_decoy,GCR,Decoy,0,-7.0124,-2.77,-1.86,-2.6889587545497715
C[C@H](c1ccccc1)[NH+](Cc1ccc(Cl)c(Cl)c1)Cc1nc(C(=O)N2CCOCC2)co1,C36083107_decoy,GCR,Decoy,0,-9.96357,-3.44,-1.48,-4.795650535512209
CCN(C)c1nc(N2CCN(c3ccc(C)cc3)CC2)[nH+]c2c1CN(C(=O)c1cccc(C)c1)CC2,C34676599_decoy,GCR,Decoy,0,-11.4707,-3.03,-3.5,-4.81636681600534
Cc1ccccc1C(=O)N1CCc2[nH+]c(N3CCN(c4ccccc4F)CC3)nc(N(C)C)c2C1,C34678710_decoy,GCR,Decoy,0,-10.8025,-3.67,-3.68,-4.616553641888532
C[NH+](C)CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccc(Br)cc2s1,C36640791_decoy,GCR,Decoy,0,-11.0448,-7.1,-2.44,-8.630877582738629
C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccc(Br)cc2s1,C36645097_decoy,GCR,Decoy,0,-9.85513,-6.69,-3.82,-8.274382715154621
O=C([C@@H]1CCC[NH+](Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C38852645_decoy,GCR,Decoy,0,-13.0782,-3.51,-2.78,-5.351910432979265
Cc1cc(C)c(S(=O)(=O)N(Cc2cccs2)C[C@@H]2C=c3cc4c(cc3=[NH+]C2=O)OCCO4)c(C)c1,C39324964_decoy,GCR,Decoy,0,-12.3173,-2.39,-2.49,-4.860918390654651
Cc1ccc2nsnc2c1S(=O)(=O)N(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)C1CCCCC1,C39325572_decoy,GCR,Decoy,0,-7.52081,-3.83,-3.64,-3.750779159532241
CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N1CC[NH+](C34CC5CC(CC(C5)C3)C4)CC1)C2,C23251607_decoy,GCR,Decoy,0,-7.41136,-3.2,-3.04,-3.393865338289615
CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C[C@H]1C=NN=C1c1ccccc1)CC2,C39344732_decoy,GCR,Decoy,0,-7.49811,-3.17,-2.93,-3.335040521756754
CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H](N1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)CC2,C23353462_decoy,GCR,Decoy,0,-6.60009,-4.47,-3.05,-3.622385021883633
CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Br)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1F,C39359630_decoy,GCR,Decoy,0,-8.62471,-5.01,-1.38,-4.288036837830036
CC(C)c1nc(-c2ccc(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)c(F)c2)no1,C40901625_decoy,GCR,Decoy,0,-12.3502,-3.87,-3.44,-4.947203205556806
Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)o2)cc1,C40946829_decoy,GCR,Decoy,0,-7.0072,-4.3,-2.67,-3.4263759062818564
Cc1cccc(-c2nnc(C[NH+]3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)CC3)o2)c1,C41270588_decoy,GCR,Decoy,0,-12.1508,-3.2,-2.88,-4.616385889117036
CCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccc(OC(C)C)c(OC)c2)C1=O,C63140527_decoy,GCR,Decoy,0,-6.07466,-3.65,-2.09,-3.179657840284635
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C(=O)CN1/N=C/c1ccc(Cl)cc1Cl,C63351456_decoy,GCR,Decoy,0,-7.46365,-3.33,-2.46,-3.2052779337583424
C[C@]12C(=O)N(Cc3ccco3)CC(=O)N1C[C@@H](c1ccc(Br)cc1)C1=c3ccccc3=[NH+][C@@H]12,C63373062_decoy,GCR,Decoy,0,-10.8118,-4.63,-3.92,-4.617301641999699
O=C([C@@H]1C=c2ccccc2=[NH+]1)N1CCC[C@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1,C64002459_decoy,GCR,Decoy,0,-6.55645,-3.61,-3.31,-3.240679282112482
CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1,C03351898_decoy,GCR,Decoy,0,-8.4219,-3.49,-3.79,-4.118341919116113
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSc3ncnc4sc(C)c(C)c34)CC2)c1,C02626564_decoy,GCR,Decoy,0,-7.75585,-4.18,-7.89,-3.5852231107543115
C=CCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S,C01451383_decoy,GCR,Decoy,0,-7.63491,-3.28,-4.52,-3.0483452461603537
O=C(c1ccc(N2C(=O)CCC2=O)cc1)N(/N=C/c1ccc(F)cc1)c1nc2ccc(F)cc2s1,C09148993_decoy,GCR,Decoy,0,-7.71748,-3.15,-3.01,-3.374366433916669
O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2,C09547114_decoy,GCR,Decoy,0,-11.6879,-3.2,-7.01,-4.4487094551384425
Cc1ccc(-c2csc3ncn(CC(=O)N4CCC[C@H]4c4ccc5c(c4)OCCO5)c(=O)c23)s1,C09746680_decoy,GCR,Decoy,0,-11.7162,-4.47,-3.07,-5.153974994997992
CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(Cl)cc3)c2=O)CN(C(C)=O)CC4)c1,C09830526_decoy,GCR,Decoy,0,-8.13512,-4.33,-4.24,-4.012927681604207
CCn1c(SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)nc2sc3c(c2c1=O)CCCC3,C09961053_decoy,GCR,Decoy,0,-6.74524,-6.44,-4.11,-4.331055409927881
O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2nc3c(F)cccc3s2)CC1,C10186876_decoy,GCR,Decoy,0,-11.3914,-4.61,-3.87,-5.019591016192293
O=C([C@@H]1CCCCN1S(=O)(=O)c1cccs1)N1CCN(c2nc3c(F)cccc3s2)CC1,C10785952_decoy,GCR,Decoy,0,-11.3943,-3.83,-1.66,-4.954129231664149
COc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)c(OC)c1OC,C01432041_decoy,GCR,Decoy,0,-12.2778,-2.06,-3.43,-4.42414209219529
O=C(Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21)N1CCOCC1,C14008788_decoy,GCR,Decoy,0,-12.0027,-8.78,-5.56,-8.145915079799556
CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1,C15817241_decoy,GCR,Decoy,0,-5.6732,-5.2,-4.6,-3.377747913892006
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,C17907080_decoy,GCR,Decoy,0,-10.4804,-3.79,-12.95,-4.741884132398456
COc1cc2c(cc1OC)CN(C(=O)CSc1nc3c(c(-c4ccsc4)c1C#N)CN(C)CC3)CC2,C19852723_decoy,GCR,Decoy,0,-6.06541,-3.69,-3.19,-3.3826423994111483
CN(C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1C)[C@@H]1CCS(=O)(=O)C1,C21278568_decoy,GCR,Decoy,0,-12.8298,-2.49,-2.91,-4.711028799042317
Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)CC2=O)cc1,C21449504_decoy,GCR,Decoy,0,-6.92063,-2.26,-2.3,-2.7958256301764552
CN(Cc1ccc(Br)cc1)C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C,C23595622_decoy,GCR,Decoy,0,-10.6887,-6.22,-4.57,-5.466739197359535
O=C1[C@@H]2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1c1cccc(C(F)(F)F)c1,C24907897_decoy,GCR,Decoy,0,-9.97039,14.26,-3.41,1.672141776767959
O=C([C@@H]1CCCCN1C(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,C25598904_decoy,GCR,Decoy,0,-9.57145,-2.7,-4.3,-3.932265005645213
COC(=O)N1CCC[C@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1,C27996600_decoy,GCR,Decoy,0,-10.4881,-4.28,-2.67,-4.733631243126571
CCn1c(-c2cccs2)nn(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1=S,C13073621_decoy,GCR,Decoy,0,-6.21414,-4.88,-4.1,-3.541447816101696
Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1,C33313611_decoy,GCR,Decoy,0,-10.3433,-4.28,-3.02,-4.758377866584471
CCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S,C33363227_decoy,GCR,Decoy,0,-7.21879,-3.73,-3.18,-3.4223143778015697
CCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O,C33475396_decoy,GCR,Decoy,0,-5.60741,-4.72,-4.25,-3.081058368075409
C[C@H]1CN(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)CCN1C(=O)c1cccc(F)c1,C00744201_decoy,GCR,Decoy,0,-11.4887,-3.56,-4.87,-4.794452397397983
COc1ccc(CCN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCC[C@H](C)C3)SC2=S)cc1,C33812148_decoy,GCR,Decoy,0,-7.43427,-2.36,-3.97,-3.1073809384670628
CC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2Cl)CC1,C35159275_decoy,GCR,Decoy,0,-10.7168,-3.89,-2.28,-5.01633555807036
O=C(CN1C(=O)[C@H](C(=O)N2CCCCCC2)Sc2ccccc21)N1CCN(C2CCCCC2)CC1,C35261169_decoy,GCR,Decoy,0,-7.74759,-2.72,-2.78,-3.361363809473067
Cc1ccc(N2C(c3ccccc3)=CS/C2=C(\C#N)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,C35617011_decoy,GCR,Decoy,0,-5.69304,-4.43,-1.82,-3.5301462061600124
Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C[C@H]2C)c1,C06530888_decoy,GCR,Decoy,0,-8.57845,-3.77,-2.69,-3.970240961394736
Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)c(=O)c12,C22017502_decoy,GCR,Decoy,0,-10.1805,-4.41,-4.23,-4.669628288724884
Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1,C01258783_decoy,GCR,Decoy,0,-9.16735,-4.57,-2.14,-4.514673674633564
CCn1c(N2C[C@H](C)C[C@H](C)C2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O,C39769376_decoy,GCR,Decoy,0,-5.04831,-2.63,-4.71,-2.3876227323484627
C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S,C39769544_decoy,GCR,Decoy,0,-7.32798,-3.89,-3.65,-3.5561385273777253
CCCn1c(N2C[C@H](C)C[C@H](C)C2)c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O,C39770145_decoy,GCR,Decoy,0,-5.93088,-4.26,-3.92,-2.9087287377481226
CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2/SC(=S)N(C)C2=O)c(C)c(C#N)c1=O,C39770251_decoy,GCR,Decoy,0,-7.32864,7.07,-2.99,-0.0828557331750723
CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O,C39989863_decoy,GCR,Decoy,0,-6.76681,-3.0,-4.27,-2.8502406026190634
CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O,C39990035_decoy,GCR,Decoy,0,-6.94723,0.66,-2.59,-2.19119300509091
CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O,C39990037_decoy,GCR,Decoy,0,-7.80682,-2.8,-3.98,-3.389323764021912
CCCn1c(N2C[C@@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O,C39990284_decoy,GCR,Decoy,0,-6.73042,0.13,-1.7,-2.20896652608073
CC(C)c1ccccc1-n1c(S[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O,C16718124_decoy,GCR,Decoy,0,-4.94372,-3.45,-4.46,-2.6060277991954943
CC(C)c1ccccc1-n1c(S[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O,C16718125_decoy,GCR,Decoy,0,-9.11946,-3.08,-3.49,-4.094557631456574
C[S@+]([O-])C[C@@H]1C[C@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]2N(C(=O)OC(C)(C)C)C1,C44962975_decoy,GCR,Decoy,0,-6.07297,-2.24,-4.01,-2.79474425670716
O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C46899405_decoy,GCR,Decoy,0,-11.8062,-3.65,-3.55,-4.959262185477078
Cc1ccc(C)c2sc(OC3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4cccs4)CC3)nc12,C49442754_decoy,GCR,Decoy,0,-8.31745,-2.24,-2.14,-3.362727402611421
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1,C34827895_decoy,GCR,Decoy,0,-6.63038,6.23,-3.78,-0.1243412831726516
CC(C)C1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@](C)(Br)[C@H](Br)C1=O,C08741529_decoy,GCR,Decoy,0,-7.82224,-8.42,-1.99,-7.658586568278664
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CN(CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)C1CCCCC1,C01064441_decoy,GCR,Decoy,0,-6.92347,-3.94,-4.36,-3.209608363314817
O=C1c2cccc(N3CCN(Cc4cccn4-c4nccs4)CC3)c2C(=O)N1Cc1ccsc1,C67490748_decoy,GCR,Decoy,0,-11.9195,-5.58,-2.89,-5.509410606827086
Cc1ccc(S(=O)(=O)c2nc(N3c4ccc(C)cc4[C@H]4C[NH+](C)CC[C@H]43)sc2Cl)cc1,C06199025_decoy,GCR,Decoy,0,-11.5451,-4.72,-4.69,-4.8675734418718095
C[NH+](C)CCN(C(=O)CSc1ccc(Cl)cc1)c1nc2ccc(Cl)cc2s1,C09343748_decoy,GCR,Decoy,0,-10.9324,-2.04,-3.66,-4.488622740726895
C[C@@H](c1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1-c1ccc(Cl)cc1)[NH+](C)C,C09101263_decoy,GCR,Decoy,0,-9.3635,-8.9,-5.04,-8.525107048655553
O=C(c1ccc(Cl)s1)N(CCC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1,C09400264_decoy,GCR,Decoy,0,-10.7163,2.7,-3.33,-2.972297002913668
C[NH+](Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@H]1CCCc2ccccc21,C09499145_decoy,GCR,Decoy,0,-10.2811,-3.47,-1.5,-4.369313609543722
O=C(/C=C/c1ccc(Br)s1)N1CC[NH+](Cc2nc3ccccc3s2)CC1,C09664130_decoy,GCR,Decoy,0,-10.3162,-3.9,-2.47,-4.853542362372605
O=C(c1cc(Cl)sc1Cl)N(CC[NH+]1CCOCC1)c1nc2c(Cl)cccc2s1,C10046411_decoy,GCR,Decoy,0,-12.4962,-3.15,-4.25,-5.171290392685291
C[NH+](C)CCCN(C(=O)Cc1cccs1)c1nc2ccc(Br)cc2s1,C10061693_decoy,GCR,Decoy,0,-10.9744,-6.7,-2.19,-10.322252784250626
Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1C,C10127320_decoy,GCR,Decoy,0,-10.7769,-3.92,-4.16,-4.985890806997681
Cc1ccc(C)c(CC(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(C)cc3s2)c1,C10698667_decoy,GCR,Decoy,0,-11.1817,-3.75,-1.9,-5.078340068242066
Cc1cc(Cl)cc2sc(N(CC[NH+]3CCOCC3)C(=O)/C=C/c3ccccc3Cl)nc12,C10785524_decoy,GCR,Decoy,0,-8.06978,-3.25,-3.35,-3.70236973947472
O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)C[C@@H]2C(=O)N1CC[NH+](C2CCCCC2)CC1,C12056600_decoy,GCR,Decoy,0,-6.41534,15.32,-3.67,2.519868840729978
C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CCC(=O)N2Cc2ccccc2F)CC1,C12280993_decoy,GCR,Decoy,0,-10.5783,-5.04,-1.66,-5.384163132660722
CC1CC[NH+](Cc2nc(N3CCN(c4ccccc4F)CC3)c3c4c(sc3n2)CCC4)CC1,C13038842_decoy,GCR,Decoy,0,-8.14749,-2.95,-3.94,-3.0341526142922577
O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CCN(c2cccc[nH+]2)CC1,C03310049_decoy,GCR,Decoy,0,-11.8965,-9.74,-5.1,-13.195675462848396
Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([NH+]1CC=C(c3ccccc3)CC1)C2,C14534768_decoy,GCR,Decoy,0,-7.20458,-4.99,-2.64,-3.60045969777875
C[C@H](Cc1ccccn1)[NH+]1CCc2c(cc(-c3cccc4ccsc34)c(=O)n2CC2CC2)C1,C14750719_decoy,GCR,Decoy,0,-11.2651,-3.57,-2.87,-4.686800087340024
Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[NH+](C)C4)c2)OCCN(C(=O)C2CC2)C3)s1,C14994090_decoy,GCR,Decoy,0,-8.13201,-2.75,-2.85,-3.287749734947373
O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCC[NH+]21,C09451934_decoy,GCR,Decoy,0,-10.6774,-3.95,-2.49,-4.4850625760713365
Cn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21,C19894333_decoy,GCR,Decoy,0,-10.6455,-4.5,-2.67,-4.71479825493173
CC(C)=CC(=O)N1CC[NH+](C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1,C22649953_decoy,GCR,Decoy,0,-10.7786,-7.13,-2.74,-8.908723793750607
O=C(c1ccc2c(c1)OCO2)N(CC1CC1)C1CC[NH+](CCc2ccc(Cl)cc2)CC1,C24875909_decoy,GCR,Decoy,0,-10.4382,-3.12,-1.68,-4.6471896449082095
CCCN1C(=O)[C@]2(c3cc(Br)ccc31)N1C[C@@]3(CC)C[NH+]2C[C@@](CCC)(C1)C3=O,C27517153_decoy,GCR,Decoy,0,-10.3154,-2.65,-2.07,-3.9762680722806265
O=C1OC2(CCC([NH+]3CCC(Cc4cc(F)ccc4F)CC3)CC2)c2ccc3c(c21)OCCO3,C28382623_decoy,GCR,Decoy,0,-10.8181,-2.97,-2.44,-4.186642651808868
O=C(Cn1ccc2c(SCc3ccccc3)[nH+]ccc21)N1CCN(c2ccccc2F)CC1,C33298621_decoy,GCR,Decoy,0,-10.6734,-4.78,-2.15,-4.852563808593283
Cc1ccc(N(C2CC[NH+](Cc3ccncc3)CC2)S(=O)(=O)c2ccccc2C)cc1,C34683797_decoy,GCR,Decoy,0,-6.56579,-4.61,-2.44,-3.721770915578736
CCCC[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2Cc2cc(C)ccc2C)CC1,C34748380_decoy,GCR,Decoy,0,-8.07087,-2.97,-2.82,-3.796571183143645
Cc1ccc([C@H]2c3ccsc3CC[NH+]2CC(=O)N2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)cc1,C34829757_decoy,GCR,Decoy,0,-8.00249,-4.58,-1.32,-4.195200769965771
Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1[C@@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1,C34830399_decoy,GCR,Decoy,0,-9.42194,-3.06,-3.58,-3.9926675899998783
O=C(CC[NH+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)C2CCCC2)CC1,C34830486_decoy,GCR,Decoy,0,-12.0744,-4.79,-3.91,-5.575405454647558
CSc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1,C35486685_decoy,GCR,Decoy,0,-11.2912,-2.85,-1.49,-4.521676153353647
CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCC[C@@H]2C)cc1,C35786487_decoy,GCR,Decoy,0,-6.83919,-2.72,-2.14,-3.1361851128764715
Cc1ccc([C@@H]2c3ccsc3CC[NH+]2CCC(=O)N2CCN(C(=O)CC(C)C)[C@H](C)C2)cc1,C35938687_decoy,GCR,Decoy,0,-11.6756,-4.52,-3.95,-5.572230067295078
O=C(c1ccc(-c2ccccc2)cc1)N(CCCn1cc[nH+]c1)c1nc2ccccc2s1,C38847441_decoy,GCR,Decoy,0,-9.70632,-3.17,-3.56,-4.2973374294072535
O=S1(=O)C[C@H](/N=C/c2ccc(Br)cc2)[C@@H](/[NH+]=C/c2ccc(Br)cc2)C1,C12174842_decoy,GCR,Decoy,0,-9.85585,6.69,-0.71,-1.1764700337716076
Cc1cc(C)c(C(=O)N(CC2CC[NH+](C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)o1,C39364615_decoy,GCR,Decoy,0,-9.55678,-3.72,-7.59,-4.313840661102349
Cc1ccc(C2=NN=C(C(=O)N(C)CC3CC[NH+](CCc4ccc(F)cc4)CC3)C2)s1,C39429967_decoy,GCR,Decoy,0,-10.7872,-8.25,-1.62,-15.50859561259525
Cc1ccc(C(=O)N(CC2CC[NH+](C3Cc4ccccc4C3)CC2)C[C@H]2CCCO2)s1,C39478981_decoy,GCR,Decoy,0,-10.6723,-3.12,-4.82,-4.355950464998779
CN(C)c1ccc(/C=N/[C@H]2C(=O)[NH+]=c3ccc(Br)cc3=C2c2ccccc2)cc1,C40140882_decoy,GCR,Decoy,0,-9.57387,-4.99,-1.45,-4.991572116901861
Cc1cc(N2CCN(C(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)[nH+]1,C46577695_decoy,GCR,Decoy,0,-6.57315,0.87,-3.56,-1.828942825571482
O=C(CSc1nc2ccccc2s1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1,C62129203_decoy,GCR,Decoy,0,-11.9336,-3.79,-5.8,-5.274820690811996
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1,C39945240_decoy,GCR,Decoy,0,-9.28607,-5.6,-4.26,-4.900841663306858
Cc1ccc([C@@H]2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63373821_decoy,GCR,Decoy,0,-6.52198,-4.32,-5.79,-3.0788661087287816
O=C([C@@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1,C63530323_decoy,GCR,Decoy,0,-7.81948,-4.53,-1.01,-4.074025329831989
CC1=C2[C@@H](N=N1)C(=O)N(CCC1=c3ccccc3=[NH+]C1)[C@H]2c1cccc(Br)c1,C63560391_decoy1,GCR,Decoy,0,-9.2253,-4.49,,-4.442029330152679
CCOc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CSCc2ccc(F)cc2)cc1,C63697947_decoy,GCR,Decoy,0,-10.1756,-3.55,-0.87,-4.692856624271364
O=C(CC1=c2ccccc2=[NH+][C@@H]1Sc1ccccc1F)N1CCN(Cc2ccccc2)CC1,C63743312_decoy,GCR,Decoy,0,-10.5583,-10.56,-3.05,-9.683762298060026
CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1c(F)cccc1Cl,C64087730_decoy,GCR,Decoy,0,-9.4735,-4.44,-1.24,-4.271367182182397
CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(C)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1Cl,C64357451_decoy,GCR,Decoy,0,-9.87384,-2.26,-2.0,-3.748869245704369
CCOc1cccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2cccc(N(C)C)c2)c1,C64568100_decoy,GCR,Decoy,0,-5.29282,-3.87,-1.56,-2.736031384930909
O=C(c1cccc(COCC(F)(F)C(F)F)c1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1,C02760284_decoy,GCR,Decoy,0,-10.2699,-4.6,-4.52,-5.214119717357921
Clc1ccc2c(c1)C(c1ccccc1Cl)=NCC(SCC[NH+]1CCOCC1)=N2,C05618946_decoy,GCR,Decoy,0,-10.8192,-9.27,-4.45,-10.013362286485023
Cc1ccc(S(=O)(=O)N2CCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)c(C)c1,C03339952_decoy,GCR,Decoy,0,-9.08515,-3.72,-4.84,-4.117320038830045
C[NH+]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1,C02409202_decoy,GCR,Decoy,0,-6.93405,-2.42,-4.17,-2.912100132653316
C[NH+](C)CCN(C(=O)c1ccc(Br)cc1)c1nc2ccc(Br)cc2s1,C08768412_decoy,GCR,Decoy,0,-10.5254,-2.71,-1.05,-4.549385695898604
Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@@H]1N2C(=O)CSc1nc2ccccc2n1-c1ccccc1,C08856548_decoy,GCR,Decoy,0,-5.94057,-4.6,-0.27,-3.17012255763399
CCc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3cc(C)ccc3C)nc12,C09400136_decoy,GCR,Decoy,0,-9.30889,-2.97,-3.63,-4.380890253513967
Cc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)sc2c1,C09400485_decoy,GCR,Decoy,0,-5.42797,-3.19,-3.5,-2.738045964032328
C[NH+](C)CCN(C(=O)c1ccc(Br)s1)c1nc2c(Cl)cccc2s1,C09604022_decoy,GCR,Decoy,0,-10.6706,-2.95,-3.45,-4.641047034206776
O=c1cc(C[NH+]2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Br)cn12,C09912720_decoy,GCR,Decoy,0,-9.96951,-4.26,-8.79,-4.636646330100224
CSc1ccccc1C(=O)N(CC[NH+]1CCOCC1)c1nc2c(C)ccc(C)c2s1,C10047211_decoy,GCR,Decoy,0,-9.06306,-2.92,-2.79,-3.957126938407552
Cc1ccc(Cl)c2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc4c(c3)CCCC4)nc12,C10127343_decoy,GCR,Decoy,0,-9.28718,-4.23,-4.85,-4.595381252601432
Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)cc1C,C10127719_decoy,GCR,Decoy,0,-7.86759,-3.86,-2.28,-3.914152163287812
CSc1cccc2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(C)cc3C)nc12,C10813779_decoy,GCR,Decoy,0,-11.2974,-4.14,-3.16,-5.39952614854369
CSc1ccc2nc(N(CC[NH+]3CCOCC3)C(=O)/C=C/c3ccccc3)sc2c1,C10817466_decoy,GCR,Decoy,0,-10.5138,-3.76,-3.73,-5.056857029504133
CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(Br)cc4)cc3s2)CC1,C12488689_decoy,GCR,Decoy,0,-10.3281,-3.72,-3.33,-4.207960808856579
Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[NH+](C)C4)c2)OCCN(C(=O)CC2CCCC2)C3)s1,C14997562_decoy,GCR,Decoy,0,-7.65649,3.51,-5.02,-1.2577062901725955
Clc1cccc(-n2cccc2C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1Cl,C19722987_decoy,GCR,Decoy,0,-10.9235,-6.53,-1.07,-6.011934732886881
CN(Cc1cc2ccccc2s1)[C@H]1CCc2c(sc3ncn(CC[NH+](C)C)c(=O)c23)C1,C14981540_decoy,GCR,Decoy,0,-9.23024,-3.09,-4.8,-3.99867321707781
S=c1n(C[NH+]2CCCC2)nc(-c2ccccc2OCc2ccccc2)n1-c1ccccc1,C27579089_decoy,GCR,Decoy,0,-11.1479,-3.05,-3.81,-4.785680133574957
Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH+]5C[C@@H](C)C[C@H](C)C5)C4=O)cc3)sc2c1,C33719430_decoy,GCR,Decoy,0,-10.3835,-3.93,-1.0,-3.969025058260396
Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C)C1,C34829809_decoy,GCR,Decoy,0,-9.77738,-3.11,-4.89,-4.015699024831189
Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)Cc2cccs2)[C@H](C)C1,C34829819_decoy,GCR,Decoy,0,-6.8873,-3.86,-4.28,-3.349304104805696
O=C(CC[NH+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1,C34830047_decoy,GCR,Decoy,0,-10.6047,-3.58,-4.22,-4.61300808780417
Cc1ccccc1C(=O)N1CCN(C(=O)CC[NH+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C,C34830266_decoy,GCR,Decoy,0,-10.8111,-3.66,-2.8,-4.684503260938142
O=C(c1ccc(C[NH+]2CCn3cccc3[C@@H]2c2ccccc2F)o1)N1CCc2ccccc2C1,C35523486_decoy,GCR,Decoy,0,-9.99195,-5.48,-4.58,-4.914778012205403
COc1ccc(-c2sc(Nc3ccc(C)cc3)[n+](C(C)(C)C)c2-c2ccc(OC)cc2)cc1,C35682727_decoy,GCR,Decoy,0,-5.63966,0.61,-3.65,-1.7962385104356096
CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+](C)C2CCCCC2)cc1,C35786351_decoy,GCR,Decoy,0,-10.8907,-1.71,-3.98,-4.34054374211067
CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[NH+](C)C2CCCCC2)cc1,C35786355_decoy,GCR,Decoy,0,-9.88324,-4.12,-4.34,-4.785527795791717
Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C2CC[NH+](Cc3ccc(F)cc3F)CC2)n1,C35914419_decoy,GCR,Decoy,0,-6.56842,-1.85,-3.07,-2.423531861853269
CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Br)cc3=C2c2ccccc2)C[C@@H]1c1ccccc1,C38604791_decoy,GCR,Decoy,0,-10.4756,-4.14,-1.56,-4.707175195671103
O=C(c1cc(Cl)sc1Cl)N(CCCn1cc[nH+]c1)c1nc2ccc(Cl)cc2s1,C38847499_decoy,GCR,Decoy,0,-11.7261,-7.85,-2.79,-9.646066409473136
Cc1ccnc(C)c1C(=O)N1[C@@H]2CC[C@H]1CN(C1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)C2,C40860089_decoy,GCR,Decoy,0,-5.25963,-4.72,-3.35,-3.21657921151162
CCCCCCN1CC(=O)N2[C@@H](CC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2cccc3ccccc23)C1=O,C63137088_decoy,GCR,Decoy,0,-5.37491,-4.2,-3.44,-3.1524384893116832
Cc1ccc(CN2CC(=O)N3[C@H](c4ccc(C(C)C)cc4)[C@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63140034_decoy,GCR,Decoy,0,-6.62108,-3.02,-3.07,-3.212953364283288
Cc1ccccc1[C@@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCc3ccc(F)cc3)CC(=O)N12,C63140778_decoy,GCR,Decoy,0,-5.60516,-3.66,-2.62,-2.353891026297384
Cc1cccc(-n2c(SCC(=O)C3=c4ccccc4=[NH+]C3)nc3sc4c(c3c2=O)CCCC4)c1,C39940783_decoy,GCR,Decoy,0,-6.56354,-6.86,-4.78,-4.111569121932461
C[C@H]1[NH+]=c2ccccc2=C1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1,C39945239_decoy,GCR,Decoy,0,-8.43306,-5.56,-4.41,-4.677742832622055
CCCCCN1CC(=O)N2C[C@H](c3ccc(CC)cc3)C3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O,C63372321_decoy,GCR,Decoy,0,-6.1602,-4.83,-3.12,-3.662753845590071
CCc1ccc([C@H]2CN3C(=O)CN(CCc4ccccc4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)cc1,C63374696_decoy,GCR,Decoy,0,-10.2704,-6.09,-4.24,-5.284924308572145
COc1ccc2c(c1)=C1CCN(C(=O)c3ccc(N(C)C)cc3)[C@@H](c3ccc(F)cc3)[C@@H]1[NH+]=2,C63491851_decoy,GCR,Decoy,0,-5.78532,-3.19,-5.35,-2.635426844647123
CC1=C2[C@H](N=N1)C(=O)N(CCC1=c3ccccc3=[NH+]C1)[C@H]2c1cccc(Br)c1,C63560391_decoy2,GCR,Decoy,0,-8.95827,-6.23,,-7.058444793805701
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc3c(c2)OCO3)cc1,C63697551_decoy,GCR,Decoy,0,-6.21994,-2.0,-0.71,-2.6098663657297245
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CSCc2ccc(F)cc2)cc1,C63697691_decoy,GCR,Decoy,0,-10.7825,-4.1,-1.03,-5.213152039334417
O=C(CSC1=c2ccccc2=[NH+]C1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1,C63755609_decoy,GCR,Decoy,0,-9.66103,-3.42,-4.57,-4.322019515681923
Cc1nn(C)c(C)c1CCC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1cc(F)ccc1F,C64053351_decoy,GCR,Decoy,0,-9.89811,-4.34,-3.66,-4.383737242432822
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)C1=c2ccccc2=[NH+]C1,C64056710_decoy,GCR,Decoy,0,-4.69973,-4.25,-2.41,-2.692307229666122
CSc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CCCc2cccs2)cc1,C64137354_decoy,GCR,Decoy,0,-11.4305,-2.15,-3.18,-4.287741436800081
O=C1[NH+]=c2ccccc2=C[C@H]1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C64716221_decoy,GCR,Decoy,0,-7.46959,-3.13,,99.0
CCCCN1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=O,C65356900_decoy,GCR,Decoy,0,-10.2976,-3.83,-2.35,-4.665524473226395
O=C1CS[C@]2(SC(c3cccs3)=NN2c2ccccc2)N1c1ccccc1,C04334146_decoy,GCR,Decoy,0,-9.96353,-3.4,-3.13,-3.868062534752217
O=C(CSc1nc2ccccc2o1)N1c2ccccc2CCc2ccccc21,C00849823_decoy,GCR,Decoy,0,-9.19325,-8.56,-2.05,-8.011433565716684
c1ccc(-c2nc3sc4c(N5CCCC5)ncnc4c3c3c2CCCC3)cc1,C02296692_decoy,GCR,Decoy,0,-9.63668,-3.3,-4.28,-3.623963133843144
O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccn1,C04661209_decoy,GCR,Decoy,0,-7.52246,-3.59,-1.85,-3.251494005627165
Cc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCCC2)cc1,C03039210_decoy,GCR,Decoy,0,-10.1732,-3.69,-2.74,-4.296145877868197
CC(=O)c1ccc(N2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)cc1,C02784851_decoy,GCR,Decoy,0,-8.95862,-3.02,-3.1,-3.713101009600084
Cc1nc(Sc2ccc3c(c2)OCCO3)c2cc(-c3ccccc3)sc2n1,C00952986_decoy,GCR,Decoy,0,-10.5409,-3.77,-1.17,-4.555460333234329
O=C1CCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3,C04768119_decoy,GCR,Decoy,0,-9.21685,-4.27,-3.02,-3.968782528590022
O=C1c2ccccc2-c2cc(Br)c([N+](=O)[O-])c(Br)c21,C01704667_decoy,GCR,Decoy,0,-7.77639,-3.9,-0.31,-3.116734228523417
O=C(c1ccc(Cl)s1)N1CCN(c2nc3c(Cl)cccc3s2)CC1,C05181920_decoy,GCR,Decoy,0,-11.2518,-3.56,-3.72,-4.5316482659559725
Cc1cc(C)c2sc(N3CCN(C(=O)/C=C/c4cccs4)CC3)nc2c1,C05182185_decoy,GCR,Decoy,0,-10.2874,-4.4,-2.02,-4.398153876377085
C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1ccc(Cl)cc1Cl)OCCCO3,C05388888_decoy,GCR,Decoy,0,-10.159,-4.06,-1.91,-4.044035415099928
Cc1ccc(N2CC(=O)N(c3nc(-c4ccc(Cl)cc4)cs3)C2=S)cc1,C01090204_decoy,GCR,Decoy,0,-10.1518,31.07,-2.58,6.881600242317774
Brc1cccc(-c2nnc3sc(/C=C/c4cccs4)nn23)c1,C06471288_decoy,GCR,Decoy,0,-11.8326,-8.06,-3.34,-7.3740287438522545
C[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3,C06586815_decoy,GCR,Decoy,0,-10.9116,-4.32,-4.69,-5.053103542356763
CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Br)cc1)CO3,C06900577_decoy,GCR,Decoy,0,-8.96325,-3.5,-0.46,-3.7286398489856953
Clc1ccc(-c2csc(-c3nnc4n3-c3ccccc3SC4)n2)s1,C02660037_decoy,GCR,Decoy,0,-10.8904,-3.25,-3.16,-3.92192804293656
N#CC1(c2ccccc2)CCC(=NN=C2CCC(C#N)(c3ccccc3)CC2)CC1,C04812293_decoy,GCR,Decoy,0,-10.0715,-5.21,-5.59,-4.792199201625342
Cc1ccc(-c2nc3s/c(=C\c4ccc(Br)cc4)c(=O)n3n2)cc1,C01130639_decoy,GCR,Decoy,0,-9.66029,-3.23,-6.71,-3.5103619195647435
O=c1oc2ccc(Br)cc2cc1-c1cn2c(n1)sc1cc(F)ccc12,C00856323_decoy,GCR,Decoy,0,-10.5012,-2.3,-1.47,-3.1610617894278565
Cc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3nc(C)sc23)c(C)c1,C08955855_decoy,GCR,Decoy,0,-8.3161,-5.86,-0.76,-4.23087666596303
Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nc12,C09345722_decoy,GCR,Decoy,0,-8.90833,-3.72,-5.02,-3.727805533970164
Cc1ccc2nc3sc(C(=O)N4CCN(c5ccccc5F)CC4)cc3cc2c1,C09528655_decoy,GCR,Decoy,0,-11.5423,-5.78,-2.44,-4.888116878271887
O=C1CS[C@@H](c2cc3c(cc2Br)OCO3)N1c1ccc(Cl)cc1,C02949651_decoy,GCR,Decoy,0,-9.51374,-7.47,-0.45,-13.67450132323074
CSc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1,C10254576_decoy,GCR,Decoy,0,-6.46981,-3.65,-1.86,-3.3769209278045023
Cc1ccnc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)c1,C12524582_decoy,GCR,Decoy,0,-9.20556,-3.86,-0.87,-4.552427288874839
O=[N+]([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21,C13562271_decoy,GCR,Decoy,0,-9.54421,-2.19,-1.55,-3.3233161210524127
N#CC1(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21,C15221776_decoy,GCR,Decoy,0,-10.1519,-3.11,-2.12,-4.028537867459725
O=c1/c(=C/c2cccn2-c2cccc(Br)c2)sc2nc3ccccc3n12,C15224907_decoy,GCR,Decoy,0,-9.58838,-4.14,-0.77,-4.126776058182694
Brc1ccc(Cn2nnc(-c3ccccc3Br)n2)cc1,C15553000_decoy,GCR,Decoy,0,-8.28895,-6.76,-0.63,-6.2821855893820455
Cc1ccc2c(C)c(C(=O)N3CCC(c4nc5ccccc5s4)CC3)oc2c1,C15833206_decoy,GCR,Decoy,0,-11.1398,-2.7,-1.55,-3.8729866286153616
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)c1nc(-c2ccccc2)cs1,C18903011_decoy,GCR,Decoy,0,-9.91471,-3.09,-3.41,-3.942671013544702
Cc1ccc(C(=O)N2CCc3cc(-c4csc(-c5cccnc5)n4)ccc32)cc1,C19135545_decoy,GCR,Decoy,0,-11.2523,-4.42,-2.54,-4.710657855997754
O=C1CCC[C@@]2(C1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12,C19928232_decoy,GCR,Decoy,0,-11.0533,-3.84,-2.83,-3.753717201918185
O=c1/c(=C/c2ccc(Br)cc2)sc2nnc(-c3ccc(Cl)cc3)n12,C03635961_decoy,GCR,Decoy,0,-9.98209,-3.73,-1.63,-3.8585288431200455
O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1,C20503553_decoy,GCR,Decoy,0,-9.57327,-4.05,-1.12,-4.369134838852899
CCc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2,C20867124_decoy,GCR,Decoy,0,-9.39571,-4.91,-1.65,-4.83947523065873
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)c(C)c1,C26963405_decoy,GCR,Decoy,0,-8.58122,-4.29,-3.88,-3.6058503074322967
Clc1ccccc1-c1nnc2n1N=C(c1ccc(Br)s1)CS2,C30782367_decoy,GCR,Decoy,0,-10.4,-3.25,-1.0,-3.69835108503436
O=C(N1CCN(c2nc3c(F)cc(F)cc3s2)CC1)C12CC3CC(CC(C3)C1)C2,C36687091_decoy,GCR,Decoy,0,-9.63308,-4.38,-1.1,-4.035889473812383
CSc1cc(Cl)c2c(c1)C/C(Br)=N/c1c(Cl)ncnc1N2C,C39479657_decoy,GCR,Decoy,0,-11.203,-7.23,-1.68,-9.077470803376048
CC1(C)[C@H]2CC[C@]1(C(=O)N1CCCCC1)c1nc3cc(Cl)c(Cl)cc3nc12,C39854931_decoy,GCR,Decoy,0,-10.9805,-4.08,-1.34,-4.304981515793951
N#C/C(=C\c1c(Cl)nc2sccn12)C(=O)c1c(Cl)cccc1Cl,C44028189_decoy,GCR,Decoy,0,-10.5623,-8.49,-4.18,-10.603715002039875
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2cccs2)cc1I,C48545436_decoy,GCR,Decoy,0,-8.6177,-7.4,-1.45,-9.562020801221662
Clc1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)cc1,C05091430_decoy,GCR,Decoy,0,-8.41593,-7.39,-2.8,-6.6810995119841285
CSc1ccc(C2=Nn3c(nc4scc(-c5ccccc5)c4c3=O)SC2)cc1,C25203095_decoy,GCR,Decoy,0,-12.3702,-2.21,-3.48,-4.4349010347373135
Clc1cc2c(c(CN3CCCC[C@@H]3c3nc4ccccc4s3)c1)OCOC2,C16046964_decoy,GCR,Decoy,0,-10.3333,-8.72,-3.45,-9.34602364584319
Brc1cc(/C=N/c2ccc3ccccc3c2)oc1N1CCOCC1,C59679536_decoy,GCR,Decoy,0,-10.1548,-5.93,-0.85,-5.013228737667536
CC(C)CN1COc2ccc3c(c2C1)O/C(=C\c1ccc(Cl)c(Cl)c1)C3=O,C41659915_decoy,GCR,Decoy,0,-6.56604,22.54,-0.92,4.705727032350376
C[C@H]1CCC2=C3C(=O)N=C(/C(C#N)=C/c4c(Cl)cccc4Cl)N=C3S[C@H]2C1,C39948185_decoy,GCR,Decoy,0,-11.9703,-4.14,-1.24,-4.314824152862303
CC(=O)[C@@H]1C[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12,C04046866_decoy,GCR,Decoy,0,-10.7465,-5.66,-1.94,-5.104897810158152
O=C(Oc1c(C(=O)c2ccc(Br)cc2)sc2ccccc12)c1ccc(F)cc1,C02060210_decoy,GCR,Decoy,0,-11.2659,-8.12,-2.4,-9.596582298703838
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,C03765490_decoy,GCR,Decoy,0,-8.99944,-3.26,-2.1,-3.8979081901333337
O=C(Oc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccc(Cl)cc1Cl,C02888796_decoy,GCR,Decoy,0,-10.025,-5.05,-0.72,-5.012712296050806
O=c1c2c(-c3ccc(Br)cc3)csc2ncn1Cc1cccc2ccccc12,C08788650_decoy,GCR,Decoy,0,-10.1551,-4.68,-2.35,-4.32639423090286
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c1,C08872376_decoy,GCR,Decoy,0,-12.3614,-3.76,-5.95,-5.7020742388559125
CC(C)(C)[C@H]1CCc2c(sc3ncn(CC(=O)c4ccc(Cl)cc4Cl)c(=O)c23)C1,C08895245_decoy,GCR,Decoy,0,-11.6037,7.94,-4.13,-1.257078676780036
O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)c1ccc(Br)cc1,C08897979_decoy,GCR,Decoy,0,-11.4116,-7.63,-2.11,-12.35275615518136
Cc1cc(C)c2sc(N3CCN(c4nc5ccc(Br)cc5s4)CC3)nc2c1,C08975707_decoy,GCR,Decoy,0,-12.3313,-4.43,-4.47,-4.895699195390215
CSc1ccc2nc(N3CCN(c4nc5c(C)cc(Cl)cc5s4)CC3)sc2c1,C08975731_decoy,GCR,Decoy,0,-12.5098,-3.51,-1.72,-4.715030624495616
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc(F)c1,C09296563_decoy,GCR,Decoy,0,-13.3342,-3.93,-0.69,-4.635280894869274
Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3[C@@H](C)c3ccccc3)c3ccccc3n2C)cc1,C09355489_decoy,GCR,Decoy,0,-9.8885,-4.04,-4.08,-4.507626357471345
N#Cc1c(SCC(=O)c2ccc(Br)cc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2,C09380251_decoy,GCR,Decoy,0,-12.4033,-4.11,-2.04,-5.493352702158855
CSc1nc(SCc2ccc(Br)cc2)c2c3c(sc2n1)COC(C)(C)C3,C02222157_decoy,GCR,Decoy,0,-12.6873,-5.04,-1.88,-5.921723620307407
Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c3c4c(sc32)CCCC4)cc1,C09615758_decoy,GCR,Decoy,0,-7.30969,-3.96,-3.97,-3.654498849081649
Cc1ccc(Cn2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c3sc4ccccc4c32)cc1,C09959725_decoy,GCR,Decoy,0,-9.59496,-3.13,-3.26,-3.769825810398992
O=C(c1cc(Cl)sc1Cl)N(Cc1ccco1)c1nc2c(Cl)cccc2s1,C10527145_decoy,GCR,Decoy,0,-11.4659,-3.76,-3.01,-5.082993469415072
O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCCO1)c1nc2ccc(Cl)cc2s1,C11059988_decoy,GCR,Decoy,0,-12.0191,-3.86,-4.17,-4.993853564974034
O=C(c1cc(Cl)sc1Cl)N(C[C@H]1CCCO1)c1nc2ccc(Cl)cc2s1,C11060003_decoy,GCR,Decoy,0,-11.948,-3.43,-3.34,-4.8742296890611785
Cc1cc2nc(/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)sc2cc1C,C12660873_decoy,GCR,Decoy,0,-8.66004,-4.32,-4.23,-4.150852116781978
O=[N+]([O-])c1ccc([C@@H]2[C@H]3CC=C[C@@H]3c3cc(Br)cc4c3N2C[C@H]2CC=C[C@H]42)cc1,C08935290_decoy,GCR,Decoy,0,-11.2155,-2.98,-1.52,-4.210074404011501
CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Br)cc2)n(C)c2ccccc12,C13942427_decoy,GCR,Decoy,0,-11.3528,-3.34,-3.13,-4.935922751534892
Cc1ccc([C@]2(C(F)(F)F)N=C(SCc3ccc(Cl)c(Cl)c3)C(C#N)=C3C=CC=CN32)cc1,C14181606_decoy,GCR,Decoy,0,-6.47936,-6.97,-2.11,-4.4495244124763165
CN1/C(=C2\S/C(=N\c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)Sc2ccccc21,C15944992_decoy,GCR,Decoy,0,-6.63868,-2.96,-5.23,-2.373451489221989
Clc1ccc(-c2nc(SCc3cc4c(cc3Cl)OCO4)nc3c2CCCC3)cc1,C16429382_decoy,GCR,Decoy,0,-11.1479,-6.13,-1.17,-8.039534713064704
O=C(/C=C/c1ccccc1)c1ccc2c(=O)n3c4cc5ccccc5cc4nc3c3cccc1c23,C16450860_decoy,GCR,Decoy,0,-11.8462,-4.94,-4.83,-4.871860494066375
BrC(/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1,C12465116_decoy,GCR,Decoy,0,-10.5221,-3.66,-2.5,-4.338154140711226
C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1,C19850197_decoy,GCR,Decoy,0,-11.4805,-9.25,-1.07,-10.2914817099407
CCCCN1C(=O)/C(=C\C=C2\N(C)c3ccc(-c4ccccc4)cc3C2(C)C)SC1=S,C19892856_decoy,GCR,Decoy,0,-12.84,-1.93,-3.47,-5.477876919308418
O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1cc(Cl)ccc1Cl,C03004967_decoy,GCR,Decoy,0,-11.2745,-7.68,-2.2,-9.685794736331214
CSCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(Br)ccc21,C22857579_decoy,GCR,Decoy,0,-11.1861,-4.28,-1.79,-5.428919914455882
C[C@@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1,C16712888_decoy,GCR,Decoy,0,-10.2704,-3.32,-1.94,-4.190921544195496
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)Cc1ccccc1-2,C28165417_decoy,GCR,Decoy,0,-8.79556,-2.52,-4.32,-3.434599162117052
C=CCn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cccc(F)c21,C34876622_decoy,GCR,Decoy,0,-10.941,-3.32,-4.79,-4.449675391804838
Brc1cc(Br)c2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1,C35551736_decoy,GCR,Decoy,0,-10.5834,-3.69,-2.41,-4.0926435204251055
Cc1ccc(C)c(Cn2c(=O)c3c4c(sc3n(Cc3cc(C)ccc3C)c2=O)CCC4)c1,C37640276_decoy,GCR,Decoy,0,-5.46054,-4.16,-4.76,-2.951049834867417
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1,C08599280_decoy,GCR,Decoy,0,-7.13821,-3.94,-3.21,-3.3868524016219888
O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2cc(OCc3ccc(Br)cc3)ccc21,C38321022_decoy,GCR,Decoy,0,-12.3901,-9.25,-4.53,-9.788192543296011
Cc1ccc(/C=N/N(C(=O)c2cc(Cl)sc2Cl)c2nc3ccccc3s2)cc1,C39713188_decoy,GCR,Decoy,0,-11.0555,-3.68,-4.35,-4.627134870229208
Cc1ccc2nc(N(/N=C/c3ccccc3)C(=O)c3cc(Cl)sc3Cl)sc2c1,C39714186_decoy,GCR,Decoy,0,-12.3862,-4.24,-2.27,-5.592398105313619
CSCCn1/c(=N/C(=O)Cc2cc(C)ccc2C)sc2cc(Br)ccc21,C39721600_decoy,GCR,Decoy,0,-11.4326,-3.49,-4.69,-5.0927338886116384
CC1(C)[C@H]2CC[C@]1(C(=O)Oc1ccc3ccccc3c1)c1nc3cc(Cl)c(Cl)cc3nc12,C39854880_decoy,GCR,Decoy,0,-10.2743,-4.89,-2.53,-4.539437631752706
O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2cccnc2Cl)N1c1ccccc1,C39864048_decoy,GCR,Decoy,0,-8.29315,-4.47,-2.08,-3.9758497248491618
C=CCN1C(=O)/C(=C(\C)c2ccc(Br)cc2)S/C1=N/c1ccncc1Cl,C39864475_decoy,GCR,Decoy,0,-10.0623,-3.79,-4.73,-4.189385958223287
CC[C@]1(C)Cc2ccccc2-c2nc(SCc3ccccc3F)n(-c3ccccc3)c(=O)c21,C40032478_decoy,GCR,Decoy,0,-6.08603,-5.79,-3.48,-3.6964847245951393
CC[C@@]1(C)Cc2ccccc2-c2nc(SCc3ccccc3F)n(-c3ccc(C)cc3)c(=O)c21,C40032483_decoy,GCR,Decoy,0,-5.87113,-3.06,-3.11,-2.6249331301832752
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C)o1,C58832418_decoy,GCR,Decoy,0,-11.0766,-3.27,-0.95,-4.371045211111618
CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(C)s2)N1c1cc(Cl)cc(Cl)c1,C59056734_decoy,GCR,Decoy,0,-9.84037,-3.84,-3.74,-4.328582902759607
C[C@H]1N(C)c2ccc(/C=N\c3oc(-c4ccccc4)c(-c4ccccc4)c3C#N)cc2C1(C)C,C12563080_decoy,GCR,Decoy,0,-5.79748,-3.32,-5.53,-2.7839858647083915
Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(Cc1ccc(Cl)cc1Cl)CO2,C41645184_decoy,GCR,Decoy,0,-10.6992,-3.32,-3.72,-4.108945440104357
c1ccc(C2=NN(c3nc(-c4ccc(-c5ccccc5)cc4)cs3)[C@@H](c3ccccc3)C2)cc1,C03997846_decoy,GCR,Decoy,0,-7.21345,-4.44,-0.91,-3.797943045782645
O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1,C02185705_decoy,GCR,Decoy,0,-9.90652,-3.2,-4.94,-4.4181512227677535
O=S(=O)(c1cc(I)cc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F,C02845658_decoy,GCR,Decoy,0,-7.42184,-7.42,-1.65,-8.204862091225944
O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)N1c2ccccc2CCc2ccccc21,C01819990_decoy,GCR,Decoy,0,-7.95833,-5.83,-5.43,-4.617300585949355
O=c1c2ccc(Cl)cc2nc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)c(Cl)c1,C03131716_decoy,GCR,Decoy,0,-11.363,-3.19,-2.11,-4.477626948637649
Clc1ccc(-c2csc(N3N=C(c4ccc5c(c4)CCCC5)C[C@@H]3c3ccccc3)n2)cc1,C08720938_decoy,GCR,Decoy,0,-8.97146,-2.92,-4.05,-3.708975487362751
Clc1ccc2nc(N3N=C(c4ccccc4)C[C@@H]3c3cccs3)nc(-c3ccccc3)c2c1,C09109841_decoy,GCR,Decoy,0,-8.37587,0.12,-3.94,-2.754086016771136
CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4c(Cl)cccc4Cl)c23)CO1,C02215894_decoy,GCR,Decoy,0,-9.71004,-3.86,-1.84,-3.9377389414588047
Cc1ccc(COc2ccc(Br)cc2/C=c2/sc3nc4ccccc4n3c2=O)cc1,C08442157_decoy,GCR,Decoy,0,-7.88847,-7.38,-3.72,-6.653938745469373
COCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(Br)ccc21,C09279576_decoy,GCR,Decoy,0,-10.2137,-2.91,-2.22,-4.292873584503341
Cc1ccc(CSc2nc3c(c(=O)n2Cc2ccco2)C2(CCCC2)Cc2ccccc2-3)cc1,C09488602_decoy,GCR,Decoy,0,-6.22564,-5.4,-3.11,-3.5438950127381785
CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3c(C)cc(C)cc3C)c2=O)CCCC4)cc1,C02687548_decoy,GCR,Decoy,0,-6.13454,-3.67,-5.59,-2.756403948986053
Cc1c(Cl)ccc2sc(N(C[C@H]3CCCO3)C(=O)c3sc4ccccc4c3Cl)nc12,C11160161_decoy,GCR,Decoy,0,-11.9106,-4.02,-2.07,-5.157965436078158
c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c5ccccn45)c3)n3ccccc23)cc1,C09404907_decoy,GCR,Decoy,0,-11.564,-5.84,-2.01,-5.488582216535903
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1,C12251060_decoy,GCR,Decoy,0,-11.4707,-3.77,-4.11,-4.552545254918047
O=S(=O)(c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1)N1CCc2ccccc21,C12574242_decoy,GCR,Decoy,0,-7.09832,-3.6,-2.03,-3.1969955097368623
Cc1cccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nc3sc4c(c3c2=O)CCCC4)c1,C01813855_decoy,GCR,Decoy,0,-12.3038,-3.8,-5.19,-5.004186858034737
Clc1ccc(CO/N=C2\CCCc3c2cc(-c2ccccc2)n3-c2ccccc2Cl)cc1,C12960572_decoy,GCR,Decoy,0,-11.1716,-3.38,-1.0,-4.955271346072076
CCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c2c(C)c(C)sc2n1,C13027919_decoy,GCR,Decoy,0,-9.18146,-4.23,-4.06,-4.473174722060091
Cc1ccc2cc(CSc3nnc(-c4sc5ccccc5c4Cl)o3)c(Cl)nc2c1,C13062488_decoy,GCR,Decoy,0,-11.5999,-4.28,-1.87,-4.883963624837804
N#Cc1ccc(Oc2nc(/C=C/c3ccc(Br)cc3)nc3sc4c(c23)CCCC4)cc1,C13146098_decoy,GCR,Decoy,0,-6.92125,-5.1,-3.6,-3.539941974137144
Clc1cc(Cl)cc(OCc2nc(-c3cc(-c4ccc(Cl)c(Cl)c4)no3)cs2)c1,C02142124_decoy,GCR,Decoy,0,-13.2507,-9.72,-4.41,-9.374224931821376
CCC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccccc2)c2ccccc21,C13658331_decoy,GCR,Decoy,0,-7.31694,-3.84,-1.59,-3.511727948819729
Clc1cnn(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)c1,C13960657_decoy,GCR,Decoy,0,-10.8041,-3.75,-2.86,-4.8488258693953545
O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)N1c2ccccc2Sc2ccccc21,C02866521_decoy,GCR,Decoy,0,-9.56139,-6.52,-3.82,-5.415318785651809
O=C1[C@H]2[C@@H](c3ccccc3)C=C(c3ccccc3)O[C@H]2N(c2ccccc2)C(=S)N1c1ccccc1,C15223834_decoy,GCR,Decoy,0,-5.97984,-4.07,-3.51,-2.803203039377215
Fc1cccc(Cl)c1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1,C16757903_decoy,GCR,Decoy,0,-9.83211,-2.77,-2.42,-4.323790035155153
Cc1c(Cl)ccc2sc(N(Cc3ccco3)C(=O)c3cc(Cl)sc3Cl)nc12,C22901971_decoy,GCR,Decoy,0,-11.9754,-3.5,-2.63,-4.907873584627196
CCN(c1nc(C)cc(-c2c(C)cc(C)nc2C)n1)c1c(C)cc(C(C)C)cc1Br,C26005238_decoy,GCR,Decoy,0,-11.81,-3.29,-3.19,-4.961165524036391
Cc1cccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3Sc3ccc(Cl)cc3)C(=O)O2)c1,C27573016_decoy,GCR,Decoy,0,-8.09856,-4.09,-4.72,-3.830648464628775
CCOCCn1/c(=N/C(=O)c2cc(Cl)cc(Cl)c2)sc2ccc(Cl)c(Cl)c21,C36632103_decoy,GCR,Decoy,0,-8.92305,-3.53,-2.47,-4.1171475046399655
CCOCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2cc(Cl)cc(Cl)c21,C36632144_decoy,GCR,Decoy,0,-11.2057,-3.73,-3.27,-4.9815479239938725
CCCCC1CCC(C(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)CC1,C36686871_decoy,GCR,Decoy,0,-12.4077,28.78,-0.87,7.348669675837742
O=C(c1ccc(Cl)cc1)N(/N=C/c1ccc(Br)cc1)c1nc2ccccc2s1,C39713085_decoy,GCR,Decoy,0,-7.27423,-3.52,-4.29,-3.4248354123701787
Cc1ccc(C(=O)N(/N=C/c2ccc(Br)cc2)c2nc3ccccc3s2)c(C)c1,C39713121_decoy,GCR,Decoy,0,-7.26421,-3.08,-1.81,-3.2883120729411104
O=C(c1cc(Cl)sc1Cl)N(/N=C/c1cccs1)c1nc2ccc(Cl)cc2s1,C39713440_decoy,GCR,Decoy,0,-12.463,-4.3,-4.52,-5.525036693651066
Cc1ccc(C(=O)N(/N=C/c2cccs2)c2nc3ccc(Br)cc3s2)c(C)c1,C39713729_decoy,GCR,Decoy,0,-10.7529,-3.51,-3.42,-4.771018461575949
Cc1ccc2nc(N(/N=C/c3ccccc3)C(=O)c3sc4ccccc4c3Cl)sc2c1,C39714180_decoy,GCR,Decoy,0,-9.46269,-4.58,-1.5,-4.877368960949297
Cn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1csc2c1CCCCC2,C39966255_decoy,GCR,Decoy,0,-12.9979,-5.44,-3.58,-6.363710861764536
CCc1cc(Br)ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3C)N=C2C)o1,C58833055_decoy,GCR,Decoy,0,-11.3907,-5.15,-5.91,-4.933224369456778
Cc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)c1,C58833788_decoy,GCR,Decoy,0,-6.92431,-3.44,-5.16,-2.860536444131614
O=c1/c(=C/c2ccco2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1,C58856627_decoy,GCR,Decoy,0,-6.2937,-3.03,-1.35,-2.310998714288377
C[C@H](Sc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1)C(=O)N1CCCCC1,C58961502_decoy,GCR,Decoy,0,-9.79779,-10.43,-3.9,-10.259748857604007
CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)S[C@@H](c1ccc(C(C)(C)C)cc1)c1ccccc12,C59126391_decoy,GCR,Decoy,0,-10.6408,-5.12,-5.62,-4.96632389782707
O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1,C13929666_decoy,GCR,Decoy,0,-12.6231,-10.55,-2.74,-11.547235891684046
CN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)S/C1=N\c1ccccc1Cl,C59220209_decoy,GCR,Decoy,0,-6.10711,-2.88,-4.59,-2.5236389487538498
O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1,C59399026_decoy,GCR,Decoy,0,-10.8706,-3.26,-3.14,-4.279729086044584
Cc1cc(/C=C2/C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1,C59426009_decoy,GCR,Decoy,0,-10.8015,-6.17,-3.23,-6.420443720426786
Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)N(C4CCCCC4)C3=O)c2C)cc1,C59433602_decoy,GCR,Decoy,0,-6.64373,-3.57,-4.02,-3.103712686974162
O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1,C12428394_decoy,GCR,Decoy,0,-11.4448,-4.2,-1.36,-4.784551023685925
Cc1cc(C)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc2c1,C04137885_decoy,GCR,Decoy,0,-10.7392,-4.55,-0.59,-3.9311249687647134
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,C01057502_decoy,GCR,Decoy,0,-8.85654,-3.46,-2.12,-3.5832940255917816
Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)cc1,C01042116_decoy,GCR,Decoy,0,-8.19401,-4.18,-4.06,-3.970378548987836
CCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3,C02339682_decoy,GCR,Decoy,0,-10.3052,-3.16,-1.2,-3.951911128206436
Brc1ccc(COn2c(-c3ccccc3)nc3ncccc32)cc1,C01396602_decoy,GCR,Decoy,0,-8.91074,-4.66,-1.72,-4.363449255836741
O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1,C04664746_decoy,GCR,Decoy,0,-10.753,-3.56,-9.18,-5.053060120701837
CC1=CC(=NOC(=O)c2ccc(I)cc2)C=C(C)C1=O,C01184646_decoy,GCR,Decoy,0,-8.78363,-3.95,-2.42,-4.039241888110946
CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1,C04808866_decoy,GCR,Decoy,0,-9.27924,-3.4,-1.36,-4.2009197097626
COc1ccc(Cl)cc1N(C)C(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3,C05035064_decoy,GCR,Decoy,0,-9.99977,-4.39,-3.34,-4.524704252878511
CC1(C)Cc2nc3sc4c(SC5CCCCC5)ncnc4c3cc2CO1,C02395979_decoy,GCR,Decoy,0,-11.9878,22.02,-2.29,3.102611149965311
O=C(CSc1ncnc2c1oc1ccccc12)c1cc(Cl)sc1Cl,C02405722_decoy,GCR,Decoy,0,-8.51675,-7.72,-2.99,-6.883931540583784
Cc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccco3)n2)cc1,C01406749_decoy,GCR,Decoy,0,-7.24217,-4.29,-2.25,-3.818075107177658
C[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1,C01944973_decoy,GCR,Decoy,0,-10.0759,-1.45,-1.95,-2.956383496691431
Cc1ccc(-c2cnc3cc(-c4sccc4-n4c(C)ccc4C)nn3c2)cc1,C01386197_decoy,GCR,Decoy,0,-10.1331,-3.72,-3.54,-3.873335993307405
O=C1CCCC[C@@H]1Sc1nnc(-c2ccccc2F)n1C1CCCCC1,C03290986_decoy,GCR,Decoy,0,-8.09079,-3.83,-2.74,-3.769202312229432
O=C1CCCC[C@H]1Sc1nnc(-c2ccccc2Cl)n1C1CCCC1,C03292067_decoy,GCR,Decoy,0,-9.55197,-4.09,-3.13,-4.514279361549297
C[C@@H]1CCc2c(sc3ncnc(OCC(=O)c4ccc(Cl)s4)c23)C1,C03312550_decoy,GCR,Decoy,0,-11.7476,-3.49,-3.2,-4.790402697486406
Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccco3)O2)cc1,C06721319_decoy,GCR,Decoy,0,-7.21485,-8.72,-3.08,-11.36278815519214
Cc1cccn2c(=O)cc(CSc3nc4cc(Cl)ccc4s3)nc12,C07134945_decoy,GCR,Decoy,0,-9.42561,-7.53,-4.08,-7.093274933997834
C#CCn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc(C)cc(C)c21,C07350591_decoy,GCR,Decoy,0,-10.6881,-3.54,-3.21,-3.9802013398322855
Cc1cccc(C(=O)N(/N=C/c2cccs2)c2nc3ccccc3s2)c1,C07510600_decoy,GCR,Decoy,0,-9.2008,-3.23,-4.34,-4.057033038199222
COc1ccc(Cl)c2s/c(=N\C(=O)c3ccc(SC)cc3)n(C)c12,C09325869_decoy,GCR,Decoy,0,-10.2248,-7.16,-0.77,-9.732118413504768
Cc1ccc2c(COC(=O)c3ccc(Br)s3)cc(=O)oc2c1C,C09606687_decoy,GCR,Decoy,0,-10.3828,-3.06,-0.7,-4.224566834510581
Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)cccc3s2)cc1C,C10887398_decoy,GCR,Decoy,0,-10.0003,-3.08,-1.47,-3.924570148295096
O=C(C1CCCCC1)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1,C11139599_decoy,GCR,Decoy,0,-9.82405,-3.84,-4.44,-4.515169163526339
Cc1cc(C)c(C)c(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1,C11566368_decoy,GCR,Decoy,0,-9.44738,-7.95,-0.92,-8.871004035155096
Cc1ccc2nc(CSc3nc(C(F)(F)F)nc4ccccc34)cn2c1,C08424958_decoy,GCR,Decoy,0,-8.55662,-9.06,-3.47,-8.400201428137677
O=c1/c(=C/c2cc(OC(F)F)ccc2Cl)sc2nc3ccccc3n12,C09097156_decoy,GCR,Decoy,0,-9.06693,-2.53,-0.68,-3.182059826399048
Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@H]21,C13563391_decoy,GCR,Decoy,0,-9.01006,-5.04,-4.76,-4.144559522448529
Cc1nc2sccn2c1-c1nc(C2CCCC2)c(C(=O)C(C)(C)C)s1,C16035486_decoy,GCR,Decoy,0,-10.5768,-4.33,-2.65,-4.916632736262487
CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2,C16779155_decoy,GCR,Decoy,0,-10.1779,-4.13,-1.74,-4.729721327506969
Cc1ccc(C(=O)N(Cc2ccco2)c2nc3cc(C)cc(C)c3s2)cc1,C22897888_decoy,GCR,Decoy,0,-8.97361,-4.04,-4.62,-4.144648875765426
O=c1c2cc(-c3ccccc3)sc2ncn1Cc1cc2ccccc2nc1Cl,C22985705_decoy,GCR,Decoy,0,-9.91997,-4.61,-1.31,-4.55010730784144
CC(=O)c1c(C)cc(C)c(CSc2nnc3c(Cl)cc(Cl)cn23)c1C,C26261123_decoy,GCR,Decoy,0,-10.1929,-8.33,-1.38,-8.67839703048557
c1ccc(-c2noc(CN3CCc4sccc4[C@@H]3c3cccs3)n2)cc1,C15548789_decoy,GCR,Decoy,0,-10.5104,-9.51,-3.67,-4.991388359072178
Clc1ccc(OCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1,C27526405_decoy,GCR,Decoy,0,-9.66525,-10.64,-3.33,-14.637876032785025
O=C(Cn1c(Cc2cccc3ccccc23)nc2ccccc21)N1CCCCC1,C27696474_decoy,GCR,Decoy,0,-9.81755,-5.39,-2.7,-4.840940293282907
O=C(Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1)c1cccs1,C32089433_decoy,GCR,Decoy,0,-10.1839,-10.63,-0.82,-13.225247919410837
CCc1cc2c(N3CCN(c4cc(Cl)ccc4C)CC3)ncnc2s1,C33078211_decoy,GCR,Decoy,0,-10.6424,-3.72,-2.79,-4.450862522626261
CCC1=C(C)Cc2sc3c(c21)c(=O)n(CC(C)C)c(=O)n3C1CCCC1,C34730955_decoy,GCR,Decoy,0,-5.01425,-1.58,-3.37,-1.820187855093795
CC(C)Sc1cc(N2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccccc2Cl)n1,C04671271_decoy,GCR,Decoy,0,-9.44782,10.43,-3.15,0.39936455487234
N#CCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3,C06073416_decoy,GCR,Decoy,0,-11.1594,-3.75,-2.28,-4.866639862550623
O=C1N=C(c2ccc(-c3ccccc3Cl)o2)N=C2S[C@@H]3CCCCC3=C12,C39280231_decoy,GCR,Decoy,0,-10.288,-4.69,-2.29,-4.022722787012822
C=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccn1,C39862597_decoy,GCR,Decoy,0,-9.62689,-3.75,-1.19,-4.5361526308495845
CCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1nc(C)cs1,C39865353_decoy,GCR,Decoy,0,-7.72863,-2.59,-3.78,-2.9286483729372628
CCCN1CCCc2cc(/C=C3\SC(N4CCC(C)CC4)=NC3=O)ccc21,C40113683_decoy,GCR,Decoy,0,-11.5723,-9.62,-5.39,-9.891679733347102
Clc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=Nc3ncnn32)cc1,C04591832_decoy,GCR,Decoy,0,-10.2146,-8.39,-3.7,-7.45203620996828
O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccc(Cl)cc1)C3,C57322420_decoy,GCR,Decoy,0,-10.1306,-2.33,-0.83,-3.364384704384752
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(C)s2)N1C(C)(C)C,C59055758_decoy,GCR,Decoy,0,-9.68549,-4.57,-2.67,-4.642187220319811
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccc(C)cc2)cc1,C59232500_decoy,GCR,Decoy,0,-6.37857,-4.63,-2.49,-3.4717355976095727
Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl,C01800523_decoy,GCR,Decoy,0,-10.0015,-3.04,-0.69,-3.965278489821845
CCc1ccc(-c2csc(N/N=C(/C)c3ccc(Br)s3)n2)cc1,C04535949_decoy,GCR,Decoy,0,-11.6857,-8.79,-0.63,-11.051508816143077
Brc1ccc(-c2nc(NCCC3=CCCCC3)c3ccccc3n2)cc1,C00753817_decoy,GCR,Decoy,0,-10.8724,-0.68,-1.9,-4.392189047692992
N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCC1(O)CCCCC1,C05426252_decoy,GCR,Decoy,0,-11.1722,-4.27,-2.89,-4.962754507815742
FC(F)(F)c1cc(-c2ccc([C@H]3Nc4ccccc4-n4cccc43)o2)cc(C(F)(F)F)c1,C05390428_decoy,GCR,Decoy,0,-7.96745,-4.36,-4.04,-3.737147383993897
Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C05929927_decoy,GCR,Decoy,0,-11.9201,-3.93,-3.07,-4.944350416276558
O=C(C1=NNC[C@@H]1c1c2ccccc2cc2ccccc12)c1cc2ccccc2c2ccccc12,C08647948_decoy,GCR,Decoy,0,-10.5206,-5.12,-3.54,-4.773116235338469
O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2c(Br)cccc12,C08989958_decoy,GCR,Decoy,0,-11.8902,1.8,-2.67,-3.595351475735292
O=C(Cc1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12,C09289334_decoy,GCR,Decoy,0,-8.29597,-7.75,-2.21,-5.493508962918169
O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(Br)ccc1Cl,C03274659_decoy,GCR,Decoy,0,-10.7176,-2.75,-1.9,-4.481024048342345
O=C1/C(=C/c2ccccc2)CC[C@]12C[C@@H]1CCC[C@H](C3=CCCCC3)[C@]1(O)O[C@@H]2c1ccccc1,C12657150_decoy,GCR,Decoy,0,-7.44063,-3.72,-2.19,-3.4694218283344807
O=C(CSc1nc2c(Cl)cc(Cl)cc2s1)Nc1cc(Cl)cc(Cl)c1,C02156925_decoy,GCR,Decoy,0,-13.6488,-8.09,-3.7,-10.20211170959625
Cc1cc(Br)ccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl,C01156729_decoy,GCR,Decoy,0,-10.4256,-3.43,-2.03,-4.694257364124892
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Br)cc1Cl,C14272980_decoy,GCR,Decoy,0,-12.1428,-3.94,-2.47,-4.867010792450479
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1,C14463558_decoy,GCR,Decoy,0,-10.2402,-3.07,-3.49,-4.07781660783073
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2)c1ccccc1,C14547093_decoy,GCR,Decoy,0,-10.5364,-2.7,-4.7,-4.062963851719895
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2)c1ccccc1,C14547096_decoy,GCR,Decoy,0,-10.0628,-3.73,-3.18,-4.466204831664644
Cc1cc(I)cc(/C=N/c2ccc(Oc3ccc(Cl)cc3)cc2)c1O,C16269538_decoy,GCR,Decoy,0,-11.1012,-4.16,-1.21,-4.687062613298415
Cl/C(=C\c1ccccc1)c1nc2ccc(Br)cn2c1NC1CCCCC1,C20138835_decoy,GCR,Decoy,0,-9.56017,-7.82,-4.04,-8.334777172994285
CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C/c3ccc(Br)s3)csc2C1,C02765146_decoy,GCR,Decoy,0,-12.0655,-6.53,,99.0
C/C(=N\NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc(C(C)C)cc1,C20550173_decoy,GCR,Decoy,0,-10.116,-2.46,-5.35,-5.820819084283083
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(OC(C)C)cc4[C@@H]4C=CC[C@H]43)ccc21,C20685130_decoy,GCR,Decoy,0,-10.1435,-3.22,-1.27,-4.373779676567933
CCN(CC)c1ccc([C@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]23)cc1,C20696772_decoy,GCR,Decoy,0,-11.7037,-1.85,-2.67,-4.035952167608548
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2)c1ccccc1,C20708674_decoy,GCR,Decoy,0,-10.0473,-2.6,-1.83,-3.81179417935647
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2)c1ccccc1,C20712871_decoy,GCR,Decoy,0,-11.1597,-2.56,-2.08,-4.265817914956642
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(C2SCCCS2)cc1,C24107371_decoy,GCR,Decoy,0,-12.8755,-4.6,-1.77,-5.8683935010959525
O=C(Nc1cc(F)ccc1F)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,C03086226_decoy,GCR,Decoy,0,-10.7744,-8.06,-2.0,-8.382324435714674
CC1CC[NH+]([C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)n([O-])c3ccccc23)CC1,C33513781_decoy,GCR,Decoy,0,-5.06529,-3.68,-2.69,-2.5686802127950923
COc1c(Br)cc(Cl)cc1N[C@@H](C)c1cccc(Br)c1,C36981880_decoy,GCR,Decoy,0,-10.1013,-2.79,-0.62,-4.069561483198864
Clc1cc(I)ccc1N[C@H](c1ccccc1)c1ccco1,C37105414_decoy,GCR,Decoy,0,-8.11173,-8.14,-3.81,-7.626993389972109
Brc1ccc2sc(Nc3cccc(I)c3)nc2c1,C37204404_decoy,GCR,Decoy,0,-10.513,-7.64,-0.68,-7.54186786701213
Clc1cc(Cl)c2c(c1)[C@@H](Nc1cccc(I)c1)CCO2,C37248089_decoy,GCR,Decoy,0,-10.0982,-7.44,-2.31,-8.37853055599788
O=C(Nc1ccc(I)cc1)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12,C17206578_decoy,GCR,Decoy,0,-9.87452,-3.75,-2.06,-4.408616177008483
C/C(=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)c(Cl)c1,C39959598_decoy,GCR,Decoy,0,-12.3209,-7.08,-1.69,-7.8574604002189155
Oc1c(Br)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1,C01862792_decoy,GCR,Decoy,0,-10.4222,-4.43,-0.81,-7.110700365786581
Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1cccc2ccccc12,C01947852_decoy,GCR,Decoy,0,-10.0111,-6.07,-2.37,-5.319924986116002
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(C)cc3)cc1)N2,C58928671_decoy,GCR,Decoy,0,-10.1456,-3.85,-1.88,-4.322051439834
Cc1ccc(SCC(=O)Nc2ccc(-c3nc4cc(C)ccc4s3)cc2)cc1,C18051649_decoy,GCR,Decoy,0,-11.7897,17.38,-1.3,2.001946149822111
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1,C17094318_decoy,GCR,Decoy,0,-10.1424,6.23,-0.94,-1.2819189160657702
CSc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1,C59198946_decoy,GCR,Decoy,0,-11.0638,-2.66,-1.68,-4.742413700015898
Brc1ccc(/N=C(\Nc2ccc(Br)cc2)S[C@H]2C=CCCC2)cc1,C59225327_decoy,GCR,Decoy,0,-11.2593,-7.62,-1.5,-9.992266522117683
Oc1cc(Cl)ccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1,C59249602_decoy,GCR,Decoy,0,-11.9762,-3.91,-2.16,-4.779829082700152
Cc1ccccc1NCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S,C59372213_decoy,GCR,Decoy,0,-6.64877,-5.48,-0.8,-3.903150608240649
Brc1ccc(NCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1,C59377006_decoy,GCR,Decoy,0,-9.30345,-8.02,-1.53,-8.482515261169947
O=C(N/N=C/c1cc(-c2ccccc2)sc1Cl)c1cc(F)c(F)cc1Cl,C59377578_decoy,GCR,Decoy,0,-11.1284,-9.78,-5.89,-11.07114010628728
C=CCSc1nc2ccc(/N=C/c3cc(Br)ccc3O)cc2s1,C59392465_decoy,GCR,Decoy,0,-12.4873,-2.9,-4.79,-4.880284588911952
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc2ccccc12,C20247418_decoy,GCR,Decoy,0,-10.4232,-11.5,-2.45,-9.886397194842656
Cc1ccc(CSc2nc3ccc(/N=C/c4ccccc4O)cc3s2)c(C)c1,C59505896_decoy,GCR,Decoy,0,-11.7343,-5.62,-3.25,-6.795445270229899
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1,C04063762_decoy,GCR,Decoy,0,-8.87575,-2.93,-2.1,-3.785054836229696
CC[C@@H](C)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1,C65004349_decoy,GCR,Decoy,0,-10.5462,10.93,-1.08,0.1775913933618433
C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](CO)CC[C@@H]12,C04104906_decoy,GCR,Decoy,0,-12.63,-2.54,-0.32,-4.30337379605708
O=C(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1ccc(Cl)cc1,C03125977_decoy,GCR,Decoy,0,-9.41453,-7.07,-2.55,-8.129303265999757
O=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1cccc(Cl)c1Cl,C04735590_decoy,GCR,Decoy,0,-10.3901,-4.02,-1.2,-4.504523984613541
O=C1NC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Cl)cc1Cl,C04754509_decoy,GCR,Decoy,0,-10.5499,-4.06,-1.72,-3.999163859754421
O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1c1ccc(Br)cc1,C03664239_decoy,GCR,Decoy,0,-9.67793,-3.03,-2.53,-3.52593005227419
Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1Br,C01159289_decoy,GCR,Decoy,0,-9.89139,-8.09,-1.16,-8.315586683407629
O=C(Nc1ccccc1Br)c1cc(-c2ccccc2)nc2ccccc12,C01200246_decoy,GCR,Decoy,0,-10.2157,-4.48,-4.45,-4.596128624524772
Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl,C01182463_decoy,GCR,Decoy,0,-9.55653,-7.42,-1.63,-8.982620083176261
CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccc(Cl)c1Cl,C05217593_decoy,GCR,Decoy,0,-10.6471,-6.01,-2.02,-4.719753888643311
Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c(Cl)c1,C05829877_decoy,GCR,Decoy,0,-9.41864,-1.78,-0.7,-3.501101929525023
Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2Br)c1,C07264578_decoy,GCR,Decoy,0,-9.08963,-7.99,-0.54,-12.699476391497498
O=C(Nc1nc2c(Br)cccc2s1)c1cccc(C(F)(F)F)c1,C07384442_decoy,GCR,Decoy,0,-9.01094,-3.76,-5.07,-4.054745452905452
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(I)cc2C)cc1,C08477643_decoy,GCR,Decoy,0,-8.99605,-8.48,-3.19,-7.271715928935639
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br,C08567548_decoy,GCR,Decoy,0,-9.76231,-7.93,-0.14,-8.675312166568288
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1,C01264158_decoy,GCR,Decoy,0,-9.67404,-4.3,-0.74,-4.759814921306076
Fc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1,C09391137_decoy,GCR,Decoy,0,-11.2487,-7.38,-1.94,-12.853156136272986
Brc1ccc(C2=Nc3ccccc3S[C@@H]2c2nc3ccccc3[nH]2)cc1,C09546482_decoy,GCR,Decoy,0,-9.43617,-3.69,-3.21,-3.85097881424494
CC(C)Sc1cccc(C(=O)Nc2nc3c(Br)cccc3s2)c1,C09619767_decoy,GCR,Decoy,0,-10.6182,-3.37,-4.12,-4.427932329597001
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2,C09833684_decoy,GCR,Decoy,0,-10.9753,-7.63,-4.13,-11.667419179116166
CC(C)(C)c1ccc(C(=O)NC(=S)N2CCCCCC2)cc1Br,C12500473_decoy,GCR,Decoy,0,-10.2919,-6.66,-4.24,-9.6251345633945
Brc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1,C13639315_decoy,GCR,Decoy,0,-10.9826,-3.01,-2.88,-4.386348275924533
Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1,C13710280_decoy,GCR,Decoy,0,-8.89154,-5.87,-3.15,-7.706114502915714
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549528_decoy,GCR,Decoy,0,-11.4284,-3.75,-2.57,-4.317682108409593
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2Br)cc1,C15303392_decoy,GCR,Decoy,0,-9.33328,-8.56,-1.55,-11.691272318500214
O=C(Nc1ccc(Br)cc1Br)c1nc(Cl)ccc1Cl,C15303627_decoy,GCR,Decoy,0,-10.2441,-8.53,-1.19,-8.171481199261288
Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Br)cc2C)cc1,C15649426_decoy,GCR,Decoy,0,-10.2267,-4.44,-1.21,-5.081332698563465
O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C12CC3CC(CC(C3)C1)C2,C16969429_decoy,GCR,Decoy,0,-10.4735,-3.54,-1.59,-4.510575571980799
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2,C20699194_decoy,GCR,Decoy,0,-10.0518,-3.45,-3.49,-4.21663847958882
O=C1CCCC2=C1[C@@H](c1cccs1)N(Cc1ccccc1F)c1ccccc1N2,C21722465_decoy,GCR,Decoy,0,-11.0166,-5.14,-3.63,-5.023094087590893
Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2Br)c1,C22744888_decoy,GCR,Decoy,0,-9.45901,-7.81,-1.4,-12.499731801375209
O=C(Cc1csc(-c2cccc(Cl)c2)n1)NC1C2CC3CC(C2)CC1C3,C24106919_decoy,GCR,Decoy,0,-10.686,-9.33,-4.25,-9.04772385112452
Cc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Br)cc12,C25390380_decoy,GCR,Decoy,0,-10.0745,-3.49,-2.31,-4.7181861436920896
CC(C)c1cccc(C(C)C)c1NC(=O)c1c2c(nc3ccccc13)CCCC2,C26779863_decoy,GCR,Decoy,0,-8.87227,-3.82,-2.18,-4.476506907965934
CC1CCN([C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(Cl)(Cl)Cl)CC1,C32620112_decoy,GCR,Decoy,0,-11.0171,-4.49,-2.26,-5.233742394716973
CCOc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)cc1,C33271108_decoy,GCR,Decoy,0,-10.1337,-3.76,-1.79,-4.017761826633312
COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC,C33733435_decoy,GCR,Decoy,0,-9.84373,-9.78,-0.42,-14.670441751151618
Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(F)c1,C36398726_decoy,GCR,Decoy,0,-10.8275,-8.46,-0.75,-9.150703510469585
O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cccc(Cl)c1Cl,C12914460_decoy,GCR,Decoy,0,-11.6659,-7.72,-2.16,-9.175943407538362
Clc1cc(CNc2ccc(Br)cc2Br)cc2c1OCO2,C36956896_decoy,GCR,Decoy,0,-10.2492,-7.36,-0.47,-11.091402482070889
Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C1(CCC2)SCCS1,C39851918_decoy,GCR,Decoy,0,-10.2482,-3.44,-1.02,-3.9860024166372017
Cc1cc(Br)ccc1NC(=O)[C@H](C)Sc1ccc2ccccc2n1,C45830245_decoy,GCR,Decoy,0,-9.65412,-3.59,-1.96,-4.635012197763511
COc1ccc2c(-c3ccncc3)c(-c3ccc(I)cc3)[nH]c2c1,C26992894_decoy,GCR,Decoy,0,-10.439,-3.43,-1.89,-4.365866965434416
[H]/N=C1\S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1c1cccc(C)c1,C15053184_decoy,GCR,Decoy,0,-11.1298,-5.11,-1.94,-4.98189695269537
Oc1ccc2cc(Br)ccc2c1/C=N/c1ccc(Br)cn1,C13756902_decoy,GCR,Decoy,0,-10.2022,-7.97,-2.05,-7.608557936007232
Cc1cc(Br)c(N[C@@H](C)C(=O)N2CCCCCC2)c(Br)c1,C57347956_decoy,GCR,Decoy,0,-9.58245,-7.72,-1.0,-9.014732008462916
COc1cc(Br)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O,C05174211_decoy,GCR,Decoy,0,-9.73563,-4.75,-1.33,-4.68437166242218
O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(F)c(Cl)c1,C06861855_decoy,GCR,Decoy,0,-9.05735,-8.82,-1.05,-7.938067891460821
Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl,C64985005_decoy,GCR,Decoy,0,-9.83549,-7.74,-1.95,-7.263444825783087
Cc1ccc(NC(=O)COc2ccc(Br)cc2C)c(Br)c1,C66201848_decoy,GCR,Decoy,0,-8.82541,-8.65,-1.26,-8.499650718593907
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1,C06421331_decoy2,GCR,Decoy,0,-10.6797,-4.66,,-4.707310205048823
C=CCNC(=S)c1c(-c2ccccc2)c2c3n(nc(-c4ccc(Br)cc4)n13)CCCC2,C02597967_decoy,GCR,Decoy,0,-9.86658,-2.35,-2.91,-3.991770803771909
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1Br,C08386279_decoy,GCR,Decoy,0,-10.5755,-3.76,-3.74,-4.861636292113131
C=CCNC(=S)c1c(-c2ccc(Br)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2,C01780659_decoy,GCR,Decoy,0,-12.4932,-3.54,-2.47,-5.40935834875973
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(Br)c1,C02799096_decoy,GCR,Decoy,0,-9.50185,-10.29,-1.97,-12.88391883281758
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C#N)C1,C02092929_decoy,GCR,Decoy,0,-12.2649,-2.35,-5.31,-4.798395224508861
O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2,C03054442_decoy,GCR,Decoy,0,-7.43998,-4.48,-3.96,-4.208393349390791
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Br)cc1,C02729738_decoy,GCR,Decoy,0,-10.0873,-4.93,-1.54,-4.68755392831546
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3cc(Cl)ccc3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl,C09035479_decoy,GCR,Decoy,0,-3.76029,-5.91,-1.92,-2.868492817853836
O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3cc(Cl)ccc3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl,C09035480_decoy,GCR,Decoy,0,-4.07454,-3.56,-4.74,-2.1544316311445577
N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1Cl,C06474332_decoy,GCR,Decoy,0,-10.5933,-5.26,-2.79,-7.501692435347446
O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12,C09203291_decoy,GCR,Decoy,0,-11.1586,-10.33,-2.75,-14.459066753182954
Cc1ccc(SCc2nc(-c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)oc2C)cc1,C09211917_decoy,GCR,Decoy,0,-12.9315,-3.09,-4.95,-4.977758597007483
Cc1sc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2c1-c1ccccc1,C11991146_decoy,GCR,Decoy,0,-11.2641,-5.65,-2.33,-5.688698468008587
Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1,C06245224_decoy,GCR,Decoy,0,-9.53224,-4.25,-0.91,-5.043062958879727
Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(-c3ccccc3Cl)c2C#N)cc1,C06245227_decoy,GCR,Decoy,0,-9.54257,-5.79,-3.4,-5.171585510203143
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccccc3)n2)cc1,C06246172_decoy,GCR,Decoy,0,-8.47872,-4.44,-4.6,-4.490502805372278
Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2)c1C#N,C06443363_decoy,GCR,Decoy,0,-5.47185,-3.42,-3.61,-2.983394624547194
O=C(Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12)c1ccccc1Cl,C13899012_decoy,GCR,Decoy,0,-9.55936,-4.06,-2.82,-4.488007328528701
N#Cc1c(NC(=O)c2cccc(COc3c(Cl)cc(Cl)cc3Cl)c2)sc2c1CCCC2,C02793236_decoy,GCR,Decoy,0,-11.7515,-3.84,-4.39,-5.161950990004449
O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1ccc(Cl)cc1Cl,C16429373_decoy,GCR,Decoy,0,-11.311,-3.99,-2.4,-4.895743175964487
O=C(NCCc1ccccc1)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@H]1c1ccccc1,C21539359_decoy,GCR,Decoy,0,-11.5173,-3.13,-3.96,-5.0103158549931575
O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl)c1ccc(F)c(F)c1,C25152306_decoy,GCR,Decoy,0,-8.05484,24.14,-3.62,5.562872869849871
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1,C32115606_decoy,GCR,Decoy,0,-12.2957,-4.45,-0.92,-5.535634681556899
O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cc(Cl)ccc1Cl,C32692255_decoy,GCR,Decoy,0,-9.4103,-6.85,-4.53,-7.487797849235602
COC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C)c1-c1ccc(Br)cc1,C02609288_decoy,GCR,Decoy,0,-11.0586,18.18,-3.8,3.067221488011321
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2,C14546760_decoy,GCR,Decoy,0,-10.7734,-3.99,-5.25,-4.474475556829374
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(NC(=O)c2cccs2)cc1,C39850904_decoy,GCR,Decoy,0,-11.7958,-3.44,-4.75,-4.668487928769497
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1cccc(NC(=O)c2cccs2)c1,C39850990_decoy,GCR,Decoy,0,-13.0564,-7.06,-1.69,-7.288117930908947
Cc1ccc(CN2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc(Cl)cc2Cl)cc1,C40340869_decoy,GCR,Decoy,0,-5.66794,-2.87,-2.48,-2.6728915575983314
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)N(Cc2ccc(Cl)cc2)C3=O)cc1,C40340886_decoy,GCR,Decoy,0,-12.2281,-3.58,-7.83,-5.207170739903733
O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(Cl)c(Cl)c1,C40902867_decoy,GCR,Decoy,0,-10.8001,-8.73,-1.18,-7.562933394028032
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2,C20750092_decoy,GCR,Decoy,0,-11.0095,-3.18,-4.97,-4.327497573375494
C[C@H]1C[C@@H](NC(=O)c2ccc(CSc3nc(-c4ccc(Cl)cc4)cs3)o2)CC(C)(C)C1,C57306887_decoy,GCR,Decoy,0,-12.5484,-6.36,-1.93,-7.872446274889177
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl,C28216513_decoy,GCR,Decoy,0,-9.81847,-5.55,-4.66,-5.930039825282585
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1)NC1CCCCC1,C58960346_decoy,GCR,Decoy,0,-11.5739,-8.61,-3.83,-9.437105250764736
Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1C,C58960842_decoy,GCR,Decoy,0,-8.08222,-6.36,-3.76,-6.085561391003245
Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H](C)C(=O)Nc3ccc(Br)cc3)n2)cc1,C58961229_decoy,GCR,Decoy,0,-9.99812,-7.92,-3.52,-8.631355377367392
C[C@H](Sc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1)C(=O)NC1CCCC1,C58961543_decoy,GCR,Decoy,0,-11.4418,-7.94,-3.52,-9.822183934099346
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1,C59225084_decoy,GCR,Decoy,0,-8.63924,-4.36,-3.61,-4.278181951483391
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1,C59240697_decoy,GCR,Decoy,0,-9.34583,-3.3,-5.17,-4.139437210993312
C#CCOc1c(Cl)cc(Cl)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2,C59246059_decoy,GCR,Decoy,0,-8.81285,-3.39,-4.28,-3.5504598905600573
C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2,C59246076_decoy,GCR,Decoy,0,-8.87111,-3.99,-3.45,-3.739256407665243
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1,C59292078_decoy,GCR,Decoy,0,-7.32458,-6.12,-1.37,-4.538182928070644
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1,C59313469_decoy,GCR,Decoy,0,-11.8646,-3.73,-2.43,-5.472288014178716
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl,C59417842_decoy,GCR,Decoy,0,-10.1075,-9.79,-3.46,-9.155228178917593
CC(C)(C)NC(=O)CSc1nc2ccc(/N=C/c3c4ccccc4cc4ccccc34)cc2s1,C59517480_decoy,GCR,Decoy,0,-12.7936,-3.61,-3.85,-5.516516088205993
C/C(Nc1ccccc1Sc1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1,C20288281_decoy,GCR,Decoy,0,-6.51891,-3.23,-4.92,-3.0832860668309303
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1,C59718578_decoy,GCR,Decoy,0,-9.87376,-5.19,-1.22,-5.142255274898076
CC(=O)c1c(C)cc(C)c(CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c1C,C59854752_decoy,GCR,Decoy,0,-10.3572,-3.16,-4.97,-4.106041763518021
CN(C(=O)CSC1=N[C@H](c2ccccc2)[C@@H]2CCC/C(=C\c3ccccc3)C2=[NH+]1)c1ccccc1,C67191214_decoy,GCR,Decoy,0,-8.88866,-3.01,-4.78,-5.362762236002916
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccs1)Nc1ccc3ncccc3c12,C01440479_decoy,GCR,Decoy,0,-5.64777,-4.45,-3.88,-2.67361312052164
O=C(Nc1ccc(F)c(Cl)c1)N1CCS[C@H]1c1ccc(Cl)cc1Cl,C04461235_decoy,GCR,Decoy,0,-9.89408,-6.62,-0.53,-6.575398823533531
O=C1C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C=NN[C@@]12c1ccccc1,C01584196_decoy,GCR,Decoy,0,-9.9756,-2.48,-2.07,-3.74310316892878
Cc1ccc(/C=N/c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)s1,C00681066_decoy,GCR,Decoy,0,-10.8637,-6.46,-0.95,-6.878751369539848
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)cc2)cc1,C04722834_decoy,GCR,Decoy,0,-9.37408,-3.97,-2.9,-6.294266268417408
Cc1cc(Br)ccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCC3,C05034892_decoy,GCR,Decoy,0,-10.9393,-10.18,-1.24,-9.436770969775711
O=C1C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C=NN[C@]12c1ccccc1,C01584199_decoy,GCR,Decoy,0,-9.33418,12.83,-2.17,1.2741307449335553
C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Br)cc1,C02640764_decoy,GCR,Decoy,0,-9.49265,-2.89,-0.75,-4.145653961353234
S=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl,C08795532_decoy,GCR,Decoy,0,-10.5809,-6.92,-1.36,-8.46652884364337
C[C@H]1CCc2c(sc(NC(=O)c3cccc(I)c3)c2C#N)C1,C01119430_decoy,GCR,Decoy,0,-10.2867,-4.13,-3.15,-4.211459439326788
O=C(Nc1ccc(N2CCCC2)cc1)c1cc(I)ccc1Cl,C01165862_decoy,GCR,Decoy,0,-10.4435,-3.86,-1.47,-4.608952381816853
O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccccc1Br,C10694717_decoy,GCR,Decoy,0,-9.97492,-3.68,-2.21,-4.397613424868993
Cc1cc(C)cc(NC(=O)COc2c(C)cc(Br)cc2Br)c1,C12486324_decoy,GCR,Decoy,0,-9.91048,-8.33,-1.89,-8.79041849120185
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1I,C03254379_decoy,GCR,Decoy,0,-9.83358,-3.91,-5.46,-4.199605104133138
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2,C12629972_decoy,GCR,Decoy,0,-11.0484,-6.12,-1.53,-5.385469152621925
Cc1ccsc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2,C01108449_decoy,GCR,Decoy,0,-7.20641,-3.52,-3.0,-2.649862594185201
O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Cl)cc1Cl,C06756435_decoy,GCR,Decoy,0,-10.0432,-9.16,-1.11,-9.23150045184731
COc1cc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc(Br)c1O,C13141397_decoy,GCR,Decoy,0,-9.66716,-4.64,-2.52,-4.514331085404103
O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)Nc1ccc(F)cc1,C04923761_decoy,GCR,Decoy,0,-10.5344,-5.01,-3.5,-5.085187163059902
C[C@]12CC[C@@H](O[C@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CO)CC[C@@H]12,C13423840_decoy,GCR,Decoy,0,-11.0999,-2.53,-1.37,-3.886384725318501
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2)c1ccccc1,C14456889_decoy,GCR,Decoy,0,-9.20614,-3.1,-3.74,-3.9235892965152894
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464591_decoy,GCR,Decoy,0,-10.7462,-3.2,-1.64,-4.455033992508144
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464593_decoy,GCR,Decoy,0,-10.6112,13.19,-0.74,0.8465796485330767
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549525_decoy,GCR,Decoy,0,-12.0119,-3.07,-1.83,-4.638213922836952
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)c1ccccc1,C14551663_decoy,GCR,Decoy,0,-9.57856,-3.21,-4.02,-4.099651029189156
CSc1ccc([C@@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1,C14552328_decoy,GCR,Decoy,0,-8.84034,-2.83,,99.0
CC(C)Oc1ccc(C(=O)Nc2ccc(Br)cc2Br)cc1,C15303500_decoy,GCR,Decoy,0,-10.0497,-8.73,-1.49,-8.640422848044313
Cc1cc(Br)cc(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl,C01185138_decoy,GCR,Decoy,0,-10.4223,-2.82,-1.75,-4.392592390777631
O=C(Nc1ccc(OC(F)F)cc1)c1cc(Br)c(Br)s1,C15993226_decoy,GCR,Decoy,0,-9.80027,-3.44,-0.55,-4.105397202706438
Brc1ccc(Nc2nc(-c3cccnc3)cs2)c(Br)c1,C01210643_decoy,GCR,Decoy,0,-9.96561,-8.02,-1.41,-11.388299498764804
CCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1,C20132519_decoy,GCR,Decoy,0,-11.0913,-7.61,-1.35,-8.537556703665889
Brc1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20681173_decoy,GCR,Decoy,0,-10.906,-2.67,-3.89,-4.185952909262831
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2,C20754057_decoy,GCR,Decoy,0,-11.5282,-4.13,-4.29,-4.572039201829495
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2)c1ccccc1,C20758458_decoy,GCR,Decoy,0,-9.76849,-3.23,-3.4,-4.021195176450068
Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Br)cc2)cc1,C20883706_decoy,GCR,Decoy,0,-10.6694,-2.89,-2.92,-3.8605066018403553
Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(F)(F)F)cc2)cc1,C21220099_decoy,GCR,Decoy,0,-9.0924,1.67,-0.8,-2.650236828059484
CN(Cc1ccc(Br)cc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1,C26295866_decoy,GCR,Decoy,0,-8.6103,-8.01,-1.08,-6.947780628406646
Clc1cc(Cl)c(NCc2cc3c(cc2Br)OCO3)c(Cl)c1,C35452261_decoy,GCR,Decoy,0,-9.8042,-8.19,-2.72,-14.102505628835504
Oc1ccc(Cl)cc1CN1CCCn2cccc2[C@H]1c1ccccc1C(F)(F)F,C36348506_decoy,GCR,Decoy,0,-9.71687,-7.94,-1.0,-8.600321423005248
Fc1ccc(CNc2c(Cl)cc(Cl)c3nsnc23)cc1Br,C37129197_decoy,GCR,Decoy,0,-10.4189,-7.85,-1.76,-8.363355394600829
Cc1cc(Br)c(NCc2ccc3c(c2)OCO3)c(Br)c1,C37325584_decoy,GCR,Decoy,0,-8.94905,-7.71,-0.59,-9.443449733492352
Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CSc2ccccc2)cc1,C08599909_decoy,GCR,Decoy,0,-7.22184,-3.78,-2.73,-3.484947229671339
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Cl)cc1,C39436291_decoy,GCR,Decoy,0,-10.873,-2.6,-5.1,-4.117783445665901
Cc1cc(Br)c(NC(=O)COc2cc(C)ccc2C)c(Br)c1,C39585569_decoy,GCR,Decoy,0,-10.0188,-8.12,-2.74,-14.749156337414435
Cc1cc2nc([C@@H](O)c3ccccc3)n(Cc3ccc(Br)cc3)c2cc1C,C40310094_decoy,GCR,Decoy,0,-9.57737,-6.66,-2.46,-7.252867772664836
C[C@H](NC(=O)N(C)Cc1cc(Br)cs1)c1ccc(Cl)s1,C46598264_decoy,GCR,Decoy,0,-10.5142,-6.72,-0.85,-8.763408588736686
N#Cc1c(/N=C/c2cc(Br)cc(Cl)c2O)sc2c1CCCC2,C00858071_decoy,GCR,Decoy,0,-10.3353,-4.31,-2.04,-4.371976671720116
CC1(C)c2cc(Br)ccc2N2CCC(O)=N[C@@]21/C=C/c1ccc(F)cc1,C04811849_decoy,GCR,Decoy,0,-10.5705,-5.63,-0.65,-4.836474982382399
Cc1cc2c(cc1C)N(Cc1cc(F)cc(F)c1)C(=O)C=C(c1cccs1)N2,C64869035_decoy,GCR,Decoy,0,-10.7316,-3.69,-2.75,-4.36511742713797
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1Cl,C64985204_decoy,GCR,Decoy,0,-9.44363,-3.52,-0.87,-4.453202574315202
Cc1ccc(Cn2cc(SCC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1,C04059718_decoy,GCR,Decoy,0,-9.959,-9.75,-4.51,-5.02172210211881
Cc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)c(C(C)C)c1,C04066925_decoy,GCR,Decoy,0,-9.81921,-7.54,-0.9,-8.77122011176802
C[C@@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)c2ccc(C(C)(C)C)cc2)C1,C03426843_decoy,GCR,Decoy,0,-10.339,-1.69,-1.68,-3.820636333733189
C[C@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)c2ccc(C(C)(C)C)cc2)C1,C03426841_decoy,GCR,Decoy,0,-11.1279,-2.57,-1.59,-4.499682656242474
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(Br)c1,C01787267_decoy,GCR,Decoy,0,-8.72785,-10.33,-0.95,-12.948786538226878
Cc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccccc3)cc(-c3cccs3)nc12,C04554459_decoy,GCR,Decoy,0,-7.04919,12.95,-4.48,1.906469774381169
Cc1ccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1C,C04570854_decoy,GCR,Decoy,0,-10.3721,-6.77,-3.09,-8.026858888791166
Cc1ccc(Sc2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1,C03035160_decoy,GCR,Decoy,0,-10.0789,-8.5,-2.93,-8.991125350378343
CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1,C04736791_decoy,GCR,Decoy,0,-9.03806,-3.9,-2.16,-4.340974749279478
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1,C04817181_decoy,GCR,Decoy,0,-10.3161,-6.32,-4.18,-7.056220102412602
O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl,C05003585_decoy,GCR,Decoy,0,-10.7747,-7.49,-2.51,-9.707431472313823
O=C(N/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1,C05809116_decoy,GCR,Decoy,0,-7.65231,-3.76,-3.35,-3.796599039024368
Cc1cc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12,C07813472_decoy,GCR,Decoy,0,-9.90996,-5.66,-2.13,-5.631628644795208
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc12,C08812544_decoy,GCR,Decoy,0,-11.046,-3.75,-4.22,-4.775164352139407
Cc1cc(C)cc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)c1,C08854445_decoy,GCR,Decoy,0,-11.1035,-8.06,-2.13,-7.70203735992236
O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1,C08906800_decoy,GCR,Decoy,0,-10.7709,-3.85,-4.24,-4.341501502285111
O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc2c(c1)CCCC2,C09391424_decoy,GCR,Decoy,0,-10.4734,-6.04,-3.63,-5.488118786924794
O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1cccs1,C09944302_decoy,GCR,Decoy,0,-10.6971,-3.7,-4.71,-4.586523423673738
CCSc1ccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)cc1,C10695289_decoy,GCR,Decoy,0,-11.2324,-1.69,-2.52,-5.280063475089238
C[C@H](NC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1)c1ccccc1,C06782010_decoy,GCR,Decoy,0,-6.79788,-6.24,-6.25,-4.446631499200144
CC(C)(C)c1cc(C(=O)Cn2c(=S)sc3ccccc32)cc(C(C)(C)C)c1O,C06858831_decoy,GCR,Decoy,0,-11.623,-6.83,-4.24,-13.535679047597922
Cc1ccsc1[C@@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@@H]21,C14456096_decoy,GCR,Decoy,0,-10.1736,-8.5,-5.0,-9.816148883067935
CCOCCOc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21,C14477224_decoy,GCR,Decoy,0,-10.9287,-2.43,-2.5,-4.239197423050906
CCOCCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21,C14477772_decoy,GCR,Decoy,0,-11.589,-3.28,-2.7,-4.821385520187052
CCOCCOc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21,C14477773_decoy,GCR,Decoy,0,-10.5507,-3.52,-1.43,-4.689591724689299
CCOCCOc1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21,C14546974_decoy,GCR,Decoy,0,-10.2932,-3.43,-3.22,-4.6094718914261525
Cc1cc(C)c(NC(=O)c2cc(Br)ccc2OCCC(C)C)c(C)c1,C14650404_decoy,GCR,Decoy,0,-9.79981,-9.19,-1.45,-9.954197012552925
O=C(/C=C/c1ccccc1)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl,C16790438_decoy,GCR,Decoy,0,-9.93353,-9.24,-1.79,-11.785352012649597
O=C(N/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1,C17176599_decoy,GCR,Decoy,0,-8.67757,-3.05,-4.07,-3.943955902520883
C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(Br)cc1,C19295654_decoy,GCR,Decoy,0,-10.4314,-3.8,-4.97,-4.685177438432712
Cc1ccsc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@@H]12,C20688387_decoy,GCR,Decoy,0,-10.3382,-8.74,-2.99,-11.529457790279135
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2)c1ccccc1,C20692633_decoy,GCR,Decoy,0,-11.0216,-3.31,-1.8,-4.491238049435708
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2,C20750335_decoy,GCR,Decoy,0,-11.1357,-3.8,-2.05,-4.807815760306648
CCOCCOc1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@@H]21,C20750371_decoy,GCR,Decoy,0,-10.2957,-3.37,-2.54,-4.652709265083441
CC1CCC(NC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCCCC4)cc2)CC1,C33031552_decoy,GCR,Decoy,0,-10.7902,-3.15,-3.67,-4.348310812153437
Cc1cc(C)c(NC(=O)CSCc2csc(-c3ccccc3)n2)c(Cl)c1,C36391244_decoy,GCR,Decoy,0,-10.0519,-9.51,-4.28,-8.941240645920846
COC(=O)c1cc(Cl)ccc1N[C@H](C)c1ccc(I)cc1,C37275571_decoy,GCR,Decoy,0,-9.32085,-7.04,-2.53,-7.980542783968823
COC(=O)c1ccc(Cl)cc1N[C@@H](C)c1ccc(I)cc1,C37277145_decoy,GCR,Decoy,0,-9.12649,-7.35,-2.47,-10.46389919898953
O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NC1CCCCC1,C40869652_decoy,GCR,Decoy,0,-10.9628,-8.81,-5.27,-9.064012773183492
CC(C)c1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1,C57317015_decoy,GCR,Decoy,0,-10.482,-3.35,-4.43,-4.331968084862951
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)s1,C06339818_decoy,GCR,Decoy,0,-12.0881,-9.06,-4.0,-15.114981991238691
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2,C36080675_decoy,GCR,Decoy,0,-11.1951,-2.56,-4.65,-4.357952864767816
Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2,C06846488_decoy,GCR,Decoy,0,-11.4696,-4.45,-2.59,-5.113600264234971
CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)cs1,C33782119_decoy,GCR,Decoy,0,-11.3654,-8.42,-1.29,-8.854555368114958
Cc1ccc(-c2csc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1,C33619052_decoy,GCR,Decoy,0,-9.79489,-3.84,-1.35,-4.783068833239515
O=C(Nc1ccc(F)c(F)c1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1,C64472753_decoy,GCR,Decoy,0,-11.5503,-4.0,-1.24,-4.704207464027277
CSc1cccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c1,C64872301_decoy,GCR,Decoy,0,-11.5126,-4.15,-2.21,-5.026189563927409
CCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1,C65001316_decoy,GCR,Decoy,0,-9.5372,10.25,-0.95,0.3261520189223239
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2Br)c1,C65001837_decoy,GCR,Decoy,0,-9.45041,-8.42,-1.85,-8.1753699182502
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc1C,C65001838_decoy,GCR,Decoy,0,-9.70012,-4.91,-3.0,-5.635298155107451
N#CC(C#N)=C(Nc1ccc(Cl)cc1Cl)SCc1ccc(Br)cc1,C02341205_decoy,GCR,Decoy,0,-11.13,-7.13,-3.13,-9.924382506162914
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1cccs1,C04814276_decoy,GCR,Decoy,0,-11.6905,-4.03,-4.44,-5.287481813429363
CC(C)c1ccc(-c2csc3nc(SCc4ccc(F)cc4)[nH]c(=O)c23)cc1,C05238808_decoy,GCR,Decoy,0,-12.5533,17.81,-0.94,1.8560220110711567
N#Cc1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)sc2c1CCCC2,C03668872_decoy,GCR,Decoy,0,-11.2785,-2.39,-3.96,-5.183726650223037
Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1,C09355427_decoy,GCR,Decoy,0,-9.92992,-3.07,-3.3,-4.119828145544158
O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccc(Br)s2)nc2ccccc12,C09598045_decoy,GCR,Decoy,0,-10.8441,-4.65,-3.46,-4.896606184478437
O=C(COc1c(Cl)cc(Cl)cc1Br)Nc1cc(Cl)c(Cl)cc1Cl,C09779144_decoy,GCR,Decoy,0,-12.2314,-6.5,-2.27,-9.201806346028578
C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12,C09805614_decoy,GCR,Decoy,0,-10.0998,-3.08,-3.3,-4.030811601824076
C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12,C09805615_decoy,GCR,Decoy,0,-10.0649,-3.73,-3.47,-4.155015852636705
Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4cccc5ccccc45)cc3)sc2c1,C12482121_decoy,GCR,Decoy,0,-11.3356,-3.41,-4.7,-4.618731999783441
Cc1cc(SCC(=O)NN=C2c3ccccc3-c3ccccc32)c(C)cc1Br,C03235823_decoy,GCR,Decoy,0,-8.45205,-6.14,-4.68,-5.346205333007918
O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2nc3ccccc3s2)cc1,C12604653_decoy,GCR,Decoy,0,-11.1837,-6.62,-2.89,-5.493948261488777
O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C03336429_decoy,GCR,Decoy,0,-9.43922,-3.78,-4.6,-4.552585822137725
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C13642140_decoy,GCR,Decoy,0,-11.6315,-3.93,-3.55,-4.615050032373012
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C13642146_decoy,GCR,Decoy,0,-12.2729,-2.9,-2.44,-3.2104517605713325
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C13642149_decoy,GCR,Decoy,0,-11.0979,-2.9,-2.53,-4.223775201744708
C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C13642871_decoy,GCR,Decoy,0,-11.9955,-4.78,-0.74,-5.56559783329098
Ic1cccc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)c1,C13801132_decoy,GCR,Decoy,0,-8.23676,-3.49,-1.66,-3.4393558310442685
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Br)cc1F,C14272898_decoy,GCR,Decoy,0,-9.9534,-3.24,-2.2,-4.462726599847635
O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Br)c1,C14277572_decoy,GCR,Decoy,0,-11.1832,-3.01,-4.06,-4.394478051357113
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21)c1ccccc1,C14463416_decoy,GCR,Decoy,0,-5.91402,-3.43,-3.74,-3.051305989725439
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2)c1ccccc1,C14463546_decoy,GCR,Decoy,0,-11.2201,8.34,-1.65,-1.0527073013065251
CCN(C(=O)c1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21)c1ccccc1,C14475536_decoy,GCR,Decoy,0,-10.6075,-5.25,-2.63,-5.358592696999054
CCN(C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2)c1ccccc1,C14552317_decoy,GCR,Decoy,0,-6.75636,-3.07,-3.99,-3.246376093672906
Clc1ccc(/C=N/Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(Cl)c1,C14922518_decoy,GCR,Decoy,0,-11.5548,-8.26,-1.64,-9.048161670577109
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccc3ncccc3c12,C15304942_decoy,GCR,Decoy,0,-5.30722,-4.28,-3.21,-2.8149376609182752
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccc3ncccc3c12,C15304947_decoy,GCR,Decoy,0,-10.2133,-4.0,-3.87,-4.240141392597203
O=C(/C=C/c1ccc(Br)cc1)c1cccc(/N=C/c2cc(Cl)ccc2O)c1,C15773834_decoy,GCR,Decoy,0,-11.3808,-9.63,-3.61,-8.941389910470834
O=C(N/N=C/[C@@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2[C@@H]2C[C@H]1[C@]1(F)C(F)(F)C(F)(F)[C@]21F)c1ccc(Cl)cc1,C16400772_decoy,GCR,Decoy,0,-9.38533,-6.58,-0.61,-2.227182200123844
CCOc1ccc(NC(=O)C2(c3ccc(I)cc3)CCCC2)cc1,C16691733_decoy,GCR,Decoy,0,-9.98823,-8.42,-1.32,-15.404254525431371
Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2,C17093420_decoy,GCR,Decoy,0,-10.6543,-3.74,-3.43,-4.683359179705252
O=C(NCCC1=CCCCC1)c1cc(-c2ccccc2)nc2ccc(Br)cc12,C00651867_decoy,GCR,Decoy,0,-10.7178,-3.98,-3.82,-5.097515171748693
CCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1,C20132844_decoy,GCR,Decoy,0,-11.0047,-7.23,-2.14,-9.013976919613423
CCCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1,C20132929_decoy,GCR,Decoy,0,-11.7506,-2.87,-1.41,-4.826663184537369
CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1,C20132933_decoy,GCR,Decoy,0,-10.9857,-5.86,-4.36,-7.4765550651980925
O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc2c(s1)-c1ccccc1SC2,C20414579_decoy,GCR,Decoy,0,-10.9503,-4.79,-3.84,-4.981337931384692
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(SC)cc1)N2)c1ccccc1,C20759678_decoy,GCR,Decoy,0,-10.4647,32.27,-4.77,9.524039004914366
CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc(C(C)(C)C)c1O,C21486913_decoy,GCR,Decoy,0,-9.95111,-3.38,-4.33,-4.509685293922939
CCCCc1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1,C32118812_decoy,GCR,Decoy,0,-10.4732,-1.88,,99.0
Fc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1ccccc1-c1ccccc1,C39228804_decoy,GCR,Decoy,0,-9.30037,-3.78,-4.64,-4.118033846986551
CC(C)c1cc(Br)ccc1NC(=O)CSc1nc2ccccc2s1,C39758976_decoy,GCR,Decoy,0,-10.1993,-7.72,-1.18,-9.171589787223118
O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1ccc(Cl)cc1Cl,C02187717_decoy,GCR,Decoy,0,-10.515,-1.24,-0.89,-3.205828211042088
O=C(/C=C/c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,C13590787_decoy,GCR,Decoy,0,-6.23903,26.17,-2.39,6.144244982877856
Oc1cc(/N=C/C=C/c2ccc(Br)cc2)ccc1-c1nc2ccccc2s1,C02942229_decoy,GCR,Decoy,0,-10.4178,-4.36,-4.57,-4.1686915058882565
CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1Cl,C57313996_decoy,GCR,Decoy,0,-10.1104,-8.84,-2.1,-10.08365647481044
O=C(Nc1ccccc1Sc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12,C59241509_decoy,GCR,Decoy,0,-10.1969,-4.28,-3.8,-4.824291700452903
Brc1cccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1,C59475119_decoy,GCR,Decoy,0,-9.05795,-4.86,-3.2,-4.895837712733785
C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C59960947_decoy,GCR,Decoy,0,-12.3838,-3.99,,99.0
Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2Br)cc(C)c1Cl,C65001685_decoy,GCR,Decoy,0,-10.3813,-2.93,-2.94,-5.338610790836953
Cc1ccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c(Br)c1,C66201902_decoy,GCR,Decoy,0,-10.1261,-8.73,-4.62,-9.13689174679933
CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3)CC2=O)cc1,C00631858_decoy,GCR,Decoy,0,-9.38536,-3.78,-0.8,-4.124027433351015
Cc1ccc(C(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1,C01359405_decoy,GCR,Decoy,0,-9.41123,-3.55,-2.42,-4.487287303373045
S=C(Nc1ccccc1)N1CCCN(c2nc3ccc(Cl)cc3s2)CC1,C01023654_decoy,GCR,Decoy,0,-11.0501,-6.77,-0.75,-7.440312757472523
O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cc(Cl)c(Cl)cc1Cl,C04548819_decoy,GCR,Decoy,0,-9.22408,-3.63,-1.86,-4.155301786873393
Cc1ccc(C(=O)N2[C@@H](C(=O)NC(C)(C)C)CS[C@@H]2C2CCCCC2)cc1,C00964248_decoy,GCR,Decoy,0,-9.97813,-2.28,-1.56,-3.898855079018975
S=c1oc(-c2ccccc2Cl)nn1CNc1ccccc1Br,C00829423_decoy,GCR,Decoy,0,-10.6714,-7.39,-1.38,-7.080726070527564
O=[N+]([O-])c1ccc([C@H]2Nc3c(cc(Cl)cc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1,C04819191_decoy,GCR,Decoy,0,-9.01476,-9.0,-1.05,-8.299559606327241
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12,C05008427_decoy,GCR,Decoy,0,-10.7862,-8.78,-3.44,-11.027967777222928
O=C(N[C@@H](C(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1,C05043468_decoy,GCR,Decoy,0,-9.68527,-5.75,-3.03,-5.58198280534236
CC(C)C(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc2n1C,C05347933_decoy,GCR,Decoy,0,-10.1522,-4.11,-3.42,-4.723406258478511
Cc1ccc(S(=O)(=O)N/N=C2\CC[C@H](C(C)(C)C)C[C@@H]2Br)cc1,C06005849_decoy,GCR,Decoy,0,-9.69471,-5.32,-1.29,-5.894372595341093
Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c12)CCC3,C06112809_decoy,GCR,Decoy,0,-9.83713,-8.51,-4.89,-8.37498043023975
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(F)cc2s1,C06880030_decoy,GCR,Decoy,0,-10.9272,-5.35,-1.73,-6.1803438650262645
CSc1cccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1,C12854814_decoy,GCR,Decoy,0,-9.6209,-5.3,-1.96,-5.176080390489324
O=C(NC1CCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2,C06402688_decoy,GCR,Decoy,0,-10.4426,-3.67,-3.5,-4.721551671675679
Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)ccc1I,C06960203_decoy,GCR,Decoy,0,-9.31158,-8.26,-0.69,-8.927378928828185
O=C(CSc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1,C12449028_decoy,GCR,Decoy,0,-7.53807,-4.64,-3.27,-4.0482452015828505
CN(C)c1ccc(C=NNC(=O)c2ccccc2I)cc1,C13424669_decoy,GCR,Decoy,0,-8.76807,-7.2,-5.21,-8.375219628552147
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCC3)cc2[C@H]2C=CC[C@@H]21,C14455816_decoy,GCR,Decoy,0,-11.3965,-3.65,-5.73,-4.538318065278467
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NC1CCCCC1,C15227468_decoy,GCR,Decoy,0,-9.9877,-5.54,-3.05,-7.748110511436659
O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2cccs2)CC1,C13320505_decoy,GCR,Decoy,0,-9.28459,17.54,-2.72,3.7649872586880817
CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)s3)nc21,C20604033_decoy,GCR,Decoy,0,-8.56409,-2.12,-6.09,-5.544067605490532
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H]2C=CC[C@H]21,C20687815_decoy,GCR,Decoy,0,-11.0786,-4.74,-4.5,-4.766880702809759
CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCC2,C21595466_decoy,GCR,Decoy,0,-9.10665,-6.63,-3.59,-9.234073847532068
C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2c(O)ccc3ccccc23)CC1,C23849093_decoy,GCR,Decoy,0,-11.0993,-3.95,-3.05,-4.398528364043721
Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C)c2c3c(sc2n1)CCC3,C28165283_decoy,GCR,Decoy,0,-11.2913,-4.11,-1.46,-5.4662474952045566
C[C@H]1CCc2c(sc3nc([C@@H](C)Sc4ncccc4Cl)[nH]c(=O)c23)C1,C25714757_decoy,GCR,Decoy,0,-11.482,-1.65,-2.72,-3.7871809217184143
Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)C2CCCC2)c1,C06740560_decoy,GCR,Decoy,0,-9.7025,-4.23,-4.46,-4.290817700287868
O=C1COc2cc(C(=O)c3ccc(I)cc3)c(Cl)cc2N1,C37364857_decoy,GCR,Decoy,0,-9.27623,-8.07,-0.63,-6.849541092250246
Brc1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)s1,C21262047_decoy,GCR,Decoy,0,-10.9649,-4.01,-2.15,-4.606458469425953
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)cc(Cl)c1,C38735262_decoy,GCR,Decoy,0,-10.4518,-4.18,-0.7,-4.185723080751667
CS[C@H]1CCC[C@@]2(CCC[C@@H](S(=O)(=O)C(C)C)C2)N1c1ccccc1O,C39521328_decoy,GCR,Decoy,0,-10.9235,-2.74,-2.92,-4.2703693796423545
Cc1ccnc(/N=C2/NC(=O)[C@@H](Cc3cc(C(F)(F)F)ccc3Cl)S2)c1,C39847118_decoy,GCR,Decoy,0,-9.54167,-3.51,-1.33,-4.2507451799138
CCOc1ccc(NC(=O)c2oc3c(c2C)C2(CCC3)SCCS2)cc1,C39851978_decoy,GCR,Decoy,0,-10.8773,-6.18,-0.75,-9.527742694305411
O=C(Nc1ccccc1C(F)(F)F)c1cccnc1-c1nc2ccccc2s1,C39881333_decoy,GCR,Decoy,0,-9.51533,-4.97,-1.64,-5.23077480735695
Cc1c(-c2ccccc2)sc2ncn(C[C@H](O)c3ccc(F)c(F)c3)c(=O)c12,C42657463_decoy,GCR,Decoy,0,-10.6242,-5.24,-2.97,-5.175978728308002
O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F,C46079069_decoy,GCR,Decoy,0,-8.99417,-10.63,-2.13,-14.952642837978235
Cn1c(C(=O)Nc2ccccc2N2CCCC2)c(Br)c2ccccc21,C46691149_decoy,GCR,Decoy,0,-9.31906,-3.52,-0.93,-4.181256921000948
Cc1ccsc1CN(C)C(=O)Nc1ccccc1N1CCc2sccc2C1,C47565222_decoy,GCR,Decoy,0,-8.8926,-6.28,-1.47,-3.7084882939039314
COCc1c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)sc2cccc(F)c12,C23042047_decoy,GCR,Decoy,0,-10.5258,-5.29,-1.98,-4.909746440395234
Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2=O)c1,C11354983_decoy,GCR,Decoy,0,-9.58699,22.77,-1.27,5.687813497050968
O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1ccc(Cl)c(Cl)c1,C59462533_decoy,GCR,Decoy,0,-10.0774,-5.86,-1.26,-5.2546680764551335
Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc(F)c(Cl)c1,C50534855_decoy,GCR,Decoy,0,-11.2393,-8.55,-2.02,-8.277366602030344
O=C(Oc1ccc(I)cc1)c1cc2ccccc2c(=O)[nH]1,C47744739_decoy,GCR,Decoy,0,-9.12302,-8.0,-0.85,-7.578583936315024
O=c1[nH]c(CSc2ccc(C(F)(F)F)cn2)nc2sc3c(c12)CCCC3,C60767265_decoy,GCR,Decoy,0,-9.74683,-7.78,-1.66,-8.42593722512906
O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CC(=O)N(C2CCCCC2)C1,C62157711_decoy,GCR,Decoy,0,-9.02197,-8.67,-2.39,-8.075183928861644
Cc1ccc(S(=O)(=O)N[C@@H]2COc3ccc(Br)cc3C2)cc1C,C65330388_decoy,GCR,Decoy,0,-9.89901,-4.75,-1.77,-4.187024437813389
O=C(NC1CCCCC1)C1CCN(C(=O)/C=C/c2cccc3ccccc23)CC1,C65800841_decoy,GCR,Decoy,0,-10.1348,-4.1,-3.09,-4.5110172427969575
O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)N1CCC[C@H]1c1ccccn1,C66349083_decoy,GCR,Decoy,0,-9.88522,-7.05,-0.63,-11.04667760141168
Cc1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1,C67252054_decoy,GCR,Decoy,0,-9.38648,-4.26,-3.91,-4.539959455954355
Cc1c(Cl)cccc1NC(=S)N1CCn2cccc2[C@H]1c1cccs1,C04223865_decoy,GCR,Decoy,0,-10.1438,-7.91,-3.71,-12.42026278518122
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C#N)C1,C02734407_decoy,GCR,Decoy,0,-10.2331,-2.63,-1.04,-3.780934647607112
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C#N)C1,C01055859_decoy,GCR,Decoy,0,-10.5664,1.16,-1.19,-3.063378709735555
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F,C00867536_decoy,GCR,Decoy,0,-9.14092,-4.06,-1.41,-4.646217784960994
O=C(Nc1cccc2ncccc12)c1cccc2c(Br)cccc12,C01065236_decoy,GCR,Decoy,0,-9.85468,-4.48,-2.37,-4.202629854275153
Ic1ccccc1C=NNc1nc2ccccc2s1,C05514622_decoy,GCR,Decoy,0,-9.09032,-7.37,-0.92,-5.780244126365059
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1O,C01114370_decoy,GCR,Decoy,0,-8.98796,-8.11,-2.24,-7.911328536056661
CC(C)(C)C1=C(Br)[C@@](O)(C(C)(C)C)O[P@@]1(=O)c1ccccc1,C01642396_decoy,GCR,Decoy,0,-7.59234,-2.56,-0.5,-3.264077977578832
C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)C12CC3CC(CC(C3)C1)C2,C05937404_decoy,GCR,Decoy,0,-9.9418,-8.91,-5.62,-9.513861580928012
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)cc1C,C06215179_decoy,GCR,Decoy,0,-9.65187,-1.62,-3.8,-5.012244909660492
Cc1ccc(C)c(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2F)c1,C07345535_decoy,GCR,Decoy,0,-9.30474,-4.16,-2.82,-4.286382614303384
Cc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cc(C)ccc2C)cc1,C07345578_decoy,GCR,Decoy,0,-8.729,-6.05,-1.0,-7.778384251778023
O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F,C12091083_decoy,GCR,Decoy,0,-7.67466,-3.85,-2.42,-3.5281667521496187
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1O,C12363001_decoy,GCR,Decoy,0,-9.99452,-8.06,-0.65,-11.59902335383616
Cc1ccc(Cl)cc1NC(=O)Cn1ccc2cc(Br)ccc21,C06966864_decoy,GCR,Decoy,0,-9.5447,-8.51,-1.03,-10.486690909652316
OCC/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1,C13162080_decoy,GCR,Decoy,0,-10.6273,-6.33,-1.58,-7.966709014503839
Brc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1,C04381249_decoy,GCR,Decoy,0,-8.93212,-7.66,-1.33,-8.228546539500565
COc1ccc(OC)c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21,C13638630_decoy,GCR,Decoy,0,-9.8962,-7.84,-3.51,-9.43432798135022
C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1cccc2ccccc12,C15374568_decoy,GCR,Decoy,0,-9.32734,-7.95,-1.3,-7.716194301177214
CC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1,C20132352_decoy,GCR,Decoy,0,-10.6683,-8.06,-4.03,-8.628959047853476
CCC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1,C20132572_decoy,GCR,Decoy,0,-11.1602,-3.16,-4.9,-4.64598843406612
ClC1(Cl)C[C@H]1CSc1nc(-c2ccccc2Br)n[nH]1,C21108325_decoy,GCR,Decoy,0,-10.7108,-1.99,-3.15,-3.6799363129010834
C[C@@H]1c2cccc(C(=O)NCCc3ccc(Br)s3)c2O[C@@H]1C,C25076313_decoy,GCR,Decoy,0,-9.65417,-7.88,-2.39,-8.532982058114502
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1I,C25577856_decoy,GCR,Decoy,0,-8.64648,-3.98,-1.61,-4.377529028416964
O=C(N[C@H](N1CCCC1)C(Cl)(Cl)Cl)C12CC3CC(CC(C3)C1)C2,C32620110_decoy,GCR,Decoy,0,-10.7297,-4.58,-1.7,-5.40699428371171
Clc1cc(Br)cc(Cl)c1NCc1cccc2c1OCO2,C36168331_decoy,GCR,Decoy,0,-9.33817,-7.77,-1.26,-7.050081289514351
O=C(Nc1ccc(Br)cc1F)N1CCC[C@H]1c1ccc(F)cc1,C36620916_decoy,GCR,Decoy,0,-8.34498,-2.3,-0.59,-3.276321313744547
O=C(Nc1ccc(Br)cc1F)N1CCC[C@@H]1c1ccc(F)cc1,C36620917_decoy,GCR,Decoy,0,-8.79285,-2.7,-0.86,-3.755855840257746
C[C@@H]1CCc2sc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cc2C1,C36759458_decoy,GCR,Decoy,0,-9.73411,14.12,-1.7,1.7966817111219295
Cc1nc2cc(N[C@@H](C)c3ccc(I)cc3)ccc2o1,C37232755_decoy,GCR,Decoy,0,-8.3571,-8.27,-0.42,-7.14875144434838
CC(C)c1nn(C)cc1CNc1c(Cl)cc(Br)cc1Cl,C37249213_decoy,GCR,Decoy,0,-9.65935,-7.28,-3.24,-7.755033698344458
O=C(Nc1c(Cl)ccc2scnc12)c1ccc(Br)cc1F,C37501884_decoy,GCR,Decoy,0,-9.93629,-8.95,-1.92,-8.695988050855982
Cc1cc2occ(CC(=O)Nc3ccc(Br)cc3)c2cc1Cl,C39892826_decoy,GCR,Decoy,0,-9.78302,-8.9,-1.39,-7.652217811672421
Fc1cccc(CSc2nc(-c3ccccc3Br)n[nH]2)c1F,C16655540_decoy,GCR,Decoy,0,-9.96037,-6.85,-0.82,-6.912753870092217
CN(Cc1ccc(Br)s1)C(=O)NCc1ccc(Cl)s1,C45543196_decoy,GCR,Decoy,0,-9.70132,-6.53,-1.15,-7.620429185376512
Cc1ccc2c(Nc3ccc(I)cc3)cc(C)nc2n1,C47162325_decoy,GCR,Decoy,0,-8.19146,-8.37,-0.65,-7.410141311943775
O=C(Nc1cccc(I)c1)N1CCC[C@H]1C1CCCC1,C48769892_decoy,GCR,Decoy,0,-8.45551,-8.54,-0.82,-9.419611272766009
CC(C)(C)c1n[nH]cc1/C=C\C(=O)c1ccc(I)cc1,C48985127_decoy,GCR,Decoy,0,-8.90334,-7.27,-3.62,-8.853455863621564
CCC[C@@H](C)N(C)C(=O)Nc1cc(Br)ccc1Br,C49262974_decoy,GCR,Decoy,0,-8.75416,-6.66,-2.26,-10.718733799953707
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)ccc3Cl)n2)cc1,C13773630_decoy,GCR,Decoy,0,-9.39856,-6.41,-1.55,-7.039410817026361
O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1,C05491180_decoy,GCR,Decoy,0,-10.0735,-7.81,-0.65,-8.234638063685306
O=C(Nc1cccc(C2SCCCS2)c1)N1CCC[C@@H]1C1CCCC1,C56573559_decoy,GCR,Decoy,0,-11.0196,-5.45,-3.16,-5.547790772115136
O=C(Nc1cccc(C2SCCCS2)c1)N1CCC[C@H]1C1CCCC1,C56573561_decoy,GCR,Decoy,0,-10.6755,-5.96,-1.08,-5.577286540241042
Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2s1,C15800116_decoy,GCR,Decoy,0,-9.72031,-7.57,-2.95,-9.04131207679772
Cc1cccc(N2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)c1C,C13830247_decoy,GCR,Decoy,0,-11.0568,-4.3,-4.1,-4.849883110762244
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Cl,C20203718_decoy,GCR,Decoy,0,-10.9384,-9.08,-2.65,-9.83654967397646
O=C(N/N=C/c1ccc(Br)s1)c1ccc(Br)cc1,C03152260_decoy,GCR,Decoy,0,-9.27689,-5.48,-0.91,-5.62141051988726
CC(C)n1cc(Cl)cc1C(=O)Nc1cc(Br)ccc1Cl,C61692969_decoy,GCR,Decoy,0,-9.52221,-7.58,-0.97,-8.022369495363707
N#C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl,C66392865_decoy,GCR,Decoy,0,-8.54725,-7.69,-1.62,-8.360679061703198
N#C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl,C66392869_decoy,GCR,Decoy,0,-8.99458,-5.76,-2.2,-5.473147727101858
Cc1cccc2nc(CSc3nc4ccccc4[nH]3)c(Br)n12,C01246503_decoy,GCR,Decoy,0,-10.108,-8.31,-1.65,-7.4397920225953245
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCOCC1,C04164022_decoy,GCR,Decoy,0,-10.8224,-1.72,-1.6,-3.676844870986931
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)N1CCOCC1,C04164023_decoy,GCR,Decoy,0,-10.9625,-3.53,-4.68,-4.340224055998048
N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(F)cc1,C01189220_decoy,GCR,Decoy,0,-8.15603,14.56,-4.79,2.290783565771422
O=C(Nc1cc2cc(Cl)ccc2oc1=O)c1ccc(Br)cc1,C01510859_decoy,GCR,Decoy,0,-9.26703,-3.34,-2.06,-4.818094878532518
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1Cc1ccco1,C04690276_decoy,GCR,Decoy,0,-11.179,-8.1,-1.59,-12.059875665795245
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Br)s1,C04805524_decoy,GCR,Decoy,0,-11.1577,-4.16,-0.33,-5.134844255528791
O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl,C03605573_decoy,GCR,Decoy,0,-9.61265,-8.36,-1.59,-8.419934213673766
CSc1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1,C05071154_decoy,GCR,Decoy,0,-11.3218,-2.07,-5.71,-3.826665338243741
Cc1ccccc1N1C(=O)S[C@@H](Nc2ccc(Br)cc2)C1=O,C05234221_decoy,GCR,Decoy,0,-8.26618,-8.82,-0.75,-7.898932733493654
Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCCC1=O,C05441779_decoy,GCR,Decoy,0,-9.16314,13.41,-3.22,2.056872134167305
Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c1C,C06654480_decoy,GCR,Decoy,0,-9.76044,-8.42,-2.44,-8.712514574949205
Cc1cccc(/C=N/n2c(-c3ccccc3Br)n[nH]c2=S)c1,C06815701_decoy,GCR,Decoy,0,-8.52642,-8.5,-0.92,-7.389168273787221
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1C,C08264762_decoy,GCR,Decoy,0,-9.87316,-3.65,-1.59,-5.978214055183665
Cc1ccc([C@@]2(C)NC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)cc1,C08644082_decoy,GCR,Decoy,0,-8.73968,-4.51,-0.87,-3.998048717292422
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N(C)C)cc2[C@H]2C=CC[C@H]21,C14455854_decoy,GCR,Decoy,0,-9.99448,-1.8,-3.34,-3.477620045861585
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@@H]32)s1,C14456513_decoy,GCR,Decoy,0,-10.4139,-1.74,-5.45,-3.4128693900747864
O=C1/C(=C/c2cccs2)SC(=S)N1Nc1nc2ccccc2s1,C14904668_decoy,GCR,Decoy,0,-10.4229,-2.72,-64.33,-4.94144096819388
O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1c(Cl)cccc1Cl,C15008540_decoy,GCR,Decoy,0,-10.6377,-9.44,-0.59,-9.378877157052887
O=c1cc(CNc2ccc(I)cc2)nc2ccccn12,C15377715_decoy,GCR,Decoy,0,-8.3716,-7.28,-0.93,-9.854105596300704
Cc1c(Br)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nn1C,C17077685_decoy,GCR,Decoy,0,-9.64734,-5.46,-2.9,-7.473575655595719
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccco1,C20074995_decoy,GCR,Decoy,0,-9.61638,-8.52,-3.99,-7.832092989405007
O=C(Nc1ccccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1,C13324899_decoy,GCR,Decoy,0,-10.3528,-2.63,-0.85,-4.015945791610565
O=C1C[C@H](C(=O)Oc2ccc(Cl)cc2Br)c2ccccc2N1,C25001418_decoy,GCR,Decoy,0,-8.59394,-8.6,-1.81,-8.089853511317296
C[C@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1Br,C32932181_decoy,GCR,Decoy,0,-8.54989,-8.0,-2.94,-8.434764770050819
O=C(NC1CC1)[C@@H]1Cc2ccccc2N2CCN(c3ccccc3Cl)C[C@H]12,C35543327_decoy,GCR,Decoy,0,-10.0186,-1.59,-3.38,-3.631339448230365
Cc1ccc(NC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c(C)c1,C35655866_decoy,GCR,Decoy,0,-10.4101,-6.47,-1.0,-5.995351465501889
O=C([O-])[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)C[C@@H]12,C35871125_decoy,GCR,Decoy,0,-9.1139,-4.78,-0.35,-4.41003985198529
Cc1sc2nc(-c3ccc(N(C)C)c(Br)c3)[nH]c(=O)c2c1C,C16265899_decoy,GCR,Decoy,0,-10.472,-3.52,-5.29,-4.025628363440707
COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccn2)cc1Br,C37977924_decoy,GCR,Decoy,0,-8.56252,-7.91,-0.59,-8.071786914656657
CC1=C2[C@H](c3sccc3C)C3=C(C[C@@H](c4cccs4)CC3=O)N[C@H]2N=N1,C39359445_decoy,GCR,Decoy,0,-10.5303,-2.69,-1.61,-3.590025196442008
O=C1CCCN1[C@H]1C[C@H](c2cc3ccccc3nc2Cl)Nc2ccccc21,C44138002_decoy,GCR,Decoy,0,-9.34074,-4.39,-0.72,-3.846915965944382
[H]/N=C1\S[C@@H](C)C(=O)N1c1ncc(Cc2ccc(Cl)c(Cl)c2)s1,C11689757_decoy,GCR,Decoy,0,-10.2003,-3.73,-2.21,-4.101115674874276
Cc1cccc(C(C)C)c1NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1,C56543151_decoy,GCR,Decoy,0,-8.72648,-4.16,-2.94,-3.880656315436482
Cc1ccccc1-c1n[nH]c(=S)n1/N=C/c1c(F)c(F)c(F)c(F)c1F,C05295138_decoy,GCR,Decoy,0,-8.63444,-8.68,-1.36,-8.52852936846863
C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl,C58735340_decoy,GCR,Decoy,0,-10.7115,-7.0,-2.44,-5.542211442809546
Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1C,C59302042_decoy,GCR,Decoy,0,-9.12918,-9.43,-0.87,-8.442740672269606
CC[C@@H](C)N1C(=O)C[C@@H](Nc2ccc(I)cc2)C1=O,C36854206_decoy,GCR,Decoy,0,-8.33065,-6.57,-1.81,-7.527761833182859
O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1Br,C36635825_decoy,GCR,Decoy,0,-8.5517,-9.21,-0.31,-9.535817841723864
O=C(NO[C@@H]1CCCCO1)c1ccc(Cl)c(I)c1,C60333019_decoy,GCR,Decoy,0,-8.48823,-7.08,-0.7,-6.83248618319994
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccsc3)c2)C1,C60367553_decoy,GCR,Decoy,0,-9.37195,-9.82,-5.07,-9.86161693483438
Cc1csc(S[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n1,C06465633_decoy,GCR,Decoy,0,-11.6394,-4.17,-3.2,-4.603810155517768
O=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1c1ccccc1Br,C33039536_decoy,GCR,Decoy,0,-9.20412,-8.91,-2.18,-8.185490269341452
O=C1C[C@H](c2cc(F)ccc2F)c2scc(S(=O)(=O)c3ccccc3)c2N1,C64656588_decoy,GCR,Decoy,0,-9.14808,-4.42,-2.59,-4.355416486991832
O=C(Nc1ccc(F)cc1)[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1,C65272891_decoy,GCR,Decoy,0,-10.4338,-2.75,-1.61,-4.02957751533499
CC(=O)Nc1cccc2c1CCN(C(=O)c1sccc1-c1ccc(F)cc1)C2,C65875010_decoy,GCR,Decoy,0,-9.77307,-3.89,-1.12,-4.29113099780588
O=C(NC1CCSCC1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1,C66359051_decoy,GCR,Decoy,0,-8.82737,-2.4,-3.73,-3.647608726633024
C[C@H](NC(=O)N1CCc2cc(Br)ccc21)c1ccc(C#N)cc1,C66985577_decoy,GCR,Decoy,0,-9.47732,-4.31,-2.39,-4.7088962075978085
C[C@@H](NC(=O)N1CCc2cc(Br)ccc21)c1ccc(C#N)cc1,C66985578_decoy,GCR,Decoy,0,-10.1616,-4.59,0.03,-4.393592952730095
C=C(Br)CNC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1,C67066060_decoy,GCR,Decoy,0,-8.66086,-7.81,-3.88,-8.856320971548692
O=C1c2ccc(Br)cc2C(=O)N1CNc1ccc(Cl)cc1,C00629821_decoy,GCR,Decoy,0,-9.18933,-5.74,-0.88,-4.63505004939362
O=C1Nc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1,C03182704_decoy,GCR,Decoy,0,-9.04865,-3.11,-4.41,-3.4315858664456065
CC1=NN([C@@H](C#N)c2cc(Br)ccc2O)[C@@H](c2ccccc2)C1,C04770515_decoy,GCR,Decoy,0,-9.39733,-7.0,-0.92,-7.813691120138888
C[C@@H]1CCN(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc2S1,C05628265_decoy,GCR,Decoy,0,-8.61434,-3.8,-2.42,-3.9926809055151007
Cc1ccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)cc1,C01116852_decoy,GCR,Decoy,0,-9.7448,-5.37,-2.87,-5.0508884138606085
Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(C)cccc2C)cc1,C06503585_decoy,GCR,Decoy,0,-7.92692,-3.24,-3.57,-3.573714441313082
Cc1cc(C(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)c2ccccc2n1,C03356634_decoy,GCR,Decoy,0,-7.64904,-6.17,-1.91,-4.233647978876328
O=S(=O)(Nc1nc2c(Cl)ccc(Cl)c2s1)c1cccs1,C08864739_decoy,GCR,Decoy,0,-10.6171,-8.13,-1.77,-8.858190924086825
Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CC(C)(C)C)n1,C11665416_decoy,GCR,Decoy,0,-5.33302,-3.72,-2.73,-2.8250064637381502
CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1,C12314523_decoy,GCR,Decoy,0,-9.92132,9.65,-2.7,-0.0971170274703101
COc1ccc(/C(C#N)=C2\C=C(Br)/C(=N\O)C=C2Cl)cc1,C12366714_decoy,GCR,Decoy,0,-8.87421,-3.51,-0.81,-3.0990034406987834
Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(Br)o3)c2c1,C12421879_decoy,GCR,Decoy,0,-9.46222,-4.25,-3.07,-4.215411792166332
O=C(Nc1nc2c(F)cc(F)cc2s1)[C@@H]1Cc2cc(Cl)ccc2O1,C12899089_decoy,GCR,Decoy,0,-9.05632,-2.27,-5.7,-3.160500810908505
O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12,C12602819_decoy,GCR,Decoy,0,-9.98083,-3.49,-1.69,-4.484184248254235
Oc1ccc(Br)cc1/C=N/c1ccccc1N1CCOCC1,C03241335_decoy,GCR,Decoy,0,-9.06578,-7.25,-2.49,-7.764142516626116
O=C1c2ccccc2[C@H](Nc2cccc(Cl)c2Cl)N1c1cccnc1,C04917789_decoy,GCR,Decoy,0,-9.16555,-7.46,-3.74,-9.020982474784946
Cc1cc(C)cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccn2)c1,C12448166_decoy,GCR,Decoy,0,-9.20212,-2.92,-3.21,-3.635784219274928
O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccco2)nc2ccccc12,C15002989_decoy,GCR,Decoy,0,-8.04107,-6.17,-3.33,-5.7214513285521695
O=C1/C(=C\c2ccc(-c3ccccc3F)o2)NC(=S)N1c1ccccc1F,C15257092_decoy,GCR,Decoy,0,-9.6242,-4.76,-0.97,-4.322422193277523
CC1(C)CCC/C(=C\c2ccc(Br)cc2)[C@]1(O)Cn1cncn1,C20568395_decoy,GCR,Decoy,0,-9.48034,-9.08,-1.11,-9.85599891681909
O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Cl)cn1,C20735464_decoy,GCR,Decoy,0,-9.22365,-7.57,-1.53,-7.25256823659883
O=C(Nc1ccccc1Cl)c1cc(=O)c2ccc(Br)cc2o1,C27793912_decoy,GCR,Decoy,0,-9.7459,-5.19,-4.28,-4.262020915721916
O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc2c(F)cccc2s1,C32582307_decoy,GCR,Decoy,0,-9.61212,-4.32,-0.79,-4.142933072271789
N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2,C35419403_decoy,GCR,Decoy,0,-10.5865,-4.88,-1.69,-4.886735468713547
COc1ccc(-c2nc3cc(C)c(Br)cn3c2CO)cc1C,C36323220_decoy,GCR,Decoy,0,-8.92393,-2.72,-2.2,-3.4062854953593966
[H]/N=C1\[C@H](C#N)C2=CCSC[C@@H]2[C@H](c2ccc(C(C)C)cc2)C1(C#N)C#N,C03899526_decoy,GCR,Decoy,0,-9.45407,-3.01,-0.85,-3.250897535857538
O=[N+]([O-])c1ccc(N[C@H]2CSCc3ccccc32)c(Br)c1,C37316678_decoy,GCR,Decoy,0,-10.0247,-8.21,-0.82,-8.755818479410209
Cn1c(CSc2nc3cc(Br)ccc3[nH]2)nc2ccccc21,C06530786_decoy,GCR,Decoy,0,-10.3721,-4.6,-1.13,-4.610797004999844
N#C[C@H](Nc1ccccc1Br)c1cc(Cl)c2c(c1)OCO2,C37938566_decoy,GCR,Decoy,0,-9.58422,-8.28,-0.24,-10.514254398451175
O=C(Nc1cccc2ccccc12)[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC1,C38711807_decoy,GCR,Decoy,0,-9.02975,-4.78,-4.14,-4.655985052036545
O=C(Nc1cccc2ccccc12)[C@H]1CC=CC[C@H]1C(=O)N1CCCCC1,C38711810_decoy,GCR,Decoy,0,-9.73003,-4.03,-1.53,-4.832806503044468
Cc1[nH]/c(=N\S(=O)(=O)c2ccc(Br)cc2Cl)sc1C,C40419588_decoy,GCR,Decoy,0,-9.47168,-2.82,-2.16,-3.61368726670016
O=S(=O)(/N=c1\[nH]c2c(s1)CCC2)c1ccccc1Br,C42306074_decoy,GCR,Decoy,0,-8.2209,-5.23,-3.98,-4.360155314298777
O=C(Nc1ccc(Cl)c(F)c1)C1=CCN(c2ncccc2Cl)CC1,C45496522_decoy,GCR,Decoy,0,-9.35188,-2.26,-0.36,-3.827881453714771
C[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(F)c(N2CCCC2)c(F)c1,C47861322_decoy,GCR,Decoy,0,-10.9143,-2.38,-2.32,-4.003793262771386
O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[C@@H]1c1cccs1,C48138305_decoy,GCR,Decoy,0,-10.0414,-2.34,-1.7,-4.029568733397835
Cc1ccc(NC(=O)/C=C/c2c(Br)ccc3c2OCO3)cc1,C48545684_decoy,GCR,Decoy,0,-9.41819,-6.69,-2.09,-5.50186855071906
O=S(=O)(/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1,C00949462_decoy,GCR,Decoy,0,-8.47009,-8.43,-1.09,-6.732706465586967
Cc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1,C02499973_decoy,GCR,Decoy,0,-9.1373,-3.9,-1.19,-3.695520863871556
O=C1C[C@H](c2cccs2)C2=C(c3ccccc3)NN(c3ccccc3)C2=N1,C13518352_decoy,GCR,Decoy,0,-9.07083,0.6,-3.91,-2.9669678396203016
Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c1C,C36635422_decoy,GCR,Decoy,0,-8.24036,-8.32,-1.95,-6.937573073228722
Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccc(Br)cc3)C2=O)c1,C36635490_decoy,GCR,Decoy,0,-9.19832,-9.03,-2.21,-8.240607946000573
Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)c1,C46045557_decoy,GCR,Decoy,0,-9.49707,-3.68,-3.38,-4.141177847179835
O=C(NC1CCCC1)[C@H]1CCc2sc(C(=O)N3CCCCCC3)cc2C1,C65273144_decoy,GCR,Decoy,0,-9.90208,-4.17,-1.82,-4.421823093513368
Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cccc(C)c1C,C66035976_decoy,GCR,Decoy,0,-9.81322,-4.38,-3.0,-4.44027375066772
Cc1[nH]/c(=N\S(=O)(=O)/C=C/c2ccc(Br)cc2)sc1C,C66249393_decoy,GCR,Decoy,0,-11.1964,-8.35,-1.72,-7.185232367092431
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCc2sccc2C1,C66344521_decoy,GCR,Decoy,0,-9.27869,14.64,-1.85,1.8190351584975144
[O-]c1nc(C[NH+]2CCC[C@@H]2c2cccc3ccccc23)nc2ccsc12,C66468846_decoy,GCR,Decoy,0,-9.70856,-8.8,-4.59,-9.059718587580727
Cc1ccc(F)c2c1N(C(=O)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)CCC2,C66983550_decoy,GCR,Decoy,0,-8.20707,-4.05,-4.31,-3.972345170595971
N#C/C(=C/c1ccc(O)c(Cl)c1)c1nc(-c2ccc(C#N)cc2)cs1,C67006426_decoy,GCR,Decoy,0,-9.4597,-9.1,-0.78,-7.6108540957789135
CC(C)c1ccc(O[P@](C)(=O)Nc2ccc(I)cc2F)cc1,C01311871_decoy,GCR,Decoy,0,-8.4603,-8.0,-1.88,-7.754631540779749
O=C(Nc1ccc(/C=C/C(=O)c2cccs2)cc1)c1ccc(Br)cc1,C04695697_decoy,GCR,Decoy,0,-10.9835,-3.19,-23.25,-4.532783523693164
Cc1cc(OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(C(C)C)cc1Cl,C03217907_decoy,GCR,Decoy,0,-11.5027,-8.38,-1.13,-12.199978049267822
Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1Cl,C02909056_decoy,GCR,Decoy,0,-10.6589,-7.85,-1.87,-6.695661103069099
CC(C)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3Cl)C2=O)cc1,C05413344_decoy,GCR,Decoy,0,-9.61394,-4.65,-1.47,-4.865147874524794
CSc1ccc(/C=N/Nc2csc(-c3ccc(Br)cc3)n2)cc1,C05671343_decoy,GCR,Decoy,0,-11.5565,-6.38,-2.33,-5.871589240018935
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,C02850556_decoy,GCR,Decoy,0,-8.39773,-8.65,-2.93,-9.313524549827884
Cc1cc(OCC(=O)Nc2ccc(I)cc2F)cc(C)c1Cl,C02890413_decoy,GCR,Decoy,0,-9.48019,-7.35,-1.39,-8.798104872478847
O=C(Nc1ccc(F)c(F)c1F)c1oc2ccccc2c1CSC1CCCCC1,C03297638_decoy,GCR,Decoy,0,-9.7823,13.29,-4.69,1.3075068741297549
C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccc1,C02105176_decoy,GCR,Decoy,0,-10.3492,-6.03,-1.96,-5.993402544873465
O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1ccccc1F,C09296341_decoy,GCR,Decoy,0,-9.80754,-6.37,-2.8,-8.34924290422468
O=C(CCSc1ccc(Cl)cc1)Nc1nc2ccc(Br)cc2s1,C09630227_decoy,GCR,Decoy,0,-11.7058,-6.46,-2.16,-7.750232349422372
O=C(CSc1ccc(F)cc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1,C09630323_decoy,GCR,Decoy,0,-10.932,-7.87,-3.06,-8.46006197739049
O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1,C09630342_decoy,GCR,Decoy,0,-12.2403,-5.46,-0.85,-6.593338227747433
O=C1c2ccccc2[C@H](Nc2ccc(Br)cc2F)N1c1ccc(Cl)cc1,C09638829_decoy,GCR,Decoy,0,-9.91169,-3.75,-3.87,-4.346427879932736
CC(C)Sc1cccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)c1,C10695457_decoy,GCR,Decoy,0,-11.2119,-3.47,-3.57,-4.937216822659703
O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccccc1F,C12468879_decoy,GCR,Decoy,0,-9.95496,-5.2,-2.72,-5.0453898950521445
Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1,C03354113_decoy,GCR,Decoy,0,-8.38072,-3.63,-0.43,-4.270105294595657
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(C)=O)cc4[C@H]4C=CC[C@H]43)ccc21,C13642179_decoy,GCR,Decoy,0,-10.8609,-3.88,-1.59,-4.26784109443471
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1OC(F)F,C06828699_decoy,GCR,Decoy,0,-9.61698,-6.69,-1.89,-5.997843051359834
CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Br,C14769998_decoy,GCR,Decoy,0,-11.0333,-1.44,-2.66,-3.9690061244634425
CCc1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1,C15133526_decoy,GCR,Decoy,0,-11.2022,-3.14,-1.67,-4.224503745863664
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)cc1F,C15612160_decoy,GCR,Decoy,0,-10.0659,21.07,-3.66,3.753715893346549
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2,C16576088_decoy,GCR,Decoy,0,-11.2757,-4.44,-3.55,-5.20365134581744
CC(C)c1ccc(O[P@@](C)(=O)Nc2ccc(I)cc2F)cc1,C01311872_decoy,GCR,Decoy,0,-8.19466,-6.98,-4.46,-6.431743771853066
Cc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1Cl,C20352524_decoy,GCR,Decoy,0,-9.3181,-4.03,-1.99,-4.504839817752206
O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1,C03140460_decoy,GCR,Decoy,0,-9.84321,-8.41,-2.96,-7.903494710619458
O=C(N/N=C/c1ccc(Br)cc1)[C@H]1CC1(c1ccccc1)c1ccccc1,C03140462_decoy,GCR,Decoy,0,-9.9378,-6.15,-1.82,-7.068808502056678
O=C(N/N=C/c1cccc(Br)c1)[C@@H]1CC1(c1ccccc1)c1ccccc1,C03067777_decoy,GCR,Decoy,0,-8.56733,-8.59,-2.46,-7.452080182145679
O=C(N/N=C/c1cccc(Br)c1)[C@H]1CC1(c1ccccc1)c1ccccc1,C03067779_decoy,GCR,Decoy,0,-10.3493,-4.1,-2.93,-4.926836637458371
CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c(Br)c2)cc1,C21223151_decoy,GCR,Decoy,0,-10.2747,-2.65,-2.99,-3.7404268289680114
CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)c(Br)c2)cc1,C21223154_decoy,GCR,Decoy,0,-10.777,-2.43,-2.2,-3.751915142942909
CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)c(Br)c2)cc1,C21223156_decoy,GCR,Decoy,0,-10.7503,-4.65,-4.67,-4.721839446975348
O=C(CCN1CCc2sccc2[C@H]1c1cccs1)Nc1c(Cl)cccc1Cl,C22199904_decoy,GCR,Decoy,0,-12.5262,-8.94,-3.98,-13.515124649617569
Cc1ccc(OCCNC(=O)C23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c(C)c1,C24643603_decoy,GCR,Decoy,0,-10.37,-8.67,-1.95,-9.853660402763186
Cc1cc(OC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)cc1Cl,C02172517_decoy,GCR,Decoy,0,-10.7896,-8.92,-2.15,-9.351404732992457
c1ccc(CSC2=NC3=C([C@@H]([NH+]4CCCC4)[N-]2)C2(CCCC2)Cc2ccccc23)cc1,C26895773_decoy,GCR,Decoy,0,-9.31271,-2.81,-2.33,-5.710488117587153
C[C@@H]1C[C@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1,C27904504_decoy,GCR,Decoy,0,-8.59033,-3.69,-3.02,-3.7734194740523033
Oc1ccccc1-c1cc(Cc2ccccc2)cc2ncc(I)n12,C39459571_decoy,GCR,Decoy,0,-9.98404,-4.55,-3.86,-4.766477707857336
CCCCc1ccc(NC(=O)c2oc3c(c2C)C2(CCC3)SCCS2)cc1,C39851889_decoy,GCR,Decoy,0,-11.7402,-6.49,-0.94,-9.907551864385995
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2cccc3ccccc23)cs1,C02201815_decoy,GCR,Decoy,0,-11.3308,-8.55,-2.93,-9.572332453267896
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1,C09405005_decoy,GCR,Decoy,0,-12.5891,-6.2,-2.37,-6.1211261099493655
N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1,C58851389_decoy,GCR,Decoy,0,-12.1384,-3.98,-0.27,-4.626587339012617
O=C(CSc1nc(-c2ccc(Br)cc2)cs1)Nc1cccc(Cl)c1,C34869778_decoy,GCR,Decoy,0,-11.9345,-7.85,-0.79,-8.102878947215553
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)NC1CCCCC1,C06224518_decoy,GCR,Decoy,0,-10.7746,-7.84,-1.44,-7.646599921599877
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C#N)C1,C05901830_decoy,GCR,Decoy,0,-10.4865,-2.95,-4.17,-4.062162038737635
C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)C12CC3CC(CC(C3)C1)C2,C05780476_decoy,GCR,Decoy,0,-10.9647,-3.09,-1.75,-4.588128227065654
C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)C12CC3CC(CC(C3)C1)C2,C05780477_decoy,GCR,Decoy,0,-12.5718,-8.38,-1.27,-11.520812336180729
C/C(=N\NC(=O)c1ccccc1Br)C(c1ccccc1)c1ccccc1,C66202617_decoy,GCR,Decoy,0,-9.1091,-4.08,-5.48,-4.855468793925429
O=C(CCCl)Nc1nc(Br)sc1Cc1cc(Cl)ccc1Cl,C67320981_decoy,GCR,Decoy,0,-10.9933,-7.23,-1.29,-9.790602457643578
O=C(COc1ccc2ccccc2c1Br)NC1CCCCC1,C00671282_decoy,GCR,Decoy,0,-8.99295,-2.6,-0.99,-3.8246932917309504
CC(C)c1ccc(O[P@@](C)(=O)Nc2ccc(Br)cc2)cc1,C04066060_decoy,GCR,Decoy,0,-8.20346,-8.29,-1.89,-6.713626487241929
Cc1ccc2c(c1)[C@H](SCC(=O)NCc1cccs1)CC1(CCCC1)O2,C03061640_decoy,GCR,Decoy,0,-10.475,-5.71,-3.95,-7.053059409420771
COc1cc(SC)ccc1C(=O)N[C@H](C)c1ccc(Br)cc1,C01095619_decoy,GCR,Decoy,0,-10.0084,-7.8,-5.03,-7.147502472630749
CCc1cc2cccc(C)c2nc1SCC(=O)Nc1c(C)cccc1C,C04849276_decoy,GCR,Decoy,0,-10.0902,-7.54,-4.23,-12.17496273740696
O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc(OC2CSC2)cc1,C05007255_decoy,GCR,Decoy,0,-10.075,-4.16,-0.79,-5.014195383433458
O=C(N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl)Oc1ccccc1,C03013832_decoy,GCR,Decoy,0,-8.8622,-4.28,-2.4,-4.323361803826965
Cc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1,C05191204_decoy,GCR,Decoy,0,-11.5183,-8.42,-5.4,-8.27718762725003
COc1ccc(/C=N/c2ccc(Br)cc2[C@@H](O)c2ccccc2)cc1,C05513491_decoy,GCR,Decoy,0,-10.2726,-3.49,-1.8,-5.013046782367372
O=C(CSc1ccc2ccccc2n1)Nc1cc(Cl)ccc1Cl,C05627376_decoy,GCR,Decoy,0,-8.86218,-8.35,-1.11,-7.705312888906111
O=C(COc1ccccc1Cl)Nc1ccc(Br)cc1Cl,C06260163_decoy,GCR,Decoy,0,-8.62857,-7.79,-0.41,-7.611272501955567
O=C(/C=C/c1cc(Br)ccc1O)c1ccc(OC(F)F)cc1,C06321861_decoy,GCR,Decoy,0,-9.89909,-4.22,-2.83,-4.341844731979456
CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)cc(Br)c1O,C06613533_decoy,GCR,Decoy,0,-7.70505,-7.06,-1.06,-6.5243277288613735
CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(C)cc1,C07308869_decoy,GCR,Decoy,0,-8.99312,-6.85,-0.98,-7.5146216358779965
Cc1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1,C07517246_decoy,GCR,Decoy,0,-9.5239,-8.98,-1.95,-11.198797924826756
CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1c(C)cc(Br)cc1C,C08567185_decoy,GCR,Decoy,0,-9.58301,-9.32,-2.25,-10.101709357752656
CCc1cccc(C)c1NC(=O)[C@H](C)Oc1c(C)cc(Br)cc1C,C08567187_decoy,GCR,Decoy,0,-9.4994,-8.27,-2.76,-9.145478353881192
CCSc1ccc(CC(=O)Nc2nc3c(Cl)cccc3s2)cc1,C07597758_decoy,GCR,Decoy,0,-11.2242,-5.72,-1.81,-8.671016211435969
CCSc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1,C09565500_decoy,GCR,Decoy,0,-10.4674,-2.83,-0.85,-4.493959978452123
CSc1cccc2sc(NC(=O)c3ccc(SC(C)C)cc3)nc12,C09621226_decoy,GCR,Decoy,0,-11.518,-3.88,-1.61,-5.406339831410039
C1=C[C@@H]2c3cc(OCCc4ccccc4)ccc3N[C@@H](c3cccnc3)[C@H]2C1,C14547519_decoy,GCR,Decoy,0,-9.92035,-10.14,-3.44,-8.510849538507156
CCCC[C@H](Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1,C20132963_decoy,GCR,Decoy,0,-10.726,-7.06,-1.03,-8.099367631173385
O=C(NCCSC12CC3CC(CC(C3)C1)C2)C1=Cc2ccccc2OC1,C21095680_decoy,GCR,Decoy,0,-9.04353,-7.73,-3.19,-7.969957969069508
Cc1ccc(OCCNC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)c(C)c1,C14231681_decoy,GCR,Decoy,0,-9.65648,-6.85,-0.91,-6.403609940057144
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCCCC1,C24257563_decoy,GCR,Decoy,0,-8.61631,-7.97,-2.18,-6.677031893749768
O=C(Nc1cc(Cl)ccc1F)c1ccc(SCc2cscn2)cc1,C25245964_decoy,GCR,Decoy,0,-11.5605,-7.83,-6.27,-10.053967285814206
CSc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1,C28284426_decoy,GCR,Decoy,0,-9.86344,-6.55,-2.06,-8.28323282191261
O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2ccccc2)cc1,C36835767_decoy,GCR,Decoy,0,-9.62788,32.16,-1.59,9.505154743162764
CCOc1c(Br)cc(Cl)cc1N[C@@H](C)c1cc(C)oc1C,C36989350_decoy,GCR,Decoy,0,-8.79545,-7.58,-3.19,-8.650050273923313
COC(=O)[C@H](Nc1ccc(Br)cc1)c1c(F)cccc1Cl,C37960483_decoy,GCR,Decoy,0,-8.72871,-3.76,-2.03,-4.070310494643458
COC(=O)[C@H](Nc1ccc(Cl)cc1)c1cc(Br)ccc1F,C37962538_decoy,GCR,Decoy,0,-8.63773,-3.98,-2.29,-4.16694725537143
COC(=O)[C@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1F,C37962590_decoy,GCR,Decoy,0,-9.09291,-3.25,-0.56,-3.883788038030631
CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccco1,C04858126_decoy,GCR,Decoy,0,-9.46126,-9.68,-4.08,-9.578618708973822
CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1ccco1,C02279114_decoy,GCR,Decoy,0,-10.1374,-4.22,-2.31,-4.8899116011139485
COC(=O)[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)c(F)c1,C43391105_decoy,GCR,Decoy,0,-8.68115,-1.78,-1.25,-3.576812502641088
CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1F,C15371440_decoy,GCR,Decoy,0,-8.91382,-8.26,-1.43,-9.402126963380155
CC(C)(C)[C@H](NS(=O)(=O)c1sccc1Br)c1ccccc1,C48444976_decoy,GCR,Decoy,0,-9.21894,-7.18,-1.82,-8.891342693734261
CCCOc1ccc(Cl)cc1NC(=O)c1sccc1Br,C48801547_decoy,GCR,Decoy,0,-9.7117,-6.82,-2.69,-8.663965926387771
CC(C)Oc1ccccc1NCc1cc(Br)c(Br)o1,C50360457_decoy,GCR,Decoy,0,-8.85986,-6.35,-1.87,-8.749610549775085
Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1ccccc1C(F)(F)F,C13575666_decoy,GCR,Decoy,0,-9.00218,-4.51,-3.93,-4.447981221797967
CN(Cc1ccc(Br)s1)C(=O)NCC1(c2ccccc2)CC1,C22427236_decoy,GCR,Decoy,0,-9.31979,-6.36,-1.81,-8.345492985098195
CC(C)(C)c1ccc(SCC(=O)Nc2ccc(Br)cn2)cc1,C58824174_decoy,GCR,Decoy,0,-9.10832,-4.45,-3.69,-6.127675461364661
CC(C)(C)c1csc(SCC(=O)Nc2ccc(Br)cc2)n1,C59217484_decoy,GCR,Decoy,0,-9.721,-4.78,-2.04,-7.730601224191544
C=C(C)C(=O)Nc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1,C08186509_decoy,GCR,Decoy,0,-9.98707,-3.8,-0.74,-4.457189003618162
Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C,C59351234_decoy,GCR,Decoy,0,-8.56434,-7.86,-4.37,-7.834226185698577
Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1,C59351475_decoy,GCR,Decoy,0,-8.887,-6.13,-3.07,-8.144746483899866
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccc(Br)c1,C59383033_decoy,GCR,Decoy,0,-9.43551,-5.62,-3.25,-6.080029841336949
COc1ccc([C@@H](NC(=O)c2ccc(Br)cc2Cl)C2CC2)cc1,C59392022_decoy,GCR,Decoy,0,-9.62492,-8.7,-0.25,-20.483347492870305
O=C(CSc1cccc2cccnc12)Nc1c(Cl)cc(Cl)cc1Cl,C08379886_decoy,GCR,Decoy,0,-10.2947,-9.05,-2.81,-8.722734536278484
O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)NCc1ccccc1F,C64657780_decoy,GCR,Decoy,0,-9.67458,-4.17,-3.77,-4.725932800099532
O=C(c1cc(Cl)ccc1O)[C@@H](Br)[C@@H](Br)c1ccccc1,C01682536_decoy,GCR,Decoy,0,-9.07753,-7.67,-0.92,-8.677364472883092
O=C(Nc1ccc(Br)cc1F)[C@H](Sc1ccccc1)c1ccccc1,C02729564_decoy,GCR,Decoy,0,-10.5,-5.06,-2.78,-5.4738617289779485
C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2ccccc2I)C1,C00725120_decoy,GCR,Decoy,0,-8.94403,-2.67,-1.61,-3.7846938466919
O=C(Cc1ccc(Br)cc1)Nc1cc(Cl)c(Cl)cc1Cl,C01217413_decoy,GCR,Decoy,0,-10.5134,-7.74,-2.13,-8.769036564799732
O=C(CSCc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl,C01060788_decoy,GCR,Decoy,0,-9.83982,-3.03,-1.95,-4.118645475707667
O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl,C00641884_decoy,GCR,Decoy,0,-9.50669,-8.26,-1.23,-12.414088591889309
O=C(Nc1c(F)cccc1F)c1sc2cc(Cl)cc(Cl)c2c1Cl,C03231561_decoy,GCR,Decoy,0,-10.3031,-9.16,-1.35,-8.965169514772162
O=C(N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1,C02368211_decoy,GCR,Decoy,0,-10.8664,-7.64,-2.13,-8.520613224943114
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,C02573678_decoy,GCR,Decoy,0,-6.00457,-3.04,-3.34,-2.9822815205464885
OCc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1,C00664485_decoy,GCR,Decoy,0,-10.7659,-7.7,-1.35,-8.638040880407825
CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)c1,C02108643_decoy,GCR,Decoy,0,-11.7635,-3.82,-3.26,-5.016343184500133
Cc1c(Cl)cccc1NC(=O)C1=Cc2sc3c(c2CS1)CC[C@H](C)C3,C09211408_decoy,GCR,Decoy,0,-10.8665,-5.66,-2.9,-5.515954302153215
O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2,C11990742_decoy,GCR,Decoy,0,-11.0466,-3.95,-0.86,-3.977766540109784
COC(=O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2,C12629735_decoy,GCR,Decoy,0,-11.1809,-3.79,-0.72,-4.4416802807525215
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2,C13638433_decoy,GCR,Decoy,0,-10.7891,-3.45,-2.38,-4.266085684976456
Cc1cc(C)c([C@H]2Nc3ccc(C(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@H]32)c(C)c1,C14458196_decoy,GCR,Decoy,0,-9.89705,-2.18,-1.91,-3.430169285805847
CCN(CC)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1,C14461419_decoy,GCR,Decoy,0,-10.5202,20.2,-3.07,3.03672537307008
O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2)N1CCCCCC1,C14477307_decoy,GCR,Decoy,0,-11.3268,-3.58,-1.67,-4.253963884364307
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1,C14550052_decoy,GCR,Decoy,0,-8.18464,-11.08,-5.29,-8.189105184602006
O=C(Nc1ccc(Br)cc1Cl)c1ccc(C2SCCS2)cc1,C14785296_decoy,GCR,Decoy,0,-12.0318,-3.46,-0.64,-5.097035446476147
Cc1ccc(NC(=O)CSc2ccc(Br)cc2)c(Br)c1,C15315741_decoy,GCR,Decoy,0,-9.53736,-4.01,-1.77,-4.23298171642715
O=C(Nc1ccccc1Br)C1=Cc2sc3c(c2CS1)CCCC3,C20557406_decoy,GCR,Decoy,0,-11.095,-5.11,-1.74,-5.428093359779978
CCc1ccc(Cl)c(CC)c1NC(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1,C14229463_decoy,GCR,Decoy,0,-12.2631,-4.06,-2.56,-5.597815775218622
Cc1ccc(NC(=O)c2cc(Br)ccc2I)cc1,C27389592_decoy,GCR,Decoy,0,-8.66984,-7.93,-1.46,-7.798385926169827
O=C(Nc1cc(Br)ccc1Br)c1ccc(Br)cc1F,C31950423_decoy,GCR,Decoy,0,-10.0726,-8.31,-2.2,-8.81768498796082
FC(F)(F)c1cccc2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21,C32125496_decoy,GCR,Decoy,0,-9.38708,-4.15,-3.39,-4.59353583220214
FC(F)Oc1c(Br)cc(Cl)cc1NCc1ccc(Br)s1,C36989718_decoy,GCR,Decoy,0,-9.7686,-2.29,-1.92,-4.044634963998748
C[C@H](Nc1ccc(I)cc1Cl)c1cc2ccccc2o1,C37105324_decoy,GCR,Decoy,0,-8.7959,-7.48,-0.41,-6.869558920468279
C[C@@H](Nc1cc(Br)ccc1N(C)C)c1ccc(Br)cc1,C37139423_decoy,GCR,Decoy,0,-9.46812,-7.34,-1.92,-8.240596322369193
Brc1ccc2c(c1)OCCC[C@@H]2Nc1ccccc1Br,C37203484_decoy,GCR,Decoy,0,-9.03482,-7.98,-0.1,-7.654169651474051
C[C@H](Nc1ccc(Br)cc1Br)c1ccc(N(C)C)cc1,C37278736_decoy,GCR,Decoy,0,-9.70847,-7.23,-0.18,-8.769321750693189
FC(F)(F)c1ccc(NCc2ccc(I)o2)c(Cl)c1,C37295745_decoy,GCR,Decoy,0,-8.23643,-6.74,-1.31,-5.918366789386802
COc1ccc([C@@H](C)Nc2ccc(I)cc2C)cc1Br,C37297622_decoy,GCR,Decoy,0,-10.0705,-6.9,-2.02,-8.323346114618415
C[C@@H](Nc1ccc(Cl)c2ncccc12)c1ccc(I)cc1,C37312733_decoy,GCR,Decoy,0,-9.97282,-7.32,-4.1,-7.872723993204906
O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1Cl,C39372905_decoy,GCR,Decoy,0,-11.0443,-5.35,-5.4,-4.955747895394827
Oc1ccccc1[C@H]1N=C(c2ccccc2)C(c2ccc(Br)cc2)=N1,C39550477_decoy,GCR,Decoy,0,-9.77883,38.26,-2.06,11.8963583407463
Cc1cc(Br)c(NC(=O)c2ccc(Br)s2)c(Br)c1,C40214582_decoy,GCR,Decoy,0,-10.0207,-5.92,-1.86,-7.385145498466289
COc1c(Br)cc(Cl)cc1[C@@H](O)c1ccc(Br)s1,C40242067_decoy,GCR,Decoy,0,-11.0941,-8.09,-1.1,-9.315030623799403
O=C1CCCc2cc([C@H](Br)c3ccccc3I)ccc2N1,C40288857_decoy,GCR,Decoy,0,-10.6481,-9.01,-2.67,-9.14544197142292
Cc1ccc(C2=C(C(=O)Nc3ccc(I)cc3)SCCS2)cc1,C41002252_decoy,GCR,Decoy,0,-9.49161,-3.6,-2.98,-4.011430258755349
C[C@@H](Nc1ccc(Br)cc1Br)C(=O)N1CCCCCC1,C42304923_decoy,GCR,Decoy,0,-9.31068,-6.7,-0.13,-8.294973123474973
COc1ccc2cc([C@@H](O)c3ccc(I)cc3)ccc2c1,C49956052_decoy,GCR,Decoy,0,-9.53476,-9.02,-0.6,-11.327432326132993
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2I)C1,C12403937_decoy,GCR,Decoy,0,-9.52991,-0.65,-1.47,-3.7013816693473087
Cc1cc(Br)c(/N=C2/N[C@]3(CCC[C@@H](C)C3)CS2)c(Br)c1,C53098465_decoy,GCR,Decoy,0,-11.0709,-7.93,,99.0
Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(Br)cc1Br,C54362967_decoy,GCR,Decoy,0,-10.0717,-8.14,-0.08,-9.065896917685066
Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(Br)cc1Br,C54362970_decoy,GCR,Decoy,0,-9.88639,-8.06,-0.08,-11.402184337620763
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2,C58851376_decoy,GCR,Decoy,0,-10.9815,-3.24,0.08,-3.7732778745119617
Oc1c(Br)cc(Cl)cc1/N=N/c1ccc(I)cc1,C13980771_decoy,GCR,Decoy,0,-9.5898,-5.77,-3.87,-4.712543049571684
C/C(=N\N=c1/[nH]c(-c2ccc(Br)cc2)cs1)c1ccc(F)cc1,C05910255_decoy,GCR,Decoy,0,-9.77386,-5.29,-2.9,-5.0932853108612735
O=C(N/N=C/c1ccc2c(c1)Cc1ccccc1-2)c1cccc(Br)c1,C59157607_decoy,GCR,Decoy,0,-9.5089,-3.66,-1.4,-3.973235746716917
CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccc4nc(C)ccc4c32)cc1,C01069803_decoy,GCR,Decoy,0,-6.21229,-4.05,-2.44,-2.5240054912213767
CSc1nsc(SC)c1C(=O)Nc1ccc(Br)c(C)c1,C01056227_decoy,GCR,Decoy,0,-10.5006,-6.69,-1.79,-9.50614070643104
O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1,C04182455_decoy,GCR,Decoy,0,-10.1553,-2.91,-2.65,-3.6797761425371953
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(Cl)c1,C01115883_decoy,GCR,Decoy,0,-8.94611,-3.93,-1.08,-4.191254963589702
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccccc1F,C01159273_decoy,GCR,Decoy,0,-11.0846,-9.08,-0.4,-10.293724801220472
C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1CCCC2,C01116224_decoy,GCR,Decoy,0,-9.49845,-3.96,-0.8,-4.209034256851498
Fc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,C01079829_decoy,GCR,Decoy,0,-9.96105,-4.08,-6.26,-4.393607513639148
O=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1cccs1,C05174558_decoy,GCR,Decoy,0,-10.6102,-7.87,-1.72,-11.015032553813493
C/C(=N\NC(=O)c1ccccc1Br)c1ccc(Br)cc1,C05382022_decoy,GCR,Decoy,0,-9.04676,-3.43,-1.33,-4.123321840200714
Cc1cc(NCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1Br,C07776985_decoy,GCR,Decoy,0,-9.75018,-8.91,-0.83,-13.740468314437416
Cc1cccc([C@@H]2Nc3c(C(=O)N(C)C4CCCCC4)cccc3[C@H]3C=CC[C@H]32)c1,C14480122_decoy,GCR,Decoy,0,-9.49613,-2.59,-4.39,-3.846512892185604
O=C1/C(=C\c2ccc(-c3ccccc3)cc2)NC(=S)N1c1ccccc1F,C15256457_decoy,GCR,Decoy,0,-10.4345,-4.55,-0.66,-4.653913256573602
Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2sccc2C)n1,C19223762_decoy,GCR,Decoy,0,-9.34431,-3.82,-3.31,-3.86036625093164
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(Br)c1,C01896263_decoy,GCR,Decoy,0,-10.4847,-9.81,-4.25,-9.778613453242176
C[C@H](Nc1ccc(I)cc1)c1nc2ccccc2n1C,C20477401_decoy,GCR,Decoy,0,-8.59274,-7.45,-0.76,-7.753900671676264
C[C@H](Nc1cccc(I)c1)c1ccc2c(c1)OCCCO2,C20478654_decoy,GCR,Decoy,0,-9.17229,-5.42,-0.41,-4.857702385107413
Fc1ccc(CN2CCC[C@@H](c3[nH]ncc3-c3c(F)cccc3F)C2)cc1F,C20598349_decoy,GCR,Decoy,0,-9.71384,-8.4,-2.16,-8.109338195674283
O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)s1,C03198498_decoy,GCR,Decoy,0,-8.70337,-2.58,-0.42,-3.3508564756979675
O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@H]1c1cccs1,C23023273_decoy,GCR,Decoy,0,-9.45177,-3.94,-0.72,-4.082320011111047
O=S(=O)(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Br)s1,C29388174_decoy,GCR,Decoy,0,-9.58991,-6.84,-0.43,-9.548749368525415
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccccc1I,C31656099_decoy,GCR,Decoy,0,-8.12776,-3.22,-1.62,-3.827619804622204
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)COc1ccccc1I,C31656103_decoy,GCR,Decoy,0,-8.37968,-7.94,-1.59,-8.48074869478714
C[C@H]1[C@@H](NC(=O)COc2ccccc2I)CCC[C@@H]1C,C31656105_decoy,GCR,Decoy,0,-8.51961,-7.72,-1.6,-8.211046330625207
Cc1cc(SCC(=O)N/N=C2/CCCC[C@H]2C)c(C)cc1Br,C33044041_decoy,GCR,Decoy,0,-9.60155,-6.35,-3.11,-7.776438568578644
Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(Br)ccc1F,C36339047_decoy,GCR,Decoy,0,-9.80454,-3.35,-1.17,-4.051126537205932
Cn1ncc2c1CCC[C@H]2Nc1c(Cl)cc(Br)cc1Cl,C37051921_decoy,GCR,Decoy,0,-9.95331,-7.53,-4.15,-9.312113389559368
C[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(Br)cc1,C37974785_decoy,GCR,Decoy,0,-9.27588,-3.09,-1.58,-3.95553526135092
O=C1/C(=C/c2c(O)ccc3ccccc23)SC(=S)N1Cc1ccccc1,C38189283_decoy,GCR,Decoy,0,-10.2711,-8.73,-3.98,-8.519692671740371
CNC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1,C08680951_decoy1,GCR,Decoy,0,-8.41134,-5.93,,-6.235282380808443
C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(F)cc3)sc(=S)c2C1,C41012668_decoy,GCR,Decoy,0,-9.90247,-2.82,-4.18,-3.556326953366152
Cc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)c(Br)c1,C43328455_decoy,GCR,Decoy,0,-9.56275,-7.34,-1.26,-12.67511483882483
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(Br)cc1Cl,C43420601_decoy,GCR,Decoy,0,-9.21338,-6.9,-1.16,-9.17162432791246
Cc1cc(Br)c(NC(=O)[C@H](C#N)C(C)C)c(Br)c1,C44814372_decoy,GCR,Decoy,0,-8.65457,-6.62,,99.0
Cc1ccc(Br)cc1NC(=O)c1oc(Br)cc1C,C46376271_decoy,GCR,Decoy,0,-9.30983,-8.56,-0.96,-7.496065418247918
Cc1cc(Br)cc(Cl)c1NC(=O)N(C)Cc1cccs1,C48096270_decoy,GCR,Decoy,0,-9.58727,-7.42,-5.64,-13.122693711081986
Clc1nc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)cs1,C48837398_decoy,GCR,Decoy,0,-10.7367,-3.99,-0.9,-4.498962894414139
Clc1nc(NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cs1,C48837401_decoy,GCR,Decoy,0,-10.3833,-2.45,-0.3,-4.290042855644166
Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(Br)s2)s1,C49247385_decoy,GCR,Decoy,0,-9.14129,-6.97,-1.52,-8.065930707176888
Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(Br)s2)s1,C49247386_decoy,GCR,Decoy,0,-9.15422,-7.08,-3.59,-7.996448308027042
O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc(Cl)s1,C49392916_decoy,GCR,Decoy,0,-10.5397,-6.42,-1.49,-8.109205313158965
Cc1ccc2[nH]c(S/C=C/C(=O)c3cccc(Br)c3)nc2c1,C01041329_decoy,GCR,Decoy,0,-10.7124,-8.14,-1.41,-7.4965522917960286
Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(Br)s2)s1,C54729691_decoy,GCR,Decoy,0,-9.498,-5.37,-1.5,-7.949901800114901
CC(=O)c1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1,C01196124_decoy,GCR,Decoy,0,-10.5956,-7.06,-1.78,-8.043152180141798
Ic1ccccc1/C=N/Nc1ccc2ccccc2n1,C57411547_decoy,GCR,Decoy,0,-8.54099,-2.8,-0.97,-3.421990952515923
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CNc1ccccc1,C59377177_decoy,GCR,Decoy,0,-10.5046,-8.01,-2.1,-8.245829646791258
C[C@H]1CCc2c(C(=O)NC3CCN(c4ccc(F)cc4)CC3)csc2C1,C59981996_decoy,GCR,Decoy,0,-10.2252,-3.49,-3.56,-4.077886251314886
Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)ccc1N(C)C,C60300456_decoy,GCR,Decoy,0,-9.76073,-3.29,-3.61,-4.08630714715866
N#C[C@H](C(=O)Nc1cc(Br)ccc1Br)c1ccccc1,C61614855_decoy,GCR,Decoy,0,-9.43257,-7.76,-1.56,-10.666718343689125
CNC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1,C08680951_decoy2,GCR,Decoy,0,-9.13511,-3.17,,-4.073287135434014
CSc1ccc(C)c(C(=O)Nc2ccc(N3CCSCC3)cc2C)c1,C65174004_decoy,GCR,Decoy,0,-11.8809,-2.12,-1.88,-4.197594857564013
C#CCNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1,C04040948_decoy,GCR,Decoy,0,-9.01814,-1.91,-3.34,-3.4335675642174586
S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1cccs1,C04088186_decoy,GCR,Decoy,0,-10.138,-8.39,-1.94,-9.178539357232834
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1cccc(O)c1,C01208858_decoy,GCR,Decoy,0,-10.483,-9.98,-1.3,-11.001167740941051
CSc1nsc(SC)c1C(=O)Nc1ccc(Br)cc1,C01056169_decoy,GCR,Decoy,0,-10.1679,-5.91,-1.4,-14.448613374727296
Cc1cc(C)cc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1,C01156681_decoy,GCR,Decoy,0,-9.23754,-7.34,-0.92,-8.44048944310705
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)NC2=S)cc1,C05517696_decoy,GCR,Decoy,0,-10.793,-4.23,-0.4,-4.444393375386102
C[P@@](=O)(Nc1cccc(Cl)c1Cl)c1nc2c(s1)CCCC2,C05523674_decoy,GCR,Decoy,0,-8.74658,-3.04,-0.96,-3.675658301198863
O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CNc1cccc(F)c1,C01445043_decoy,GCR,Decoy,0,-11.1322,-8.32,-0.3,-7.499851749177275
Cc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1,C01027981_decoy,GCR,Decoy,0,-8.39478,-7.43,-2.04,-7.994766891373556
N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccccc1Cl,C06410803_decoy,GCR,Decoy,0,-9.43594,-2.42,-2.16,-3.626903839115277
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cs2)cc1,C07159258_decoy,GCR,Decoy,0,-10.039,-3.5,-1.06,-4.80438473105328
Cc1c(C(=O)NCCc2cccs2)oc2ccc(Br)cc12,C12758121_decoy,GCR,Decoy,0,-9.35413,-3.57,-0.15,-4.2135552503587945
CSc1nc(C)c(CC(=O)Nc2ccc(C)cc2Br)s1,C12811859_decoy,GCR,Decoy,0,-10.8987,-7.39,-1.89,-12.34487765533374
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Br)s1,C12543861_decoy,GCR,Decoy,0,-10.8137,15.84,0.11,1.9997206698452143
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2,C14456191_decoy,GCR,Decoy,0,-10.5187,-9.44,-2.58,-11.026558384788125
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2,C14456848_decoy,GCR,Decoy,0,-10.5752,-1.62,-3.52,-3.844330566657617
CSc1ccc([C@@H]2Nc3ccc(N(C)C(C)=O)cc3[C@@H]3C=CC[C@H]32)cc1,C14551767_decoy,GCR,Decoy,0,-11.0656,-2.28,-5.08,-4.005421126006568
Cc1ccc(Cn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)cc1,C15800578_decoy,GCR,Decoy,0,-10.4908,-8.38,-3.37,-8.013793567478201
Cc1cc(C)cc(C2(CNC(=O)[C@@H]3C[C@H]4C=C[C@@H]3C43CC3)CCOCC2)c1,C19569528_decoy,GCR,Decoy,0,-10.5763,-7.02,-3.91,-9.092211703134776
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2,C20689810_decoy,GCR,Decoy,0,-10.3758,-10.23,-3.37,-9.723270850943404
C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccccc1Cl,C22022464_decoy,GCR,Decoy,0,-9.85238,-7.97,-1.16,-8.259705037604919
O=C(NCC1(c2cccs2)CCOCC1)c1ccc(Cl)cc1Cl,C23238129_decoy,GCR,Decoy,0,-10.1132,-4.29,-1.84,-4.760601841911133
O=C1CCc2cc(C(=O)CSc3ccccc3Br)ccc2N1,C24504138_decoy,GCR,Decoy,0,-9.70007,-8.64,-1.72,-12.506239291729376
Cc1ccsc1/C=N\NC(=O)c1cccc(I)c1,C33336548_decoy,GCR,Decoy,0,-9.37306,-3.42,-0.81,-4.031913595510842
Cc1cn2c(CNc3c(F)cc(F)cc3Br)c(C)nc2s1,C36822545_decoy,GCR,Decoy,0,-9.38717,-7.44,-1.01,-7.767562566920402
O=C(Cc1nc(CCl)cs1)Nc1c(Cl)cc(Cl)cc1Cl,C36888913_decoy,GCR,Decoy,0,-10.2773,-6.85,-3.6,-7.915986835056057
Cc1cc(Br)c(NCc2csnn2)c(Br)c1,C36902172_decoy,GCR,Decoy,0,-9.56655,-7.17,-1.31,-7.913128330704204
C[C@@H](Nc1cc2c(cc1Br)OCCO2)c1cccc(Cl)c1,C36954691_decoy,GCR,Decoy,0,-9.33847,-8.14,-1.32,-8.177295205977497
Cc1nc(-c2ccc(N[C@@H](C)c3sccc3Br)cc2)co1,C37293999_decoy,GCR,Decoy,0,-10.5979,-4.06,-1.04,-5.014229788727292
C[C@H](Nc1ccccc1N1CCOCC1)c1ccc(Br)s1,C38002817_decoy,GCR,Decoy,0,-9.39616,-3.23,-3.89,-3.881798741196841
O=C(COc1ccc(Br)cc1Br)NC1CCCC1,C03515815_decoy,GCR,Decoy,0,-8.56888,-7.09,-1.36,-8.01765167637451
O[C@@H](c1cc2c(cc1Br)OCCO2)c1c(Cl)cccc1Cl,C40259442_decoy,GCR,Decoy,0,-9.57411,-6.69,-0.2,-9.03701040185218
O=S(=O)(Nc1ccc(I)cc1)C1CCCCC1,C42418145_decoy,GCR,Decoy,0,-8.44985,-3.74,-0.49,-3.8671883496686186
O=C(Nc1cc(Br)ccc1F)c1ccc(Br)o1,C44500985_decoy,GCR,Decoy,0,-8.2338,-7.43,-0.84,-7.06173676664363
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)s1)C(=O)NC1CC1,C45799392_decoy,GCR,Decoy,0,-10.6205,-4.5,-1.63,-6.0885182718452615
Cc1c(C(=O)NCCc2ccsc2)oc2ccc(Br)cc12,C46645124_decoy,GCR,Decoy,0,-9.32891,-2.86,-0.47,-3.892923643801879
CC[C@@H](C)N(C)C(=O)Nc1ccc(Br)cc1Br,C47337438_decoy,GCR,Decoy,0,-8.20978,-7.27,-2.09,-11.27007474739574
CC[C@@H](C)N(C)C(=O)Nc1cc(Br)ccc1Br,C47486436_decoy,GCR,Decoy,0,-7.94241,-6.48,-2.21,-9.294252048762637
O=S(=O)(NC1(c2ccc(Br)cc2)CCC1)c1cccs1,C48672991_decoy,GCR,Decoy,0,-10.2721,-7.23,-2.12,-9.035278511103328
C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1,C49239138_decoy,GCR,Decoy,0,-7.62618,-5.5,-0.88,-7.132271462014566
O=c1cc(CSc2ccccc2O)c2ccc(Br)cc2o1,C50046605_decoy,GCR,Decoy,0,-8.70556,-4.92,-0.64,-4.5638968674674025
O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1Cc1cccs1,C54499526_decoy,GCR,Decoy,0,-11.6337,-7.28,-0.8,-8.728841451548659
CNc1nc(CSc2cccc(Br)c2)nc2sccc12,C55309667_decoy,GCR,Decoy,0,-10.8251,-2.75,-3.22,-4.151583194562591
N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc(F)cc1F,C32811862_decoy,GCR,Decoy,0,-9.4412,-2.89,-0.43,-3.776167048186658
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Br)s1)c1ccccc1,C59133389_decoy,GCR,Decoy,0,-7.73771,-6.87,-3.18,-6.859090813466142
CN(C)c1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1Br,C59408954_decoy,GCR,Decoy,0,-8.825,-6.91,-4.21,-6.6418318235219305
N#CC1(NC(=O)c2cc(Br)c(Br)s2)CCCC1,C61171745_decoy,GCR,Decoy,0,-8.51062,-6.0,-0.51,-6.929594585254071
Cn1cc(Br)cc1C(=O)Nc1cc(Br)ccc1Cl,C61693002_decoy,GCR,Decoy,0,-9.208,-8.06,-1.59,-6.333112498740217
O=C(N[C@H](c1ccc(Cl)cc1)c1ccsc1)N1CCCSCC1,C66349477_decoy,GCR,Decoy,0,-9.64065,-4.3,-2.78,-4.58723603662618
CC(C)c1nc(CC(=O)Nc2cc(Br)ccc2Cl)cs1,C66428601_decoy,GCR,Decoy,0,-10.072,-7.63,-2.47,-7.495663055071919
C[C@@H](C(=O)Nc1ccccc1Br)N1C(=O)c2cccc3cccc1c23,C01061862_decoy,GCR,Decoy,0,-8.71922,-6.02,-5.49,-4.678577908230281
O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)Nc1c(Cl)cccc1Cl,C00753764_decoy,GCR,Decoy,0,-9.68845,-5.08,-3.83,-5.153021765494459
CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1,C02500122_decoy,GCR,Decoy,0,-9.92907,-4.86,-3.62,-4.406117659622647
COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2,C00655523_decoy,GCR,Decoy,0,-10.2745,-3.68,-1.54,-4.643739320318761
O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1sc2ccccc2c1Cl,C04488436_decoy,GCR,Decoy,0,-10.2222,-3.1,-3.33,-4.32232190076759
CCOc1ccc(NC(=O)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1,C04490780_decoy,GCR,Decoy,0,-10.6973,-6.99,-1.28,-11.482904602639383
Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(C)c2ccc(Br)cc21,C04555001_decoy,GCR,Decoy,0,-10.2706,-5.66,-4.61,-5.295158575560045
COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2,C02082057_decoy,GCR,Decoy,0,-10.5747,-5.33,,99.0
O=C(COc1ccc2ccccc2c1Br)Nc1nc2ccccc2s1,C01124497_decoy,GCR,Decoy,0,-10.2089,-4.48,-1.18,-5.02436687842328
COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2,C01088609_decoy,GCR,Decoy,0,-10.7635,-0.84,-0.74,-3.4578904806921216
Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3F)sc2c2ccc(Cl)cc21,C05022195_decoy,GCR,Decoy,0,-10.4446,-4.75,-0.76,-4.943985055305046
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1Br,C01453329_decoy,GCR,Decoy,0,-9.30717,-4.25,-1.8,-4.5800869048807495
Cc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)c(C)c1,C01971224_decoy,GCR,Decoy,0,-9.05392,-8.53,-1.67,-6.017121213423133
O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ncc(Cl)cc1Cl,C03273536_decoy,GCR,Decoy,0,-11.9898,-2.8,-1.48,-4.56693324489618
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N(C)C)CC[C@@H](C(C)(C)C)C3)c1,C06034559_decoy,GCR,Decoy,0,-9.16096,-3.62,-4.83,-4.36688832441
Cc1ccc(N2C(=O)CS[C@@H]2c2ccccc2NC(=O)c2ccc(F)cc2)c(C)c1,C06734113_decoy,GCR,Decoy,0,-9.83938,-9.82,-4.47,-8.998281255294486
O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1N1CCOCC1,C08727637_decoy,GCR,Decoy,0,-10.1473,-7.69,-5.03,-8.726697967591438
Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1,C10266880_decoy,GCR,Decoy,0,-10.151,-7.68,-1.67,-8.793380399126537
O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)ccc1Br,C10985843_decoy,GCR,Decoy,0,-11.4555,10.82,-2.91,-0.2068731900294211
O=C(c1cccc(Cl)c1)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1,C12111983_decoy,GCR,Decoy,0,-8.49215,-2.44,-4.02,-3.52029948058134
Cc1cc(Cl)ccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21,C06626622_decoy,GCR,Decoy,0,-9.85114,-7.45,-1.52,-11.880187070062108
Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)n2c1,C06971036_decoy,GCR,Decoy,0,-9.47014,-4.65,-4.79,-4.825130805443318
Cc1ccc(C(=O)N2Cc3sc4ccccc4c3C[C@@H]2C(=O)NC2CCCCC2)cc1,C13833828_decoy,GCR,Decoy,0,-10.7182,-1.78,-3.16,-3.7699232674258494
CC[C@H]1CCC2=NN(C(=O)c3ccc(Br)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1,C13898902_decoy,GCR,Decoy,0,-8.24917,-2.05,-1.26,-3.332809740396105
Cc1cc(C)c([C@H]2Nc3ccc(S(=O)(=O)N4CCCC4)cc3[C@H]3C=CC[C@H]32)c(C)c1,C14457776_decoy,GCR,Decoy,0,-11.308,4.57,-2.25,-1.9975859948403647
Cc1cc2nc(/C(C#N)=C/c3ccc(N(C)C)c(Br)c3)[nH]c2cc1C,C15009396_decoy,GCR,Decoy,0,-10.3147,24.12,-1.33,5.368240613863889
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1,C04181450_decoy,GCR,Decoy,0,-9.42453,-3.2,-2.06,-4.039073446462659
Cc1cccc(-n2c(SCCO)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1,C09250961_decoy,GCR,Decoy,0,-11.274,-3.59,-3.47,-4.709604418643883
Fc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)s1)C2,C21038863_decoy,GCR,Decoy,0,-10.2852,-8.97,-28.14,-11.791738766830722
C[C@@H]1CCCN(C(=O)c2ccc(-c3cc(-c4cccc5ccccc45)n[nH]3)cc2)C1,C23439994_decoy,GCR,Decoy,0,-9.82304,-3.94,-3.95,-4.063414859248119
Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c(C)c1,C09462310_decoy,GCR,Decoy,0,-9.35235,-3.61,-4.89,-4.30404694075992
Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)c1,C13714490_decoy,GCR,Decoy,0,-9.20494,-4.19,-2.75,-4.492356538035276
O=C1S[C@@H](Nc2cccc(Br)c2)C(=O)N1c1cccc2ccccc12,C33569831_decoy,GCR,Decoy,0,-9.56877,-10.05,-1.37,-8.922992989363129
CN(C(=O)C#Cc1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1c(Cl)cccc1Cl,C36530506_decoy,GCR,Decoy,0,-9.03056,-3.24,-2.78,-4.145238882966575
Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1,C13714610_decoy,GCR,Decoy,0,-5.72089,-5.43,-3.59,-3.777989902806632
C[C@H](Nc1cc(Br)ccc1Br)c1ccccc1[N+](=O)[O-],C37121720_decoy,GCR,Decoy,0,-8.20018,-7.74,-1.82,-7.978333554235215
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)o1,C02861854_decoy,GCR,Decoy,0,-9.29654,-3.34,-1.73,-4.337153528746334
C/C(=N/NC(=O)c1cc(C2CC2)nc2ccc(Br)cc12)c1ccccc1,C38205857_decoy,GCR,Decoy,0,-9.8879,-5.88,-4.77,-7.579173936992139
C[C@H]1CCc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)c(C#N)cc2C1,C39326443_decoy,GCR,Decoy,0,-10.5796,-7.21,-4.01,-7.25420519091451
CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1,C46078590_decoy,GCR,Decoy,0,-12.1116,12.52,-4.96,0.1256208692460655
CC(C)c1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1,C01128854_decoy,GCR,Decoy,0,-11.3229,-1.15,-3.25,-4.517450081856082
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(Br)ccc3OC(C)C)nc2c1,C04115202_decoy,GCR,Decoy,0,-8.7355,-8.37,-3.65,-7.258061138887587
Cc1oc(C)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1Br,C58736341_decoy,GCR,Decoy,0,-10.5116,-3.26,-2.11,-4.158255133253117
C#Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)c1,C59037697_decoy,GCR,Decoy,0,-6.94356,-6.26,-0.58,-4.496251777318413
O=C1/C(=C/N2CCCCC2)SC(=S)N1c1ccccc1Nc1ccccc1,C59397536_decoy,GCR,Decoy,0,-9.77506,-8.28,,99.0
Cc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)[C@]23CCOC(C)(C)C3)c1,C13471595_decoy,GCR,Decoy,0,-9.27582,-3.59,-2.44,-3.84996606582281
O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1,C36635911_decoy,GCR,Decoy,0,-10.0416,-4.5,-1.19,-4.356116267209299
Cc1ccc(-c2cn3c(CC(=O)Nc4cccc(Br)c4)csc3n2)cc1,C64676157_decoy,GCR,Decoy,0,-12.3375,-6.88,-0.86,-6.3503754158972745
O=C(NC1CCCCCC1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1,C65085418_decoy,GCR,Decoy,0,-9.46997,-4.68,-2.92,-4.486699817541518
Cc1cc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)ccc1Br,C66200778_decoy,GCR,Decoy,0,-9.74041,-2.88,-2.02,-4.036032780951187
O=C(c1ccccc1)c1coc2cc(Br)c(O)c(Br)c12,C00977853_decoy,GCR,Decoy,0,-10.39,-8.23,-2.35,-8.322964305388554
O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(ccc3ncccc13)N2,C04615527_decoy,GCR,Decoy,0,-10.5191,-4.9,-2.79,-4.108479533385368
Cc1ccc2cc(/N=C/c3c(C)c(Cl)c(C)c(Br)c3O)ccc2n1,C03114327_decoy,GCR,Decoy,0,-10.9939,-3.64,-3.37,-4.107719848692358
N#CCOc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1,C04690320_decoy,GCR,Decoy,0,-10.9176,-8.88,-1.81,-13.479151012838342
O=CNc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2,C01569595_decoy,GCR,Decoy,0,-10.5269,-7.4,0.04,-7.76143322875671
O=C(Nc1ccc(I)cc1)c1c2c(nc3ccccc13)CCC2,C02632488_decoy,GCR,Decoy,0,-9.21982,-3.33,-2.12,-3.747719281866511
O=C(/C=C/c1ccccc1)Nc1c(Br)cc(Br)cc1Br,C01751892_decoy,GCR,Decoy,0,-10.2393,2.92,-1.82,-2.594601415425071
O=C(Nc1ccc(I)cc1Cl)c1c(F)c(F)c(F)c(F)c1F,C02846373_decoy,GCR,Decoy,0,-8.62601,-3.86,-0.43,-3.6446159374509697
Cc1ccccc1N1C2=CCCCCN2C[C@@]1(O)c1ccc(Br)cc1,C06996256_decoy,GCR,Decoy,0,-9.72166,-3.45,-1.15,-3.8584780649719
CCC[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2,C08454311_decoy,GCR,Decoy,0,-10.7651,-3.36,-2.58,-5.076647825850278
Cc1sc2nc(/C(Cl)=C/c3cc(Br)ccc3F)[nH]c(=O)c2c1C,C09630457_decoy,GCR,Decoy,0,-10.8014,-3.22,-2.45,-4.494833350012632
O=C1c2ccccc2[C@@H](Nc2ccc(Br)cc2F)N1c1ccc(Cl)cc1,C09638833_decoy,GCR,Decoy,0,-8.69999,-3.18,-1.44,-3.6591774840666114
COc1ccc(Br)cc1[C@H]1Nc2ccc(C(C)=O)cc2[C@H]2C=CC[C@H]21,C12380172_decoy,GCR,Decoy,0,-10.6086,-10.35,-0.41,-10.642328479651605
C/C(=N\NC(=O)c1ccc(C)c(Br)c1)c1ccc(Br)cc1,C12488821_decoy,GCR,Decoy,0,-9.60319,-2.83,-1.39,-4.111362485653826
C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C13689122_decoy,GCR,Decoy,0,-11.5629,-2.27,-5.63,-3.95110837146185
O=C(Nc1ccc(I)cc1F)c1cc(Br)ccc1Cl,C14272892_decoy,GCR,Decoy,0,-9.52839,-8.4,-0.67,-8.21290335053305
CCN(CC)c1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1,C14461418_decoy,GCR,Decoy,0,-10.9394,-4.37,-2.82,-4.9774342242418905
CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2Cl)N3)CC1,C14466652_decoy,GCR,Decoy,0,-10.6426,-4.18,-2.54,-4.320698126400977
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21,C15218470_decoy,GCR,Decoy,0,-9.96536,-4.39,-1.0,-4.358996497981251
CSc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2F)cc1,C15822588_decoy,GCR,Decoy,0,-8.9483,-3.25,-3.62,-3.774325433812046
Brc1ccc(-c2nc(-c3ccccn3)[nH]c2-c2ccc(Br)cc2)cc1,C20534484_decoy,GCR,Decoy,0,-6.54813,-3.06,-4.11,-2.8705167135452543
O=C(CSCc1ccc(Cl)s1)Nc1ccccc1I,C23120049_decoy,GCR,Decoy,0,-9.75215,-7.65,-1.73,-8.375447613414394
Cc1nc([C@H](C)Nc2c(Br)cc(Br)cc2Br)cs1,C36915536_decoy,GCR,Decoy,0,-10.7358,-6.33,-2.35,-10.751970960555012
Brc1ccc(NCc2ccc(Br)o2)c(Br)c1,C36956810_decoy,GCR,Decoy,0,-8.76132,-6.18,-0.84,-6.7372097679644805
CCOc1c(Br)cc(Cl)cc1NCc1ccc(Br)s1,C36989261_decoy,GCR,Decoy,0,-9.9826,-6.05,-1.49,-7.372000814801986
Cc1ccc(Br)cc1NCc1cc2c(cc1Br)OCO2,C37091508_decoy,GCR,Decoy,0,-9.16535,-8.18,-1.21,-10.942868092013
CO[C@@H]1CCCC[C@H]1Nc1c(Br)cc(Br)cc1Br,C37248833_decoy,GCR,Decoy,0,-10.5077,-7.04,-0.54,-11.612434388206683
Fc1ccc(Br)cc1N[C@H]1CCOc2ccc(Br)cc21,C37262295_decoy,GCR,Decoy,0,-9.73126,-8.39,-1.19,-11.8860222099712
C[C@@H](Cc1ccc(Br)cc1)NCc1ccc(I)o1,C37293106_decoy,GCR,Decoy,0,-8.63814,-6.63,-1.17,-11.103712898867778
Cc1ccc(N[C@@H]2CCCOc3cc(Br)ccc32)cc1I,C37296953_decoy,GCR,Decoy,0,-10.1857,-6.06,-0.65,-7.166822975351738
Cc1ccc(Br)cc1N[C@@H]1CCOc2ccc(Br)cc21,C37305692_decoy,GCR,Decoy,0,-9.726,-7.23,-0.76,-7.577258852679905
OCc1ccc(Br)cc1Oc1ccc(I)cc1,C36670873_decoy,GCR,Decoy,0,-9.33761,-7.26,-0.8,-7.385136784302226
C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cc1F,C37503731_decoy,GCR,Decoy,0,-9.37244,-4.39,-0.88,-4.587220322079701
C[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br,C37574966_decoy,GCR,Decoy,0,-9.43256,-7.79,-0.31,-8.53573052101203
C=C1NC(=O)[C@@H](C(=O)/C=C/c2ccc(I)cc2)C2=C1CCCC2,C39443794_decoy,GCR,Decoy,0,-9.62038,-2.76,-0.72,-3.5929902396825715
Oc1ccccc1-c1cc(I)n2c(Br)cnc2c1,C39459792_decoy,GCR,Decoy,0,-9.07627,-8.87,-1.99,-6.967919070600243
O=C(Cc1coc2ccc(Br)cc12)Nc1ccc(I)cc1,C39882552_decoy,GCR,Decoy,0,-10.1617,-7.69,-2.06,-8.095034731067555
O=C1CCc2cc([C@@H](Cl)c3ccc(I)cc3)ccc2N1,C40270868_decoy,GCR,Decoy,0,-10.3652,-7.3,-0.64,-7.947882037041912
O=C1Cc2cc([C@H](Cl)c3ccccc3I)c(Cl)cc2N1,C40276477_decoy,GCR,Decoy,0,-8.68644,-8.43,-0.98,-9.656627847528634
O=C1Cc2cc([C@H](Br)c3ccccc3I)c(Cl)cc2N1,C40289569_decoy,GCR,Decoy,0,-9.77343,-8.11,0.09,-7.722699380101016
O=C(Nc1c(Cl)ccc2scnc12)c1cccc(I)c1,C42434764_decoy,GCR,Decoy,0,-9.60269,-8.03,-3.75,-7.094662488661545
Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(Br)ccc1Br)C2,C45935091_decoy,GCR,Decoy,0,-10.382,-9.15,-0.56,-13.620064333630287
Cc1cc(N(C)C)ccc1NC(=O)c1cc(Br)c(Br)s1,C46674999_decoy,GCR,Decoy,0,-10.2678,-6.22,-5.92,-6.60333768007707
Cc1cc(Br)c(/N=C2/N[C@@]3(CCC[C@@H](C)C3)CS2)c(Br)c1,C53098462_decoy,GCR,Decoy,0,-10.8236,-8.15,-0.74,-7.600109116659749
Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(I)cn1,C01231827_decoy,GCR,Decoy,0,-9.66223,-2.75,-0.65,-3.3389343974306662
O=C(Nc1ccc2c(c1)CCC2)c1cc(Cl)ccc1I,C33227946_decoy,GCR,Decoy,0,-9.45492,-9.01,-1.67,-8.313263040733116
Brc1ccc(CNc2ncc(Br)cc2Br)cc1,C59116500_decoy,GCR,Decoy,0,-9.69834,-6.23,-2.16,-6.336950846599318
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)Nc1ccccc1Br,C59270880_decoy,GCR,Decoy,0,-10.2043,-8.41,-0.54,-11.507749476298596
O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)c1ccccc1Br,C59922573_decoy,GCR,Decoy,0,-9.64271,18.36,-3.21,2.9872398519945302
C[C@H](O)Cc1ccc(-c2c(Br)cc(Br)cc2Br)o1,C62771289_decoy,GCR,Decoy,0,-10.6286,-7.69,-0.52,-14.83618850968258
Cc1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1C,C00424449_decoy,GCR,Decoy,0,-9.18728,-4.44,-0.99,-3.769781397024012
Cn1ncc(Br)c1C(=O)NC1CCC(C(C)(C)C)CC1,C02781075_decoy,GCR,Decoy,0,-8.65964,-3.03,-0.64,-3.90716778619524
Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc4ccccc34)C2=O)cc1,C03424733_decoy,GCR,Decoy,0,-8.34013,-5.6,-5.1,-4.49921448896722
Cc1cc2c(cc1C)[C@H](c1cc3c(cc1Br)OCO3)CC(=O)N2,C00717059_decoy,GCR,Decoy,0,-9.73829,-9.23,-0.17,-18.3183259628044
C[C@H]1CC[C@H]2[C@@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@](C)(CO)O2,C04143440_decoy,GCR,Decoy,0,-10.0925,-2.81,-2.53,-3.063749116927861
CCN1C(=O)c2cccc3c(NC(=O)c4ccc(F)c(F)c4)ccc1c23,C00947135_decoy,GCR,Decoy,0,-9.95962,-2.49,-2.13,-3.7093143130619057
O=C(Nc1c(Cl)cccc1Cl)N1CCS[C@@H]1c1ccco1,C04605745_decoy,GCR,Decoy,0,-8.88775,-8.01,-0.75,-8.298456027249319
O=C(/C=C/c1ccco1)Nc1nc2ccc(Br)cc2s1,C00433946_decoy,GCR,Decoy,0,-8.88559,-4.26,-6.06,-4.566445234058901
N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(F)c1,C04842491_decoy,GCR,Decoy,0,-9.22469,8.29,-0.26,-0.3036639986338133
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccc(Br)c1,C05568494_decoy,GCR,Decoy,0,-8.40997,-8.44,-0.68,-7.539526762093271
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3Cl)CC2=O)cc1,C03432917_decoy,GCR,Decoy,0,-8.62306,-8.17,-1.82,-6.802221618758571
O=C(Nc1ccc(F)c(Cl)c1)c1noc2c1CCc1sccc1-2,C06915941_decoy,GCR,Decoy,0,-9.4703,-6.87,-4.47,-6.408412153404355
O=C(Nc1cccc2cccnc12)c1ccc2c(c1)C(=O)c1ccccc1-2,C10502068_decoy,GCR,Decoy,0,-9.61355,-2.49,-2.44,-3.664201601187202
N#Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1,C11649263_decoy,GCR,Decoy,0,-9.18148,-3.43,-0.05,-3.923113573957568
O=C1CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2N1,C12080489_decoy,GCR,Decoy,0,-8.79654,-9.19,-2.48,-9.006385765166943
Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C(=O)C3CCCC3)CC1)O2,C12241582_decoy,GCR,Decoy,0,-10.1851,-2.49,-1.33,-3.513177971363103
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1,C12412742_decoy,GCR,Decoy,0,-9.7912,-3.92,-1.73,-3.8273031568662415
C/C(=N\NC(=O)c1ccccc1Br)c1ccc(C#N)cc1,C12566126_decoy,GCR,Decoy,0,-8.14976,-5.22,-0.86,-4.473694565611536
Cc1cccnc1NC(=O)c1oc2ccc(Br)cc2c1C,C06821262_decoy,GCR,Decoy,0,-9.27841,-8.28,-0.29,-7.273763866556062
Cc1ccc2c(CSC3=N[C@H]4CCCC[C@H]4N3)cc(=O)oc2c1C,C14182586_decoy,GCR,Decoy,0,-10.1949,-3.72,-2.76,-4.010493963517258
C[C@@H]1CCc2nc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)sc2C1,C15612242_decoy,GCR,Decoy,0,-10.8462,-4.3,-7.21,-4.39320579769246
O=c1c2c3c(sc2nc(S)n1-c1cc(Cl)ccc1O)CCC3,C17072812_decoy,GCR,Decoy,0,-9.98854,-4.92,-4.17,-4.128535747852505
Cc1ccc([C@@]2(O)CCN(C(=O)c3cc4cc(Cl)ccc4nc3C)C2)cc1,C19718660_decoy,GCR,Decoy,0,-9.41515,-4.26,-0.89,-4.019819361940783
Cc1cc2nc(CC(=O)c3cccc4ccccc34)c(=O)[nH]c2cc1C,C00408308_decoy,GCR,Decoy,0,-9.53442,-8.63,-1.79,-8.04450864190022
Cc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c(Br)c1,C20356960_decoy,GCR,Decoy,0,-8.65484,-8.48,-5.52,-7.698422225103787
Cc1cc2nc(CC(=O)c3ccc4ccccc4c3)c(=O)[nH]c2cc1C,C08655350_decoy,GCR,Decoy,0,-9.46086,-3.01,-0.55,-3.2303580974240904
O=C(Nc1ccc(Br)cc1F)c1noc2c1CCCCC2,C36356876_decoy,GCR,Decoy,0,-8.97137,-8.15,-0.47,-8.437519551283689
CO[C@@H]1CCCC[C@H]1Nc1cc2c(cc1Br)OCCO2,C37414861_decoy,GCR,Decoy,0,-8.44109,-7.56,-0.14,-8.240640062412757
O=C(/N=C1/NCCS1)c1cc(-c2ccc(F)cc2)nc2ccccc12,C06476465_decoy,GCR,Decoy,0,-9.33786,-3.43,-2.18,-3.8363548946200408
Cc1nc2c(ccc3nc(NC(=O)c4ccc(F)cc4F)sc32)s1,C38479012_decoy,GCR,Decoy,0,-9.59954,-3.07,-0.73,-3.923084140529581
O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(Cl)s1,C39188004_decoy,GCR,Decoy,0,-9.9865,-3.3,-1.24,-3.869762230175543
O=C(/C=C/c1ccco1)Nc1ccnc2ccc(Br)cc12,C41057939_decoy,GCR,Decoy,0,-8.88551,-3.94,-1.37,-4.345798835125303
Cc1ccc2c(NC(=O)c3ccc(Br)o3)ccnc2c1C,C41057977_decoy,GCR,Decoy,0,-9.12464,-4.65,-0.78,-5.520223120803008
Cc1ccc(S(=O)(=O)OC2[C@H]3C=C[C@@H]4C(O)[C@@H]5C=C[C@@H]2[C@@H]5[C@@H]43)cc1,C43762468_decoy,GCR,Decoy,0,-9.13171,-9.31,-4.19,-5.54254499861944
O=C([C@H]1CCCc2ccccc21)N1CCC[C@H](c2nc3ccccc3[nH]2)C1,C44368964_decoy,GCR,Decoy,0,-9.60202,-4.04,-0.94,-4.2033041848730095
O=C(Nc1ccccc1N1CCCC1)N1CCC[C@@H]1c1ccsc1,C45975772_decoy,GCR,Decoy,0,-9.74451,-3.87,-1.46,-4.580642496434886
O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(Cl)ccc1F,C46698105_decoy,GCR,Decoy,0,-9.38726,-8.82,-4.55,-7.434995583584346
Cc1ccc(/C=C2/C[NH+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1,C48417816_decoy,GCR,Decoy,0,-9.10478,-4.0,-1.82,-3.742438573735848
Cc1ccc(C)c(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1,C53057626_decoy,GCR,Decoy,0,-9.23324,-1.73,-5.9,-3.330133908808456
N#C[C@H](C(=O)Nc1cccc2ccccc12)c1nc2ccccc2s1,C58293368_decoy,GCR,Decoy,0,-9.55665,-7.12,-1.5,-9.954852185073683
N#C/C(=C/C1=Cc2cc(Cl)ccc2OC1)C(=O)NC1CCCCC1,C58481212_decoy,GCR,Decoy,0,-8.90985,-4.88,-4.26,-4.593140070452665
Cc1ccc(-c2cc(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)n[nH]2)s1,C58917298_decoy,GCR,Decoy,0,-9.44312,-2.71,-1.83,-3.7439488233872575
O=C1[C@H]2CC=CC[C@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl,C13396745_decoy1,GCR,Decoy,0,-9.39919,-8.12,,-8.256764156623191
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl,C13396745_decoy2,GCR,Decoy,0,-9.6235,-5.48,,99.0
Cc1ccsc1[C@@H]1CC(=O)NC2=NN=C(c3ccc(Cl)cc3)[C@@H]21,C05885796_decoy,GCR,Decoy,0,-9.08013,-5.84,-1.63,-4.498743893825076
OC1=Nc2nc(N3CCCCC3)sc2[C@H](c2ccc(F)c(F)c2)C1,C36357592_decoy,GCR,Decoy,0,-10.0911,14.47,-4.27,1.6641369379888968
O=S(=O)(N[C@@H]1COc2ccccc2C1)c1ccc2c(c1)CCCC2,C65330203_decoy,GCR,Decoy,0,-8.91329,-6.16,-1.43,-4.805905391324355
Cc1cc(N2CCSCC2)ccc1NC(=O)N1C[C@H](C)C[C@H](C)C1,C65378458_decoy,GCR,Decoy,0,-10.497,-9.75,-0.77,-17.002653962719105
C[C@@H]1CN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC(C)(C)O1,C65611057_decoy,GCR,Decoy,0,-8.80911,-4.16,-0.3,-4.020172849478652
CC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1,C08117951_decoy,GCR,Decoy,0,-8.40052,11.21,-0.56,1.0613515366472577
Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21,C04450144_decoy,GCR,Decoy,0,-9.30791,-8.41,-0.09,-8.486767760830991
CCc1cc(I)ccc1NC(=O)C(C)C,C00342353_decoy,GCR,Decoy,0,-7.29104,-6.11,-3.65,-6.833518195158024
O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]2CC[C@@H]1C2,C06329190_decoy,GCR,Decoy,0,-7.33683,-4.58,-0.9,-3.903247907867418
O=C(N[C@H]1C[C@@H]2CC[C@H]1C2)c1ccc(I)cc1,C02879072_decoy,GCR,Decoy,0,-8.19472,-3.77,-0.61,-3.63302440692626
O=C(Nc1ccc(F)c(F)c1F)c1cc(F)c(F)c(F)c1F,C02648950_decoy,GCR,Decoy,0,-7.88889,-8.79,-0.96,-9.696954831128076
O=C1CCCC/C1=C\Nc1ccc(Br)c(Cl)c1,C16385318_decoy,GCR,Decoy,0,-8.57655,-7.32,-0.85,-9.359054932561374
OCC#CCSc1nc(-c2ccc(Br)cc2)cs1,C17083527_decoy,GCR,Decoy,0,-10.6659,-6.9,-0.73,-6.948267240337092
Fc1ccc(Br)cc1CNc1cccc2cccnc12,C19903604_decoy,GCR,Decoy,0,-8.27241,-6.99,-1.15,-7.43345290231885
Cc1ccc(C(=O)Nc2ccc(F)cc2Br)s1,C20430225_decoy,GCR,Decoy,0,-8.37658,-7.48,-0.31,-6.921431982676792
CCc1cc(C(=O)Nc2ccc(Br)cc2F)cs1,C20607056_decoy,GCR,Decoy,0,-8.69312,-3.18,-0.88,-3.4985618846195514
S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1,C26424383_decoy,GCR,Decoy,0,-8.24969,-3.16,-0.48,-3.3088631019446293
CC1CCC(NC(=O)c2ccc(C3SCCCS3)cc2)CC1,C08919388_decoy,GCR,Decoy,0,-11.1991,-4.23,-6.37,-4.897708428591626
Fc1ccc(Br)cc1NCc1ccc2ccccc2n1,C36752025_decoy,GCR,Decoy,0,-8.22694,-3.63,-0.89,-3.63826052126167
Cc1nc([C@@H](C)Nc2c(F)cc(F)cc2Br)cs1,C36915569_decoy,GCR,Decoy,0,-8.26384,-6.94,-0.87,-7.003534757114092
Brc1ccc(CNc2cnc3ccccc3c2)s1,C36989953_decoy,GCR,Decoy,0,-9.33419,-7.63,-2.35,-7.656465219836322
Fc1ccc(CNc2cnc3ccccc3c2)cc1Br,C36989993_decoy,GCR,Decoy,0,-8.84935,-7.9,-0.78,-6.8239066779521504
Cc1ccc(N[C@@H](C)c2ccncc2)cc1I,C37056040_decoy,GCR,Decoy,0,-7.6289,-2.6,-4.34,-3.0569506362897605
Fc1cccc(F)c1NCc1ccc(I)o1,C37247146_decoy,GCR,Decoy,0,-7.17,-5.99,-1.77,-5.734715547755212
C[C@@H](Nc1cccnc1Cl)c1sccc1Br,C37283747_decoy,GCR,Decoy,0,-8.87526,-6.23,-1.32,-6.099816902300172
Cc1cc([C@@H](C)Nc2c(F)cc(F)cc2Br)c(C)o1,C37392600_decoy,GCR,Decoy,0,-7.98887,-7.65,-0.87,-9.60081556472071
O[C@@H](Cc1ccc(Br)cc1)c1cnc2ccccc2c1,C37761630_decoy,GCR,Decoy,0,-9.22762,-8.34,-0.47,-8.10691648354572
Fc1ccc(Br)cc1NCc1nc2ccccc2s1,C38090432_decoy,GCR,Decoy,0,-8.20874,-7.73,-0.61,-6.5196511246581546
CS[C@@H]1CC[C@]2(C[C@H](Br)CN2c2ccccc2O)C1,C39503654_decoy,GCR,Decoy,0,-9.32295,-3.23,-0.7,-3.5308107442196364
O[C@@H](c1ccco1)c1cc(Br)sc1Br,C40261189_decoy,GCR,Decoy,0,-8.65319,-5.78,-3.14,-6.097811836933983
Cc1cccc([C@H](Br)c2ccc3c(c2)CC(=O)N3)c1C,C40283794_decoy,GCR,Decoy,0,-8.6084,-8.18,-1.51,-7.062700494837599
O=C1Cc2cc([C@H](Br)c3ccccc3)c(Cl)cc2N1,C40289537_decoy,GCR,Decoy,0,-8.08522,-8.39,-0.56,-7.766518669269144
O=C(NCc1cc(Br)ccc1F)[C@@H]1C[C@@H]2C=C[C@H]1C2,C41064966_decoy,GCR,Decoy,0,-9.35847,-3.95,-1.06,-4.142120237685891
Brc1ccc(NC[C@@H]2CCCO2)c(Br)c1,C42221256_decoy,GCR,Decoy,0,-8.4978,-2.94,-3.39,-3.462340568200142
Brc1ccc(Br)c(NC[C@@H]2CCCO2)c1,C42578364_decoy,GCR,Decoy,0,-8.38228,-7.16,-1.54,-7.252340655885613
CCc1ccc([C@@H](Br)c2ccc3c(c2)CC(=O)N3)s1,C43640493_decoy,GCR,Decoy,0,-9.32931,-8.13,-0.45,-12.608271923404669
OCC#Cc1ccsc1COc1cc(Cl)ccc1Cl,C43682462_decoy,GCR,Decoy,0,-9.79842,-7.27,-1.46,-6.84643283660531
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(F)c(F)c1,C45998701_decoy,GCR,Decoy,0,-8.35449,-3.61,-0.68,-3.700054329835868
C[C@H](NC(=O)c1sccc1Br)c1ccccc1F,C47723741_decoy,GCR,Decoy,0,-8.88736,-7.83,-3.23,-7.6385077779168
Fc1ccc2c(c1)[nH]c(=S)n2Cc1ccc(Br)cc1,C48115234_decoy,GCR,Decoy,0,-8.15378,-7.01,-0.66,-6.439146548349153
Cc1cc(Br)cc(C)c1NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2,C48506188_decoy,GCR,Decoy,0,-9.0014,-5.22,-1.23,-5.175739802290894
O=C(C=C1CCCCC1)NCc1cc(F)cc(Br)c1,C48941746_decoy,GCR,Decoy,0,-8.58808,-8.49,-1.59,-8.178807680866486
C[C@H](Nc1ncccc1Br)c1ccc(Cl)cc1,C49526008_decoy,GCR,Decoy,0,-8.3902,-6.83,-3.62,-6.296482833043431
Cc1ccc(C#N)c(NCc2ccc(Br)s2)c1,C51579356_decoy,GCR,Decoy,0,-8.71073,-3.63,-1.24,-3.6565227406085
Cc1cc(I)ccc1NCC1CCOCC1,C52177514_decoy,GCR,Decoy,0,-8.31657,-6.13,-0.39,-7.216530722212679
Fc1ccc(CCn2c(=S)[nH]c3ccc(F)c(F)c32)cc1,C53168630_decoy,GCR,Decoy,0,-8.5808,-8.79,-2.73,-7.662464431205957
CC[C@@H](O)c1ccc(-c2cccc(I)c2)o1,C54107469_decoy,GCR,Decoy,0,-8.24103,-3.32,-1.11,-3.4505243302818327
O=C(NCC(F)(F)F)C1C[C@H]2CCC[C@@H](C1)C21SCCS1,C05975918_decoy,GCR,Decoy,0,-8.64176,-8.22,-0.54,-7.842109158805216
O[C@@H](c1ccc2ncccc2c1)c1ccc(Br)s1,C61417359_decoy,GCR,Decoy,0,-8.53621,-4.82,-0.72,-3.99217265313181
CN(C)c1ccc(Br)cc1N[C@@H]1CCCSC1,C61587955_decoy,GCR,Decoy,0,-8.51955,-6.07,-1.0,-6.920028653957565
Cc1ccc2cccc(NCc3ccc(Br)s3)c2n1,C61874916_decoy,GCR,Decoy,0,-8.61157,-7.37,-0.67,-7.771808532585153
O[C@@H](Cc1ccc(Br)cc1)c1ccc(Br)o1,C62139008_decoy,GCR,Decoy,0,-9.62841,-6.31,-0.83,-7.1756068271537
C[C@H](O)Cc1ccc(-c2ccc(I)cc2)o1,C62771297_decoy,GCR,Decoy,0,-7.59984,-7.79,-0.81,-6.328057842905344
Brc1ccc([C@@H](Br)c2ccn[nH]2)cc1,C62779219_decoy,GCR,Decoy,0,-7.97617,-6.43,-0.88,-5.176961703775849
O[C@@H](Cc1sccc1Br)c1cc2ccccc2o1,C62797440_decoy,GCR,Decoy,0,-8.46514,-7.51,-0.93,-7.276465962194855
CC(C)CNC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2,C26522858_decoy,GCR,Decoy,0,-8.84189,-7.29,-1.36,-7.599865757624004
C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840623_decoy,GCR,Decoy,0,-12.2019,-2.71,-1.51,-4.656948034390977
C[C@H](C(=O)N1CCCC1)[C@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840624_decoy,GCR,Decoy,0,-12.5925,-11.68,-3.35,-10.524776194028991
Cc1ccc2nc(-c3ccc(NC(=O)c4cncc(Br)c4)cc3)sc2c1,C02648723_decoy,GCR,Decoy,0,-11.066,-5.01,-0.56,-5.2434746572671305
O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cc(Cl)ccc1Cl,C00888487_decoy,GCR,Decoy,0,-10.584,-5.7,-2.98,-7.768071404756976
Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c2c3c(sc2n1)CCC3,C00628494_decoy,GCR,Decoy,0,-10.711,-4.16,-1.83,-4.825663100827681
C[C@H]1C[C@@H](Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1,C01636386_decoy,GCR,Decoy,0,-9.84616,-9.38,-0.75,-9.165416849488508
O=C1/C(=C/c2ccc(Br)cc2)N=C(c2cccs2)N1Nc1ccccc1,C08387478_decoy,GCR,Decoy,0,-10.0414,3.6,-12.86,-3.685084154954709
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2cccs2)N1Nc1ccccc1,C00709066_decoy,GCR,Decoy,0,-11.4276,11.86,-4.57,0.2231007764368546
O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccccc1Br,C09288112_decoy,GCR,Decoy,0,-9.92242,-4.28,-1.75,-5.151173270271611
O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1,C09295426_decoy,GCR,Decoy,0,-12.1079,-3.99,-5.79,-4.624258462976121
Cc1c(Cl)cn2c(=O)cc(CNc3ccc(I)cc3)nc2c1Cl,C09562259_decoy,GCR,Decoy,0,-10.5345,-7.67,-3.84,-7.300014364384661
O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccc(F)cc2F)n1,C02956237_decoy,GCR,Decoy,0,-11.4792,-9.99,-1.69,-10.14848315088819
O=C(Nc1cccc2ccccc12)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1,C10045865_decoy,GCR,Decoy,0,-9.66603,-6.71,-5.35,-5.426417625824852
O=C(Nc1ccc(F)c(Cl)c1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1,C10045871_decoy,GCR,Decoy,0,-10.4802,-3.52,-2.97,-4.182564019703241
O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc(O)c12,C11865695_decoy,GCR,Decoy,0,-10.125,1.59,-4.77,-2.906691498837706
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(I)cc1,C00629389_decoy,GCR,Decoy,0,-10.6615,-2.91,-0.67,-4.364681712828472
CC[NH+]1C/C(=C/c2ccc(-c3ccccc3)s2)c2nc3ccccc3c(C(=O)[O-])c2C1,C13066633_decoy,GCR,Decoy,0,-6.43215,-2.03,-3.27,-2.277513968999654
Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1cc(F)cc(F)c1,C14163697_decoy,GCR,Decoy,0,-6.44996,-3.41,-3.23,-2.813107845966656
Cc1nn2c(c1-c1ccc(Cl)cc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1cc(F)cc(F)c1,C14163705_decoy,GCR,Decoy,0,-5.50937,-2.72,-3.32,-2.1316186167661133
COc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)cc2ccccc2c1Br,C14273255_decoy,GCR,Decoy,0,-10.6529,-2.89,-1.37,-4.462340136629307
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2)N1CCCCC1,C14475179_decoy,GCR,Decoy,0,-11.5029,-3.98,-2.04,-4.740419030568232
O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cccc2ncccc12,C15760329_decoy,GCR,Decoy,0,-10.6426,-9.86,,99.0
CC1=C(C(=O)N(C)C)[C@H](c2cc(Br)cs2)NC(=S)N1c1ccc(C)cc1,C16055073_decoy,GCR,Decoy,0,-10.1204,-2.54,-2.18,-4.143344765048044
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CNc1ccc(Br)cc1,C16809146_decoy,GCR,Decoy,0,-11.2341,-5.13,-1.73,-5.060101389406932
Oc1ccc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1,C19682324_decoy,GCR,Decoy,0,-10.8608,-4.59,-2.59,-6.861927688419942
O=C1C2=C(NC3=C(C(=O)c4ccccc43)C23C(=O)c2cccc4cccc3c24)c2ccccc21,C19795177_decoy,GCR,Decoy,0,-5.86409,-4.66,-1.34,-2.0561050054484427
O=C(Nc1ccc(Cl)c(Cl)c1)N(C1=NCCS1)c1ccc(Br)cc1,C22079378_decoy,GCR,Decoy,0,-10.492,-5.48,-4.2,-5.656278410777807
CC1=C(C(=O)N(C)C)[C@@H](c2cc(Br)ccc2F)NC(=S)N1c1ccccc1,C22304162_decoy,GCR,Decoy,0,-10.7502,-5.46,-3.4,-5.291536182662688
O=C(/C=C/c1cc(Br)ccc1F)Nc1cc2c(cc1Br)OCCO2,C24945827_decoy,GCR,Decoy,0,-10.4606,-6.71,-0.87,-6.333812810005756
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc2cc(Br)ccc2oc1=O,C27520326_decoy,GCR,Decoy,0,-9.77737,-5.07,-3.88,-4.603505913140458
O=C1C(Nc2cccc(I)c2)=C(N2CCCC2)C(=O)c2ccccc21,C27548827_decoy,GCR,Decoy,0,-9.86214,-4.5,-2.06,-4.431526141613604
Cc1ccc2cc(-c3nc(-c4ccc([S@@+](C)[O-])cc4)[nH]c3-c3ccncc3)ccc2c1,C28823973_decoy,GCR,Decoy,0,-10.4906,-5.0,-5.48,-4.786639285413032
Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(I)cc3)C2=O)cc1C,C33569616_decoy,GCR,Decoy,0,-9.3387,-8.7,-0.32,-7.487269038262266
Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3I)C2=O)cc1C,C33569622_decoy,GCR,Decoy,0,-9.25048,-4.44,-2.01,-4.412744876983369
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Br)c2ccccc12,C08440470_decoy,GCR,Decoy,0,-9.96967,-3.06,-4.59,-3.635708178310832
O=C1OC(c2cccc3ccccc23)=N/C1=C\Nc1ccc(Br)cc1Br,C02946853_decoy,GCR,Decoy,0,-11.8932,-9.57,-1.2,-8.049157990423206
O=C1CC=C([C@H]2Nc3cc(Cl)c(Cl)cc3N2Cc2ccc(Cl)c(Cl)c2)C=N1,C39314785_decoy,GCR,Decoy,0,-11.5234,-4.61,-0.79,-5.105004425241127
Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1sc2c(c1C#N)CCCC2,C39794300_decoy,GCR,Decoy,0,-11.9273,-4.59,-6.06,-4.971019125650101
O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(Br)cc2)N1C1CCCCC1,C40338553_decoy,GCR,Decoy,0,-8.03441,15.49,-1.42,2.4397553578692106
CC(C)c1cs/c(=N\S(=O)(=O)c2cc(Br)ccc2Br)[nH]1,C42306135_decoy,GCR,Decoy,0,-10.0019,-8.03,-3.42,-9.511676263234548
C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C43549124_decoy,GCR,Decoy,0,-11.4881,-2.08,-2.05,-4.344740790631054
O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc(Cl)ccc1Cl,C45458667_decoy,GCR,Decoy,0,-10.4709,-8.4,-3.78,-10.09547188042586
O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(Cl)ccc1I,C46743210_decoy,GCR,Decoy,0,-10.5239,-9.6,-0.78,-8.68063797299887
CN(Cc1csc(Br)c1)C(=O)NCc1csc(Br)c1,C49471488_decoy,GCR,Decoy,0,-9.13414,-6.13,-0.65,-6.803154627431463
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Br)cc1F,C51364536_decoy,GCR,Decoy,0,-9.43054,-4.53,-2.27,-4.42685446971761
N#C/C(=C\c1ccc(O)c(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl,C21190388_decoy,GCR,Decoy,0,-9.62962,-8.53,-2.23,-7.812549519786798
Cc1ccc(N/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c(Br)c1,C01513808_decoy,GCR,Decoy,0,-11.2802,-8.44,-1.47,-9.197297694064526
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1nc2ccccc2s1,C59056363_decoy,GCR,Decoy,0,-9.67367,9.27,-2.36,-0.1316751955274051
Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1,C64798556_decoy,GCR,Decoy,0,-10.9775,13.35,-5.07,0.3130926149853199
Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)c(Br)c2)c1,C64799426_decoy,GCR,Decoy,0,-11.2317,-3.77,-1.34,-4.468820086904043
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I,C01207517_decoy,GCR,Decoy,0,-10.3656,-2.81,-4.25,-3.6476380739630345
CNC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1,C01888679_decoy,GCR,Decoy,0,-8.87053,-2.78,-5.44,-3.874570306218598
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Br)o3)C2=O)c1C,C09136410_decoy,GCR,Decoy,0,-9.82031,-2.68,-3.03,-3.4621618166263866
O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1,C09233853_decoy,GCR,Decoy,0,-11.1394,-9.83,-0.32,-8.79482334943319
COc1c(Cl)cc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O,C09295813_decoy,GCR,Decoy,0,-11.0844,-1.86,-1.09,-3.772299144786138
O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,C09559506_decoy,GCR,Decoy,0,-11.5667,-4.4,-0.97,-4.994060639294928
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1,C09899960_decoy,GCR,Decoy,0,-9.46482,-5.55,-3.52,-5.005394831625691
CC1(C)CS(=O)(=O)N(c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)C1=O,C12004610_decoy,GCR,Decoy,0,-10.926,-3.04,-3.36,-4.481382918037979
CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccccc3Br)c2)C1=O,C12005720_decoy,GCR,Decoy,0,-10.5362,-2.42,-3.66,-3.986915194925829
Cc1cc(NS(=O)(=O)c2cc(Br)ccc2Br)ccc1N1CCCC1=O,C12583542_decoy,GCR,Decoy,0,-10.3848,-8.28,-1.79,-8.230482828326913
O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1,C12508215_decoy,GCR,Decoy,0,-10.0808,-5.97,-1.7,-5.767611991406451
CC(=O)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12,C08964740_decoy,GCR,Decoy,0,-10.6873,27.23,-2.2,5.600030030955572
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(=O)N5CCOCC5)cccc4[C@H]4C=CC[C@@H]43)ccc21,C13642725_decoy,GCR,Decoy,0,-9.68413,-4.64,-4.6,-4.607730888606801
Cc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1,C15045938_decoy,GCR,Decoy,0,-9.80112,-9.05,-1.37,-13.261063281152651
C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,C15046305_decoy,GCR,Decoy,0,-10.2791,-4.4,-0.69,-4.937898699329846
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccccc2F)cc1,C15834144_decoy,GCR,Decoy,0,-5.08565,-3.84,-4.43,-2.204123158161149
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccccc2F)c1,C15834253_decoy,GCR,Decoy,0,-5.8517,-2.73,-3.97,-2.39000854020245
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1Cl,C02395100_decoy,GCR,Decoy,0,-11.8908,-3.52,-3.97,-4.621735520126877
Cc1cc([O-])c(C[NH+]2CCN(C)CC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2,C20647197_decoy,GCR,Decoy,0,-8.20185,-2.15,-2.72,-3.0165565147662385
CCc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc3c(cc2Br)OCO3)cc1,C21249312_decoy,GCR,Decoy,0,-10.7205,-2.72,-3.07,-3.8469723787891126
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(Br)cc3)sc2c1,C21660602_decoy,GCR,Decoy,0,-12.1389,1.92,-0.74,-3.371390815671625
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3c(C)sc4ccccc34)sc2c1,C21661123_decoy,GCR,Decoy,0,-10.6904,-3.4,-0.73,-4.585771853527954
COc1c(O)cc(Br)c(Br)c1/C=N/c1ccc2c(c1)n(C)c(=O)n2C,C32099621_decoy,GCR,Decoy,0,-10.7091,-3.28,-2.58,-4.442751264828502
O=C(Nc1nc(-c2ccc(I)o2)ns1)c1ccc(Br)o1,C32594193_decoy,GCR,Decoy,0,-10.6597,-3.91,-1.39,-4.61725131870804
O=C(c1ccc(-c2ccc3c(c2)CCN3C(=O)Nc2ccccc2Cl)cc1)N1CCOCC1,C32978055_decoy,GCR,Decoy,0,-9.96627,-3.18,-0.71,-4.654182825808826
Cc1c(Cl)cccc1NC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21,C33128482_decoy,GCR,Decoy,0,-10.9077,-4.26,-3.83,-5.155777791263198
O=C(Nc1ccc(Cl)cc1)N1CCc2c(sc3ncn(Cc4ccccc4F)c(=O)c23)C1,C35498332_decoy,GCR,Decoy,0,-7.99863,-1.79,-0.74,-2.9882742375181395
CS[C@H]1CC(=O)c2c(c3nc4cccc(Cl)c4cc3c(=O)n2I)N1,C39453225_decoy,GCR,Decoy,0,-11.2052,-4.61,-2.93,-4.300051386060683
Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2,C40813594_decoy,GCR,Decoy,0,-10.832,-5.27,-2.89,-5.439050311635666
COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O,C40940642_decoy,GCR,Decoy,0,-10.5051,-1.99,-4.75,-3.7598154156361336
[H]/N=C1C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)/C(=O)N=C2SC(c3ccccc3)=NN2/1,C33851693_decoy,GCR,Decoy,0,-11.2304,-2.32,-1.08,-4.200025865407749
O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12,C43729694_decoy,GCR,Decoy,0,-11.8737,-4.75,-1.95,-5.171581806761518
CCS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2I)cc1,C45732223_decoy,GCR,Decoy,0,-10.4435,-4.37,-1.79,-4.845782461322945
[H]/N=C1C(=C\c2cc(C)n(-c3ccc(Cl)cc3C)c2C)/C(=O)N=C2SC(c3ccccc3F)=NN2/1,C09293318_decoy,GCR,Decoy,0,-11.0638,-3.12,-4.22,-3.770659971903192
[H]/N=C1C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)/C(=O)N=C2SC(c3ccc(C)cc3)=NN2/1,C04090341_decoy,GCR,Decoy,0,-9.13962,-3.04,-3.01,-3.786880873919904
[H]/N=C1C(=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)/C(=O)N=C2SC(C3CCCCC3)=NN2/1,C41076345_decoy,GCR,Decoy,0,-6.95724,0.98,-2.49,-1.6981640232160922
[H]/N=C1C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)/C(=O)N=C2SC(C3CCCCC3)=NN2/1,C41076348_decoy,GCR,Decoy,0,-12.8589,-2.6,-2.33,-4.532726301751477
[H]/N=C1C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)/C(=O)N=C2SC(c3ccccc3)=NN2/1,C09308946_decoy,GCR,Decoy,0,-11.4665,-3.85,-4.25,-4.436162837301882
CN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(Cl)c(Cl)c1,C58946086_decoy,GCR,Decoy,0,-10.8135,-4.23,-1.14,-5.071543472119681
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@H]1c1nc2ccccc2s1,C59368196_decoy,GCR,Decoy,0,-11.8089,-3.04,-0.77,-6.387007144123523
N#CC(C#N)C(c1cc(I)cc(I)c1O)C(C#N)C#N,C59465103_decoy,GCR,Decoy,0,-9.36959,-6.8,-2.19,-8.299502293955912
Cc1cc(Br)c(Cl)cc1NC(=O)CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]2C1=O,C13941525_decoy,GCR,Decoy,0,-9.67241,-4.65,-1.58,-2.0555177023355804
[H]/N=C1C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)/C(=O)N=C2SC(C3CCCCC3)=NN2/1,C09191811_decoy,GCR,Decoy,0,-11.8861,-2.87,-1.75,-4.445085958620087
[H]/N=C1C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)/C(=O)N=C2SC(c3ccccc3C)=NN2/1,C09281362_decoy,GCR,Decoy,0,-10.3512,-3.21,-1.45,-3.81811907438613
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2CCCN21,C15997093_decoy,GCR,Decoy,0,-4.96014,-2.2,-1.82,-1.7769726100947931
[H]/N=C1C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)/C(=O)N=C2SC(c3cccc(C)c3)=NN2/1,C34762592_decoy,GCR,Decoy,0,-12.2284,-4.31,-4.97,-4.793792743207168
O=c1c(-c2ccc(Cl)cc2)coc2c(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)ccc12,C41584811_decoy,GCR,Decoy,0,-10.0382,-4.27,-4.68,-4.148035256771699
Cc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4F)NN(C(=O)c4cccc(Br)c4)[C@@H]3C2=O)c1,C09673424_decoy,GCR,Decoy,0,-5.46683,-3.28,-3.86,-2.4195669343717907
O=C1N=C(CS[C@H]2NN(c3ccc(Cl)c(Cl)c3)C(=S)S2)N=C2C=CS[C@@H]12,C63908350_decoy,GCR,Decoy,0,-11.9647,-8.3,-1.04,-13.194917835337511
O=C1[C@@H]2[C@H](/C=C/c3ccco3)c3sc(=O)[nH]c3S[C@H]2C(=O)N1c1ccc(Br)cc1,C16711907_decoy,GCR,Decoy,0,-12.5968,-3.72,-4.05,-4.890205414489714
CN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1Br,C00822703_decoy,GCR,Decoy,0,-11.0241,31.29,-3.87,6.1297051700384415
C=CCN1C(=O)N/C(=C/c2cc(I)c(OC)c(I)c2)C1=O,C08430199_decoy,GCR,Decoy,0,-9.8499,-6.95,-1.9,-7.443747928846334
Cc1ccc(-n2nc3c(c2NC(=O)[C@H]2CC(=O)N(c4ccc(C)c(C)c4)C2)CSC3)c(C)c1,C08910065_decoy,GCR,Decoy,0,-5.8157,-3.68,-2.44,-2.927512321895899
O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1cc(Br)c(O)c(Br)c1)[C@H]1C=C[C@@H]2C12CC2,C09028387_decoy,GCR,Decoy,0,-10.4027,-5.35,-1.35,-4.80174763338566
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C#N)cc1,C09262940_decoy,GCR,Decoy,0,-10.491,-7.32,-7.44,-6.883047273845116
O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cc2cc(Br)ccc2oc1=O,C09403947_decoy,GCR,Decoy,0,-11.6216,-4.22,-2.17,-5.064999925578629
O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)[C@H]1CCCN1S(=O)(=O)c1cccs1,C09506052_decoy,GCR,Decoy,0,-9.59949,-4.11,-0.76,-4.384529452528446
O=C1C(=Cc2ccc(O)c(Br)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1,C09891791_decoy,GCR,Decoy,0,-7.12617,-4.72,-5.23,-3.1222232591492523
Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1Br,C12004614_decoy,GCR,Decoy,0,-10.8325,-5.15,-1.78,-5.561748604884395
C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccccc1Br,C12607091_decoy,GCR,Decoy,0,-11.4715,-4.69,-1.91,-5.394384838849416
C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccc(Cl)c(Cl)c1,C12516006_decoy,GCR,Decoy,0,-12.1938,-6.13,-6.43,-5.580098944159065
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1,C02234763_decoy,GCR,Decoy,0,-11.4989,-3.84,-4.01,-5.04474059841949
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1,C13571082_decoy,GCR,Decoy,0,-12.6561,-3.32,-2.24,-4.56016757599987
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1,C13785715_decoy,GCR,Decoy,0,-12.0564,-3.3,-1.16,-4.990846490641639
C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Br)ccc21,C13898036_decoy,GCR,Decoy,0,-10.3002,-4.45,-2.74,-4.851613796207334
O=C(Nc1ccc(Br)cc1Cl)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,C14785179_decoy,GCR,Decoy,0,-9.63598,-4.06,-2.99,-4.259974740998996
Cc1cc(Br)c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(Br)c1,C15572318_decoy,GCR,Decoy,0,-10.8739,-4.08,-0.86,-4.7609349566759365
O=C1[C@H](Cl)[C@@H](c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O,C01632111_decoy,GCR,Decoy,0,-11.6312,-5.25,-1.79,-4.8141232945959205
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)cc1,C17250651_decoy,GCR,Decoy,0,-11.1717,-4.18,-4.57,-4.463606646957366
CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(I)cc1,C20220310_decoy,GCR,Decoy,0,-10.185,-4.33,-4.83,-4.439244272075498
O=S(=O)(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Br)cc1,C20478755_decoy,GCR,Decoy,0,-10.3031,-8.37,-1.67,-8.390391920425115
Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)CC2=O)cc1C,C20576290_decoy,GCR,Decoy,0,-11.0907,-1.78,-5.55,-4.126586900373519
CCc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc3c(cc2Br)OCO3)cc1,C21249317_decoy,GCR,Decoy,0,-12.193,-3.65,-3.71,-4.621992858234417
Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(=O)n12,C21663173_decoy,GCR,Decoy,0,-10.405,-3.43,-4.26,-4.021730139416328
O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1,C23043340_decoy,GCR,Decoy,0,-4.23036,-5.52,-2.77,-2.704370644354948
O=C(Nc1nc2ccc(Cl)cc2s1)c1nn(-c2ccc(Br)cc2)ccc1=O,C27795220_decoy,GCR,Decoy,0,-12.638,-3.77,-4.87,-5.117792678804581
O=C(Nc1ccc(I)cc1)c1cn2c3c(cc(Br)cc3c1=O)CC2,C33088986_decoy,GCR,Decoy,0,-9.86806,-9.58,-2.64,-8.82033771972995
COC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc2c1CCCC2,C01934842_decoy,GCR,Decoy,0,-10.7289,-5.53,-1.49,-5.385221343487832
[H]/N=C1C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)/C(=O)N=C2SC(c3ccccc3Cl)=NN2/1,C33540505_decoy,GCR,Decoy,0,-8.28277,-4.42,-4.65,-3.60495983690572
Cc1ccc(-n2c(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)nc3ccccc3c2=O)cc1,C34856117_decoy,GCR,Decoy,0,-10.1387,-5.79,-5.21,-5.135951075678439
CC(=O)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C37237584_decoy,GCR,Decoy,0,-7.36248,-2.56,-0.79,-2.906593486423337
O=C1N=C2S[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccccc6)C(=O)[C@@H]45)[C@H]3[C@H](c3ccc(O)cc3)[C@H]2S1,C39357663_decoy,GCR,Decoy,0,-10.1369,-3.6,-2.23,-3.8370136215360353
O=C1C[C@@H](I)Nc2c1n(Cl)c(=O)c1cc3c(Cl)cccc3nc21,C39454331_decoy,GCR,Decoy,0,-10.2529,-5.64,-1.62,-3.217004321475234
CSc1c2c(nc3ccccc13)-c1c(c(O)c(C)n1S(=O)(=O)c1ccccc1)CCC2=O,C39456809_decoy,GCR,Decoy,0,-10.0467,-3.19,-2.76,-4.042914151397498
Cc1c(F)c2c(n1S(=O)(=O)c1ccccc1)-c1nccc(-c3ccccc3O)c1C(=O)CC2,C39457947_decoy,GCR,Decoy,0,-7.94751,-3.54,-1.7,-3.566042021473683
O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc(Br)cc2)N1CCO,C40021525_decoy,GCR,Decoy,0,-10.9388,-2.95,-2.6,-4.014221254992549
Cc1nc2nc(N3c4ccccc4C[C@@H]3C)[nH]c(=O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1,C40386939_decoy,GCR,Decoy,0,-11.9713,-5.33,-4.56,-4.873744584698654
[H]/N=C1C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)/C(=O)N=C2SC(c3cccs3)=NN2/1,C41077897_decoy,GCR,Decoy,0,-11.4066,-3.73,-1.99,-4.488434738681631
[H]/N=C1C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)/C(=O)N=C2SC(c3cccc(C)c3)=NN2/1,C02408818_decoy,GCR,Decoy,0,-11.1161,-3.15,-3.15,-4.285222987003133
O=C1[C@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)ccc2O)C(=O)N1c1ccccc1,C06147836_decoy,GCR,Decoy,0,-7.0655,-5.24,-2.82,-3.859252763730526
Cc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2[C@@H](c3cccnc3)c3sc(=O)[nH]c3S[C@H]42)cc1,C54652687_decoy,GCR,Decoy,0,-9.47412,-4.98,-3.12,-3.839124826909806
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(I)cc2)c1O,C16672009_decoy,GCR,Decoy,0,-11.513,-3.75,-2.99,-3.2408762793338703
[H]/N=C1C(=C/c2ccc(-c3ccc(C)cc3Br)o2)/C(=O)N=C2SC(c3ccccc3)=NN2/1,C30684143_decoy,GCR,Decoy,0,-11.2085,6.26,-4.27,-1.7157154516813138
[H]/N=C1C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)/C(=O)N=C2SC(c3ccccc3)=NN2/1,C09309317_decoy,GCR,Decoy,0,-11.9823,-2.89,-1.45,-4.7439025397121855
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCC[C@@H]1c1nc2ccccc2s1,C59368194_decoy,GCR,Decoy,0,-9.93015,-6.43,-8.82,-7.319292267314146
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c(Br)cc21,C59857923_decoy,GCR,Decoy,0,-9.62809,-4.04,-3.45,-4.006031003496272
[H]/N=C1C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)/C(=O)N=C2SC(c3ccccc3C)=NN2/1,C09292203_decoy,GCR,Decoy,0,-6.59284,-4.21,-4.39,-3.2226056463588426
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Oc2c1ccc(O)c2CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2,C41584778_decoy,GCR,Decoy,0,-8.51692,-4.48,-3.76,-3.5090435870839074
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2CCCN21,C35086313_decoy,GCR,Decoy,0,-6.64724,-3.78,-0.75,-2.5983104410090614
O=C(Nc1cccc2ccccc12)c1ccc2c(c1)S(=O)(=O)N(c1ccc(Br)cc1)C2=O,C65008068_decoy,GCR,Decoy,0,-9.11888,-3.74,-1.61,-4.014466999195189
Cc1ccc(N/N=C2/C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1,C01623288_decoy,GCR,Decoy,0,-6.2096,1.58,-4.33,-1.1726213559438696
N#Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)sc2c1CCC2,C03345669_decoy,GCR,Decoy,0,-10.6529,-3.32,-4.48,-4.637631053038609
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2,C00824579_decoy,GCR,Decoy,0,-10.7485,-3.41,-0.67,-3.791409356530856
O=C(N[C@@H]1CCSc2ccc(Cl)cc21)C1CCN(C(=O)c2ccc(Br)cc2)CC1,C09112175_decoy,GCR,Decoy,0,-9.79413,-4.04,-0.85,-4.376656469125231
C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCS[C@@H]2c2ccccc2F)C1=O,C09614043_decoy,GCR,Decoy,0,-11.0784,-4.23,-3.81,-4.998611302972104
CCCCN1C(=O)[C@]2(c3cc(Br)ccc31)c1[nH]c3ccccc3c1CCN2C(C)=O,C13635557_decoy,GCR,Decoy,0,-5.44221,-3.2,-2.8,-2.749911244793534
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1,C13800082_decoy,GCR,Decoy,0,-11.3744,-3.5,-2.04,-4.279153378003194
[H]/N=C1C(=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)\C(=O)N=C2SC=C(C)N2\1,C13892863_decoy,GCR,Decoy,0,-10.2982,-3.81,-0.96,-4.080452293862702
Cc1c(-c2ccccc2)sc(NC(=O)c2ccc3ncsc3c2)c1C(=O)N1CCOCC1,C14389674_decoy,GCR,Decoy,0,-10.8045,-1.67,-1.18,-3.9560898095533648
CS(=O)(=O)c1ccc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2c1,C14462739_decoy,GCR,Decoy,0,-11.5409,-2.72,-0.55,-4.193433138427849
O=C(Nc1cccc2cccnc12)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,C14517854_decoy,GCR,Decoy,0,-10.1662,-5.01,-3.59,-5.285823454117147
Cc1sc2nc(CSc3ccc(Br)cc3)nc(N3CCC(O)CC3)c2c1C,C15172976_decoy,GCR,Decoy,0,-10.8404,-2.99,-3.56,-4.184987605680888
O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12,C20533183_decoy,GCR,Decoy,0,-8.88612,-4.6,-0.71,-4.08781576000831
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cnc2sc3c(n2c1=O)CCCC3,C20767708_decoy,GCR,Decoy,0,-11.8323,-3.39,-5.3,-4.921304894189481
CN1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2-c2nc3ccccc3s2)C1,C20890846_decoy,GCR,Decoy,0,-11.7307,-4.63,-3.3,-5.308839504470103
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3c(C)sc4ccccc34)sc2c1,C21661121_decoy,GCR,Decoy,0,-9.55789,-4.61,-2.12,-4.338465479654528
O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CCCC[C@@H]1c1nc2ccccc2s1,C24758445_decoy,GCR,Decoy,0,-6.9005,-2.5,-2.06,-2.680255583230795
Cn1c2ccc(Br)cc2c2nnc(N/N=C\c3ccc(Br)cc3)nc21,C31857597_decoy,GCR,Decoy,0,-11.0129,-6.85,-3.29,-7.235511773633699
[H]/N=C1C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)\C(=O)N=C2SC=C(c3ccccc3)N2\1,C32518589_decoy,GCR,Decoy,0,-12.2765,-3.23,-0.69,-4.987519725318423
O=C(Cn1nc(Br)nc1Br)Nc1ccc(I)cc1,C32683776_decoy,GCR,Decoy,0,-9.67575,-2.02,-0.57,-3.505461782545928
[H]/N=C1C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)/C(=O)N=C2SC(c3ccccc3)=NN2/1,C33680836_decoy,GCR,Decoy,0,-8.80132,-4.82,-2.05,-4.125502515050593
COC(=O)[C@@H]1CCCN1C(=O)c1cc(I)cc(I)c1O,C35179054_decoy,GCR,Decoy,0,-9.42531,-6.96,-2.8,-8.114000313430243
CC1=C(C)[C@H]2C(=O)N=C3SC[C@@H](CSc4nc5sc6c(c5c(=O)[nH]4)CCCC6)N3[C@@H]2S1,C39337576_decoy,GCR,Decoy,0,-10.6427,-3.71,-3.51,-4.096482178275839
COn1c2c(c3nc4cccc(I)c4cc3c1=O)N[C@@H](Br)CC2=O,C39454103_decoy,GCR,Decoy,0,-10.3497,-4.19,-2.53,-3.7778734440254698
O=C1C[C@@H](Br)Nc2c1n(I)c(=O)c1cc3c(F)cccc3nc21,C39454215_decoy,GCR,Decoy,0,-10.0286,-3.0,-1.65,-2.3908728256486587
Cc1c(O)c2c(n1S(=O)(=O)C(C)C)-c1nc3ccccc3c(I)c1C(=O)CC2,C39457444_decoy,GCR,Decoy,0,-10.7876,-5.57,-3.59,-4.89428255497458
Cc1c(Cl)c2c(n1S(=O)(=O)c1ccccc1)-c1nccc(-c3ccccc3O)c1C(=O)CC2,C39457960_decoy,GCR,Decoy,0,-8.87174,-3.48,-1.6,-3.672974276135956
Cc1c(-c2ccccc2O)c2c(n1F)-c1nccc(S(=O)(=O)c3ccccc3)c1C(=O)CC2,C39459317_decoy,GCR,Decoy,0,-10.5587,-3.47,-3.57,-4.055541480758376
Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@@H]1N2S(=O)(=O)c1cc(C(=O)[O-])ccc1Br,C39700796_decoy,GCR,Decoy,0,-10.1203,-2.88,-2.03,-3.815769520778112
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(CCO)CC1)c1nc3cc(Cl)c(Cl)cc3nc12,C33774295_decoy,GCR,Decoy,0,-7.22413,-3.65,-2.68,-3.152106186839645
O=C(NN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S)c1csc2c1CCCC2,C40144940_decoy,GCR,Decoy,0,-13.4053,-5.98,-1.08,-6.725367518231804
CN1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21,C45347390_decoy,GCR,Decoy,0,-6.54534,-3.2,-1.9,-2.707658278615356
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Br)cc2)c1O,C16672113_decoy,GCR,Decoy,0,-9.70568,-4.28,-3.95,-4.104473212955247
O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N1c1ccccc1)[C@H]1[C@@H](c2cccs2)c2sc(=O)[nH]c2S[C@H]31,C54652738_decoy,GCR,Decoy,0,-7.12506,-1.63,-2.28,-2.2867344620938965
[H]/N=C1C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)/C(=O)N=C2SC(c3ccccc3Cl)=NN2/1,C33600947_decoy,GCR,Decoy,0,-10.3617,-2.63,-4.57,-3.5537634826865347
[H]/N=C1C(=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)/C(=O)N=C2SC(c3cccc(C)c3)=NN2/1,C09274057_decoy,GCR,Decoy,0,-11.7037,-4.35,-3.3,-5.036766897437718
[H]/N=C1C(=C/c2cc(C)n(-c3ccccc3)c2C)/C(=O)N=C2SC(c3ccccc3Cl)=NN2/1,C33680664_decoy,GCR,Decoy,0,-11.0776,-2.72,-0.85,-4.251988946741223
[H]/N=C1C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)/C(=O)N=C2SC(c3ccccc3C)=NN2/1,C33149733_decoy,GCR,Decoy,0,-12.8187,-3.63,-4.88,-4.694580993095387
[H]/N=C1C(=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)/C(=O)N=C2SC(c3cccc(C)c3)=NN2/1,C41076702_decoy,GCR,Decoy,0,-8.26319,-2.26,-1.66,-3.290571846345247
O=c1[nH]c(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2scc(-c3ccc(F)cc3)c12,C57369570_decoy,GCR,Decoy,0,-11.9295,-10.83,-0.93,-9.22882023830493
COc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(I)c1O,C59433791_decoy,GCR,Decoy,0,-10.2684,-4.34,-2.41,-4.64211757195703
Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccccc2F)c1,C09673422_decoy,GCR,Decoy,0,-6.84945,-3.84,-3.76,-2.9192671254258222
Cc1c(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)ccc(Br)c1Cl,C13941590_decoy,GCR,Decoy,0,-10.9627,-4.32,-1.82,-2.108185297462687
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1,C60289876_decoy,GCR,Decoy,0,-11.3546,-4.34,-2.0,-4.9250556376640295
Cc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3ccc(I)o3)S2)cc1,C12436440_decoy,GCR,Decoy,0,-8.80818,-7.39,-3.72,-6.745752048089826
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21,C16000659_decoy,GCR,Decoy,0,-10.4353,-3.98,-2.68,-3.845288170972809
[H]/N=C1C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)/C(=O)N=C2SC(c3cccc(C)c3)=NN2/1,C09291463_decoy,GCR,Decoy,0,-10.5207,-4.02,-2.84,-4.6153915345203
[H]/N=C1C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)/C(=O)N=C2SC(C(C)C)=NN2/1,C09293647_decoy,GCR,Decoy,0,-12.2709,-3.95,-1.26,-5.152386891896494
COc1cc(/C=C(\C#N)C2=NC(=O)C3=C4CC[C@@H](C)C[C@@H]4SC3=N2)cc(Br)c1O,C40010844_decoy,GCR,Decoy,0,-12.8078,-4.5,-3.52,-5.179057180814735
Cc1cc(C)c2c(n1)sc1c(=O)n(CC(=O)Nc3ccc(Br)c(C)c3)c(C)nc12,C64746873_decoy,GCR,Decoy,0,-10.8589,-4.11,-1.79,-4.836866283625971
O=C([O-])C1CC[NH+](Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn23)CC1,C02528866_decoy,GCR,Decoy,0,-7.11746,-3.89,,99.0
CC(C)(C)c1cc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(C(C)(C)C)c1O,C01758940_decoy,GCR,Decoy,0,-7.29607,-4.18,-2.39,-2.9924273629610054
COc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(I)cc2)cc1,C00799730_decoy,GCR,Decoy,0,-7.74919,-3.9,-2.37,-3.8160726648808847
CNC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1,C00935188_decoy,GCR,Decoy,0,-11.1002,-2.63,-4.78,-4.386213593326112
Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)Nc4cc(Cl)ccc4Cl)c(=O)c23)cc1C,C08893909_decoy,GCR,Decoy,0,-9.332,-3.18,-3.79,-3.932183834268069
CC(/C=N/NC(=O)c1cc(I)ccc1Cl)=C\c1ccc2c(c1)OCO2,C08935125_decoy,GCR,Decoy,0,-10.4611,-9.82,-1.47,-13.569852613772388
Cc1ccc(-c2c(C)sc3ncn([C@@H](C)C(=O)Nc4ccc(C)c(Cl)c4)c(=O)c23)cc1C,C02614729_decoy,GCR,Decoy,0,-5.54244,-4.02,-2.96,-3.1041335931985725
[H]/N=C1\C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N21,C09136171_decoy,GCR,Decoy,0,-12.153,-4.18,-4.63,-4.874111615491943
CCc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S,C09310100_decoy,GCR,Decoy,0,-7.83691,-4.25,-3.85,-3.900527724832587
O=C(N/N=C/c1cc(Br)c(I)o1)c1ccccc1-n1cccc1,C01102243_decoy,GCR,Decoy,0,-9.79174,-2.38,-2.29,-3.4831762252489487
CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1,C09504680_decoy,GCR,Decoy,0,-8.01456,-3.28,-1.11,-3.656122874150415
Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1Cl,C09559439_decoy,GCR,Decoy,0,-10.5505,-4.63,-5.45,-4.915261949844201
CSc1ccccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)=O)C2,C09636078_decoy,GCR,Decoy,0,-6.15932,-3.57,-4.04,-2.873562875740544
O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,C09699651_decoy,GCR,Decoy,0,-11.4533,-4.14,-1.66,-5.548214440319369
C[C@@H](C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1)N1c2ccccc2Sc2ccccc21,C10250640_decoy,GCR,Decoy,0,-11.822,-4.6,-1.51,-5.564690421260073
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1,C02288778_decoy,GCR,Decoy,0,-12.4885,-4.27,-2.78,-4.648284016217543
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(S(=O)(=O)N(C)C)cc4[C@H]4C=CC[C@@H]43)ccc21,C13642614_decoy,GCR,Decoy,0,-12.4341,-3.29,-2.25,-4.4941637508138745
O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]31)[C@@H]2Br,C13857542_decoy,GCR,Decoy,0,-11.8131,-3.69,-4.87,-5.068615026891431
O=C(Nc1cccc(Cl)c1F)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C14935476_decoy,GCR,Decoy,0,-11.4873,-4.57,-11.03,-5.533374576160941
COc1ccc(/C=C2\Sc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3N(C)C2=O)cc1,C20179619_decoy,GCR,Decoy,0,-9.71305,-4.6,-2.19,-4.35721129386817
Cc1c(C(=O)NCc2cccs2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3,C20418044_decoy,GCR,Decoy,0,-13.4071,-5.48,-1.51,-6.280182564207461
Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3)S4)C[C@H]2C)c1,C20737390_decoy,GCR,Decoy,0,-7.0834,1.77,-2.26,-1.524310500703702
C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)CN=C(c2ccc(F)cc2)c2c1sc1c2CCCC1,C21925890_decoy,GCR,Decoy,0,-5.87835,-3.56,-2.83,-3.244044465393007
O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1,C22483068_decoy,GCR,Decoy,0,-10.4212,-4.38,-1.09,-4.715616406352261
O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,C22508853_decoy,GCR,Decoy,0,-10.8284,-3.73,-0.78,-4.799565553222601
O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,C25182355_decoy,GCR,Decoy,0,-11.557,-3.91,-1.0,-5.434189992910642
O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1,C25182363_decoy,GCR,Decoy,0,-10.9003,-4.41,-1.46,-5.136100053851985
O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)s1,C30954370_decoy,GCR,Decoy,0,-11.3503,-3.25,-1.22,-4.978228825709728
C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc(I)cc2)C1=O,C32835434_decoy,GCR,Decoy,0,-8.93507,-4.69,-5.04,-4.341403725919362
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC2(CC1)SCCN2C(=O)c1ccc(F)cc1,C33783463_decoy,GCR,Decoy,0,-7.80112,-3.68,-3.87,-3.638068755649608
CCN(CC)c1ccc(N2C(=O)/C(=C3\C(=O)Nc4ccc(Br)cc43)SC2=S)cc1,C02573384_decoy,GCR,Decoy,0,-11.8493,-3.2,-2.75,-4.766103972089128
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1c1ccc(Cl)cc1,C35312462_decoy,GCR,Decoy,0,-8.36527,-3.17,-2.76,-3.603624658767736
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc2c(cc1Br)OCCO2,C35982486_decoy,GCR,Decoy,0,-10.9761,-7.62,-4.2,-8.327912594512151
Cc1cc(C)n(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c(=O)n1,C01189134_decoy,GCR,Decoy,0,-7.46763,-3.06,-2.51,-3.1258492035667143
Cc1ccc(-c2ccnc(N3CCC(C(=O)Nc4ccc(Br)cc4F)CC3)n2)cc1,C40859121_decoy,GCR,Decoy,0,-11.6695,-1.16,-1.23,-4.144061896446619
Cc1cc(C)c(-c2ccnc(N3CCC[C@H](C(=O)Nc4c(F)c(F)cc(F)c4F)C3)n2)c(C)c1,C40871425_decoy,GCR,Decoy,0,-10.3564,-4.2,-3.72,-4.914103844328366
O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccc(Br)cc1,C40940407_decoy,GCR,Decoy,0,-10.1557,12.69,-0.68,1.2342815604183586
C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@]2(C)Cc3sc(-c4cccnc4)nc3[C@@H](C)[C@@H]2[C@@H]1O,C43548946_decoy,GCR,Decoy,0,-13.3024,-11.48,-0.7,-18.73720035625068
C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@]2(C)Cc3sc(-c4cccnc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C43548949_decoy,GCR,Decoy,0,-13.6226,-2.0,-3.52,-4.602343740574669
O=C(N[C@H](N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl)c1cccc2ccccc12,C43740595_decoy,GCR,Decoy,0,-6.85447,-6.85,-1.66,-4.437431307275998
Cc1cc(C)cc(Sc2c(Cn3cnc(C)c3C#N)c(C)[nH]c(=O)c2I)c1,C45290017_decoy,GCR,Decoy,0,-9.75653,-6.95,-3.19,-8.450990808960508
O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc2cc(Br)ccc2o1,C46781081_decoy,GCR,Decoy,0,-10.6617,-6.56,-1.63,-7.747841320734818
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1,C02278498_decoy,GCR,Decoy,0,-11.1037,-3.53,-3.05,-4.413729930309225
O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)CC1,C02728314_decoy,GCR,Decoy,0,-9.0648,-4.87,-2.06,-4.657283008048249
COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)c(Br)c1O,C00793922_decoy,GCR,Decoy,0,-11.3932,-3.77,-1.9,-4.541992243579193
N#C/C(=C\c1ccc(Br)cc1F)C(=O)Nc1cc(Cl)ccc1N1CCOCC1,C57405817_decoy,GCR,Decoy,0,-10.4203,-4.42,-3.63,-4.952515902989555
O=C1[C@H]2C3c4ccccc4C(/C=N/CCO)(c4ccccc43)[C@H]2C(=O)N1c1cccc2ccccc12,C59382441_decoy,GCR,Decoy,0,-10.4656,-4.08,-2.13,-4.477905657426574
O=C(NCc1cc(Br)cc2c1OCOC2)c1cc2cc(Br)ccc2o1,C41353877_decoy,GCR,Decoy,0,-11.1826,-3.63,-1.57,-4.581640051223894
Brc1ccc([C@H]2C[C@@H](c3ccc(I)cc3)Nc3nnnn32)cc1,C02918624_decoy,GCR,Decoy,0,-9.59101,-2.95,-2.16,-3.5672643074665134
O=C(N/N=C/[C@@H]1C=NN=C1c1ccc(Cl)cc1)[C@H]1Sc2cccc(Br)c2[C@H]1Cl,C63773145_decoy,GCR,Decoy,0,-12.3407,-6.17,-2.64,-6.494568080811724
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)sc2c1,C02737807_decoy,GCR,Decoy,0,-9.66363,-4.14,-5.1,-4.879408300631311
O=C1CCCc2oc3c(Cl)cc(NS(=O)(=O)c4ccc(Br)cc4)cc3c21,C00944080_decoy,GCR,Decoy,0,-11.0191,-9.29,-1.6,-9.138819573425192
O=C1CCCc2oc3c(Br)cc(NS(=O)(=O)c4cccc5ccccc45)cc3c21,C02503437_decoy,GCR,Decoy,0,-10.7621,-5.97,-0.78,-5.547249243319167
CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C09013762_decoy,GCR,Decoy,0,-5.99262,-3.62,-2.81,-2.437651229477682
Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(I)c(C)c3)C(=O)NC2=S)cc1,C09262137_decoy,GCR,Decoy,0,-9.09431,8.34,-2.2,-0.3706363363251392
O=C1c2cccnc2[C@H](Nc2ccc(Br)cc2Br)N1Cc1cccs1,C09612100_decoy,GCR,Decoy,0,-10.1716,-7.61,-3.0,-11.277469468772814
O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCc3sccc3[C@H]2c2cccs2)C1,C09683475_decoy,GCR,Decoy,0,-10.7907,-2.74,,99.0
C[C@@H]1CCC/C(=N\NC(=O)COc2ccc3cc(Br)ccc3c2Br)C1,C12491411_decoy,GCR,Decoy,0,-9.94377,-7.17,-2.06,-8.038605726360085
O=c1c2c3c(sc2ncn1/N=C1/C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1)CCCC3,C12558452_decoy,GCR,Decoy,0,-10.5545,-2.24,-1.33,-3.533312008059928
O=C(Nc1ccc(Br)cc1Cl)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1,C13941427_decoy,GCR,Decoy,0,-11.0911,-3.95,-2.47,-2.09400564399574
O=C(Nc1ccccc1I)c1nn(-c2ccccc2)c(=O)c2ccccc12,C14429640_decoy,GCR,Decoy,0,-10.2695,-4.39,-4.24,-4.687352690299235
C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S,C15046129_decoy,GCR,Decoy,0,-9.82872,-4.22,-3.67,-4.747934517608504
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccc(Br)cc2Br)C1=O,C15946398_decoy,GCR,Decoy,0,-11.6591,-4.26,-1.47,-4.644782146594008
CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21,C16000579_decoy,GCR,Decoy,0,-11.2673,15.06,-3.66,1.22352387764889
O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1,C16184723_decoy,GCR,Decoy,0,-12.3813,-3.77,-4.77,-2.202633433948276
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)cc1,C16292727_decoy,GCR,Decoy,0,-13.8072,-2.76,-3.63,-5.078084972958207
O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)SCCN2C(=O)c1ccc(Br)cc1,C16497029_decoy,GCR,Decoy,0,-5.90414,-3.44,-3.56,-2.7485776721462587
CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(Cl)c3)c(=O)n(-c3ccc(Cl)cc3)c2C1,C03659188_decoy,GCR,Decoy,0,-11.0005,-2.89,-3.8,-4.119150024024949
Cc1ccc(NC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)c(Cl)c1,C20415073_decoy,GCR,Decoy,0,-8.29166,-4.67,-5.07,-4.034868875263026
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1N[C@H](C)C12CC3CC(CC(C3)C1)C2,C20465817_decoy,GCR,Decoy,0,-10.6991,-4.4,-1.23,-4.9880245435824095
CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1N[C@@H](C)C12CC3CC(CC(C3)C1)C2,C20465820_decoy,GCR,Decoy,0,-10.9378,-10.27,-5.3,-12.127297435839314
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccccc1I,C20494661_decoy,GCR,Decoy,0,-9.4655,-3.78,-4.38,-4.133406832215616
Cc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)c(Br)c3)sc2c1,C21660999_decoy,GCR,Decoy,0,-10.5909,0.07,-4.18,-3.5368880211647227
Cc1cc(NC(=O)c2ccc(Br)s2)n(-c2nc3c(Cl)cccc3s2)n1,C21685771_decoy,GCR,Decoy,0,-10.8223,-2.78,-4.74,-4.274124471213601
O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1c(Cl)cc(Cl)cc1Cl,C21858304_decoy,GCR,Decoy,0,-11.1581,-9.23,-2.49,-9.646750775015908
Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCc4ccccc4C3)c(O)n2n1,C23157072_decoy,GCR,Decoy,0,-9.21881,-4.02,-3.67,-4.159569410431999
Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(Br)cc3)CC(=O)N2C)cc1Cl,C27569823_decoy,GCR,Decoy,0,-9.96029,-3.89,-1.83,-3.946093301353124
O=C(NC1CCCCC1)N1CCC2(CC1)SCCN2C(=O)c1ccc(C(F)(F)F)cc1,C33694705_decoy,GCR,Decoy,0,-9.98735,-4.64,-2.07,-4.67196268172972
CC1(C)CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc(F)c(Br)c1,C09496143_decoy,GCR,Decoy,0,-9.31712,-4.66,-2.62,-4.099553825207693
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1C1CCCCCC1,C35312567_decoy,GCR,Decoy,0,-7.60673,-2.66,-3.58,-3.3636760096453804
O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)SCCN2C(=O)c1ccc(Cl)cc1,C35357713_decoy,GCR,Decoy,0,-9.80232,-4.85,-2.34,-4.743460058160448
O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1Cl)c1ccc(Cl)cc1Cl,C36079821_decoy,GCR,Decoy,0,-11.6894,-2.88,-1.59,-4.676093769348593
O=C(Nc1ccc(F)cc1Br)c1cc([N+](=O)[O-])ccc1I,C37286149_decoy,GCR,Decoy,0,-8.02826,-8.76,-1.64,-10.78354348989335
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1sc2c(c1C#N)CCC2,C08989909_decoy,GCR,Decoy,0,-12.3235,-2.71,-6.07,-4.597093773149652
O=C(Nc1nnc(-c2cccc(Br)c2)o1)c1ccccc1I,C36681179_decoy,GCR,Decoy,0,-10.967,-7.97,-1.45,-8.92567399829689
O=C1C[C@H](Br)Nc2c1n(Cl)c(=O)c1cc3c(I)cccc3nc21,C39454188_decoy,GCR,Decoy,0,-10.8348,-5.56,0.07,-3.5735705154449784
Cc1c(-c2ccccc2O)c2c(n1I)-c1nccc(Br)c1C(=O)CC2,C39458928_decoy,GCR,Decoy,0,-9.49037,-3.43,-1.25,-3.196518876587012
N#C[C@@H](C(=O)c1cc2c(s1)-c1ccccc1CC2)c1nc2sc3c(c2c(=O)[nH]1)CCCC3,C40162364_decoy,GCR,Decoy,0,-10.6704,-4.56,-1.93,-4.799832403746893
C[C@H](C(=O)N1CCN(C)CC1)[C@H]1CC[C@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C43549098_decoy,GCR,Decoy,0,-13.2192,-3.62,-3.47,-5.294922533173062
Cc1sc(C(=O)Nc2cc(Br)ccc2I)cc1[N+](=O)[O-],C49031264_decoy,GCR,Decoy,0,-8.92625,-2.87,-0.88,-4.006113837862378
O=C1C2=C(c3ccc(Br)cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc(F)c1,C09014160_decoy,GCR,Decoy,0,-7.29582,-3.54,-3.3,-3.0145009747560256
O=C(c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCCC1,C00866802_decoy,GCR,Decoy,0,-10.5231,-4.01,-4.76,-4.590913500630391
Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(I)cc2)Nc2nnnn21,C02918643_decoy,GCR,Decoy,0,-10.0729,-9.94,-3.34,-11.58132624557122
CN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(Br)cc1,C58945722_decoy,GCR,Decoy,0,-11.1745,-1.89,-3.29,-3.833641288060984
Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(I)cc3)CC(=O)N2C)cc1C,C33446096_decoy,GCR,Decoy,0,-9.77664,-2.56,-1.42,-3.784767844862559
O=C1N/C(=N\c2ccc(Br)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)o1,C59138449_decoy,GCR,Decoy,0,-11.5569,-7.36,-1.93,-7.048245571198074
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2F)o1,C59246311_decoy,GCR,Decoy,0,-10.4711,-3.98,-3.29,-4.810610070529416
O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccccc1I,C59377004_decoy,GCR,Decoy,0,-8.93732,-3.42,-2.49,-4.082186034325481
Cc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)c(C)n1-c1ccncc1,C33293576_decoy,GCR,Decoy,0,-11.0833,-4.46,-1.99,-4.820065491791379
Fc1ccc(Br)cc1[C@H]1C[C@H](c2ccc(I)cc2)Nc2nnnn21,C02918369_decoy,GCR,Decoy,0,-10.969,-8.11,-2.11,-8.155094343727367
O=C(c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,C03534380_decoy,GCR,Decoy,0,-12.0341,-3.51,-3.31,-5.340679137089191
O=c1nc2n(c(O)c1[C@@H](c1ccc(Br)cc1)c1c(O)nc3n(c1=O)CCS3)CCS2,C08837590_decoy,GCR,Decoy,0,-6.4878,-4.02,-2.95,-3.2633918026177584
Cn1c(=O)c2c(SCC(=O)N3CCCCC3)nc(-c3ccc(Br)cc3)nc2n(C)c1=O,C08901802_decoy,GCR,Decoy,0,-7.77115,-3.53,-3.68,-3.263766473446392
Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1,C09764144_decoy,GCR,Decoy,0,-7.08045,-2.55,-3.91,-3.328991913784747
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5Br)CC4)ncnc32)cc1,C09851373_decoy,GCR,Decoy,0,-9.4864,-2.85,-2.73,-4.359438331650812
O=C(NCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1I,C10590751_decoy,GCR,Decoy,0,-10.5517,-4.1,-2.91,-4.90714104332008
CS(=O)(=O)c1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1,C10836812_decoy,GCR,Decoy,0,-11.3909,12.05,-4.94,0.3720932822382623
C[C@H]1CCc2c(sc3nc(SCC(=O)c4c(N)n(C)c(=O)n(C)c4=O)n(-c4ccccc4)c(=O)c23)C1,C12549181_decoy,GCR,Decoy,0,-6.57896,-3.24,-3.74,-3.045028029183314
O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2O)C1=O)N1CCOCC1,C15052762_decoy,GCR,Decoy,0,-10.9165,-7.93,-0.75,-10.377616906505173
Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1,C19940591_decoy,GCR,Decoy,0,-6.5078,-3.87,-2.7,-3.3995894119157186
O=C(c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C20617909_decoy,GCR,Decoy,0,-13.8286,-4.12,-2.89,-6.017118121749503
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C20617911_decoy,GCR,Decoy,0,-12.374,-3.44,-3.36,-4.627965798181115
COc1ccc2c(c1)[C@]1(C(=O)N2C)N(C)C[C@H](c2ccco2)[C@@]12SC(=S)N(Cc1ccco1)C2=O,C13626322_decoy,GCR,Decoy,0,-9.78068,-3.17,,99.0
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O,C22361817_decoy,GCR,Decoy,0,-10.476,-9.28,-2.32,-14.069051736955585
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C23109518_decoy,GCR,Decoy,0,-11.5962,-4.27,-1.5,-5.311986191723614
CCOc1cc(Br)c(N2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC,C32506294_decoy,GCR,Decoy,0,-6.51256,-3.44,-2.03,-3.4305392432488624
Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(CCO)CC4)nc4ccccn4c3=O)SC2=S)cc1,C33350049_decoy,GCR,Decoy,0,-8.20052,-4.03,-3.59,-3.6505045567928094
CCn1c(N2C[C@@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O,C33475374_decoy,GCR,Decoy,0,-5.76455,-3.59,-2.8,-2.7945171338038004
[H]/N=c1/c(=C/c2cn(Cc3ccccc3C)c3ccccc23)c(=O)nc2s/c(=C/C(=O)N3CCCC3)[nH]n1-2,C33498700_decoy,GCR,Decoy,0,-11.144,-2.85,-4.19,-4.293438558152944
CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1,C35987775_decoy,GCR,Decoy,0,-5.79976,-3.6,-4.22,-3.155180641139719
Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1,C35987805_decoy,GCR,Decoy,0,-10.7732,-3.76,,99.0
Cc1ccc(C)c(CN2CCN(C(=O)c3cn(C[C@H]4CCCO4)cc4c(=O)n(-c5ccccc5)nc3-4)CC2)c1,C38485406_decoy,GCR,Decoy,0,-7.7925,-3.94,-2.46,-3.827668468764416
O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCN(Cc2ccccc2F)CC1,C38485410_decoy,GCR,Decoy,0,-7.37069,-4.32,-5.11,-3.92269552084352
CC(C)S(=O)(=O)[C@@H]1CC(=O)c2c(c3ncc(Br)cc3c(=O)n2S(=O)(=O)C(C)C)N1,C39452410_decoy,GCR,Decoy,0,-7.19773,-5.17,-3.27,-3.714576266214645
CSc1ccnc2c1C(=O)CCc1c(S(=O)(=O)C(C)C)c(C)n(S(=O)(=O)Oc3ccccc3)c1-2,C39458459_decoy,GCR,Decoy,0,-9.42685,-3.48,-2.95,-4.1374256478827895
Cc1c(S(=O)(=O)C(C)C)c2c(n1Cl)-c1nccc(S(=O)(=O)Oc3ccccc3)c1C(=O)CC2,C39459411_decoy,GCR,Decoy,0,-11.046,-5.59,-4.42,-5.565835917024281
COn1c(C)c(S(=O)(=O)Oc2ccccc2)c2c1-c1nccc(S(=O)(=O)C(C)C)c1C(=O)CC2,C39459530_decoy,GCR,Decoy,0,-10.2037,-4.25,-4.17,-4.586145865168939
Cc1c(S(=O)(=O)Oc2ccccc2)c2c(n1Cl)-c1nccc(S(=O)(=O)C(C)C)c1C(=O)CC2,C39459534_decoy,GCR,Decoy,0,-10.3266,-3.52,-3.14,-4.51365784885539
CC(C)S(=O)(=O)C1=C[C@@H]2C[C@H]3CO[P@](=O)(S(=O)(=O)C(C)C)NN3C[C@@H]2C=C1Br,C39470063_decoy,GCR,Decoy,0,-10.038,-2.72,-3.77,-3.960938050803508
CC(C)S(=O)(=O)c1cc2nc3n(c(=O)c2cc1F)CCc1c-3n(S(=O)(=O)C(C)C)c2ccccc12,C39542173_decoy,GCR,Decoy,0,-10.4556,-3.46,-4.99,-4.337901790911426
CC(C)CN(I)C(=O)[C@@H]1CC(S(=O)(=O)C(C)C)=C2Nc3ccccc3C[NH+]21,C39544993_decoy,GCR,Decoy,0,-6.79046,-2.77,-4.96,-2.9308294386660703
Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c(=O)n2c1,C39729233_decoy,GCR,Decoy,0,-7.03159,-4.99,-5.13,-3.661195785418839
CCCn1c(N2CCOCC2)c(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c(C#N)c1=O,C39769722_decoy,GCR,Decoy,0,-5.73616,-4.1,-3.91,-3.142971120400725
Cc1ccc(CN(C(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1,C39909616_decoy,GCR,Decoy,0,-10.0362,-9.89,-0.54,-12.426988102416814
Cc1c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N,C39989598_decoy,GCR,Decoy,0,-7.37682,-2.83,-1.6,-3.0007433711814
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O,C40008012_decoy,GCR,Decoy,0,-12.5846,-3.51,-2.86,-5.339061693017614
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1,C40221219_decoy,GCR,Decoy,0,-6.81251,-3.63,-3.23,-3.096032195079348
Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2,C40811736_decoy,GCR,Decoy,0,-12.7007,15.97,-5.17,1.1825845803221546
COC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc2c1[C@@H](C(=O)OC)CC2,C40852547_decoy,GCR,Decoy,0,-12.0285,-3.96,-4.42,-5.351711241400792
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@](C(=O)[O-])(c2ccccc2)[NH2+][C@H]3c2ccc3c(c2)OCCO3)cc1,C43210535_decoy,GCR,Decoy,0,-6.12285,7.36,-2.21,0.4098596699048615
CN1C(=O)[C@@]2(c3cc(F)ccc31)N(C)C[C@H](c1cccnc1)[C@]21SC(=S)N(Cc2ccco2)C1=O,C43590686_decoy,GCR,Decoy,0,-5.62975,-3.35,-2.78,-2.3938011044839915
Cn1c2c(c(=O)n(C)c1=O)[C@]1(C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc31)C(C#N)=C(N)O2,C55104524_decoy,GCR,Decoy,0,-10.5382,-3.38,-2.14,-3.981206918074896
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C)nn([C@H]5CCS(=O)(=O)C5)c4C)CC3)CC2=O)cc1C,C56936723_decoy,GCR,Decoy,0,-11.8993,-2.7,-6.05,-4.424018221807853
[H]/N=c1/c(=C\c2cc(C)n(-c3ccc([C@@H](C)CC)cc3)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCC3)[nH]n1-2,C20291320_decoy,GCR,Decoy,0,-10.7312,-3.84,-3.34,-5.112213432781314
[H]/N=c1/c(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)c(=O)nc2s/c(=C/C(=O)N3CCOCC3)[nH]n1-2,C20517663_decoy,GCR,Decoy,0,-11.3172,-2.16,-2.02,-4.035693321702849
CCOC(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccs3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)C1,C57311099_decoy,GCR,Decoy,0,-6.94148,-3.07,,99.0
[H]/N=C1C(=C\c2cn(CCOc3ccc(C)cc3C)c3ccccc23)/C(=O)N=C2SC(S(C)(=O)=O)=NN2/1,C20207696_decoy,GCR,Decoy,0,-11.8396,-4.8,-4.03,-5.2883628157263765
C[C@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21,C15319913_decoy,GCR,Decoy,0,-6.41763,-3.82,-2.26,-2.9456907958085785
O=C(Cn1c2c(sc1=O)[C@H](c1cccnc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2)N1CCCCC1,C15087310_decoy,GCR,Decoy,0,-9.75364,-4.58,-2.34,-4.651805392842693
CC1(C)c2sc(=O)n(CC(=O)N3CCOCC3)c2S[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21,C18120459_decoy,GCR,Decoy,0,-11.1073,-4.17,-3.68,-4.714166567844922
O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C01107865_decoy,GCR,Decoy,0,-9.28164,-7.58,-1.38,-7.669545144186117
Oc1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCOCC1,C04608526_decoy,GCR,Decoy,0,-9.98336,-7.88,-4.26,-8.51833328703566
O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1,C00639556_decoy,GCR,Decoy,0,-8.64987,-3.69,-6.45,-4.034058442238203
N#C/C(=C\c1cccn1-c1ccc(Br)cc1)c1nc2ccccc2[nH]1,C04705561_decoy,GCR,Decoy,0,-8.40943,-8.96,-1.43,-7.792179411017091
O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C01210950_decoy,GCR,Decoy,0,-9.12856,-8.53,-0.78,-7.99488841806219
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)NC1=S,C04845883_decoy,GCR,Decoy,0,-10.3919,-4.18,-1.13,-4.3526711830680185
O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(Br)cc1,C05221085_decoy,GCR,Decoy,0,-9.09066,-2.5,-1.76,-3.366071011414831
Cc1ccc(CN2C(=O)S/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1,C06009187_decoy,GCR,Decoy,0,-10.6969,-9.25,-3.24,-10.545816222052038
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc(Br)ccc2F)c1,C06174183_decoy,GCR,Decoy,0,-10.0381,-8.65,-1.8,-7.592481818210955
S=c1[nH]nc(-c2ccccc2Br)n1/N=C/c1ccc(Cl)cc1,C06863831_decoy,GCR,Decoy,0,-9.42432,-3.92,-1.54,-4.170545563409361
O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(N2CCCC2=O)c1,C07918038_decoy,GCR,Decoy,0,-9.00822,-8.3,-4.73,-8.269060550648875
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1,C01281122_decoy,GCR,Decoy,0,-9.8812,-1.91,-4.61,-4.49859308717819
S=c1[nH]nc(CN2c3ccccc3Sc3ccccc32)n1-c1ccccc1,C01016617_decoy,GCR,Decoy,0,-9.94547,-3.71,-1.75,-4.074003904655947
O=S(=O)(N/N=C1\CCCCc2ccccc21)c1ccc(Br)cc1,C14017007_decoy,GCR,Decoy,0,-9.64222,-7.53,-1.44,-7.73948217425165
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2,C14466110_decoy,GCR,Decoy,0,-10.6317,-5.0,-2.29,-6.691189990674559
O=C(Nc1ccc(F)c(Cl)c1)N1CCN(Cc2ccc(Cl)s2)CC1,C13324774_decoy,GCR,Decoy,0,-9.9961,-4.13,-1.04,-4.199222740170973
Cc1cc2ncc([C@H](C)Nc3cccc(I)c3)c(C)n2n1,C20478237_decoy,GCR,Decoy,0,-8.76575,-3.68,-1.76,-3.802248817987405
Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)ccc2cccnc12,C21486246_decoy,GCR,Decoy,0,-10.4361,-4.06,-1.82,-4.513205966237123
O=C(NCC#Cc1ccccc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2,C25583882_decoy,GCR,Decoy,0,-9.36416,-3.38,-2.62,-4.0658924669242005
O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(I)cc1,C25661442_decoy,GCR,Decoy,0,-9.12,-4.91,0.38,-4.754866559247322
C[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccc2c(c1)OCCCO2,C31774246_decoy,GCR,Decoy,0,-9.62862,-7.93,-0.87,-7.454349961262987
CC(C)c1cccc(C(C)C)c1NC(=O)N1CCc2c(c3ccccc3n2C)C1,C34928401_decoy,GCR,Decoy,0,-10.2612,-3.45,-5.3,-4.528814437208187
O=C1[C@@H]2[C@H](C(=O)N1CNc1ccc(I)cc1)[C@@H]1C=C[C@H]2C1,C35053173_decoy,GCR,Decoy,0,-8.61398,-7.67,-0.54,-8.49937597640523
O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2,C36365271_decoy,GCR,Decoy,0,-9.71156,-3.26,-2.22,-4.143322692242276
Cc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3)nc21,C36617254_decoy,GCR,Decoy,0,-7.88322,-3.83,-3.68,-3.664235676996871
CSc1ccnc2c1C(=O)CCc1c(SC)c(C)n(-c3ccccc3O)c1-2,C39458339_decoy,GCR,Decoy,0,-9.64546,-3.61,-1.73,-4.014539305777708
O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@H]1c1ccc[nH]1,C40433572_decoy,GCR,Decoy,0,-8.72607,-6.64,-5.74,-7.661166987795496
O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[C@@H]1c1ccc[nH]1,C40433573_decoy,GCR,Decoy,0,-8.84083,-8.1,-5.05,-8.417236937060974
N#CC1(NS(=O)(=O)c2cc(Br)ccc2Br)CCC1,C40692583_decoy,GCR,Decoy,0,-9.2364,-7.28,-1.45,-9.24157444739181
CC(C)C(=O)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1,C16358942_decoy,GCR,Decoy,0,-10.8642,-6.23,-0.82,-6.825763815159199
O=C(Oc1cccc(I)c1)c1cc2ccccc2c(=O)[nH]1,C47744093_decoy,GCR,Decoy,0,-8.89296,-8.59,-2.82,-12.68807088681572
O=C(Nc1cccnc1N1CCCC1)c1cccc(I)c1,C47975263_decoy,GCR,Decoy,0,-8.46503,-6.05,-4.61,-6.970304209685789
O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1cccc(Br)c1,C49415533_decoy,GCR,Decoy,0,-9.06415,-3.77,-3.38,-4.121063243860707
O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1ccc(Br)cc1,C49415535_decoy,GCR,Decoy,0,-7.69634,-2.82,-1.54,-3.2968719362317347
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1c2ccccc2C[C@@H]1C,C56369097_decoy,GCR,Decoy,0,-9.53024,-7.7,-1.29,-8.361060240741345
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCc2cc(F)c(F)cc21,C58456997_decoy,GCR,Decoy,0,-9.03847,-3.83,-2.11,-4.2674056550227135
Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1,C58734572_decoy,GCR,Decoy,0,-9.73753,-4.94,,99.0
O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1,C59119226_decoy,GCR,Decoy,0,-9.55698,-3.26,-4.68,-3.860034180320914
O=C1C[C@@H](Nc2cccc(I)c2)C(=O)N1c1ccccc1,C35179113_decoy,GCR,Decoy,0,-8.19027,-9.15,-0.71,-7.305574346972762
CSc1cccc(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)c1,C60099331_decoy,GCR,Decoy,0,-11.2452,-7.03,-4.59,-9.38890136028842
C[C@H]1CCc2c(C(=O)N3CCC(NC(=O)C4CCCCC4)CC3)csc2C1,C60165386_decoy,GCR,Decoy,0,-10.9513,-2.94,-2.99,-4.089991828788151
C[C@]1(c2ccc(Br)s2)NC(=O)N(Cc2ccc(Cl)s2)C1=O,C60375937_decoy,GCR,Decoy,0,-10.277,-4.9,-0.44,-4.767010475842553
O=C1Cc2cc(C(=O)/C=C/C3=Cc4cc(Br)ccc4OC3)ccc2N1,C63278663_decoy,GCR,Decoy,0,-10.4839,-9.38,-2.33,-7.715620835816179
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1C=C(c2ccc(Br)cc2)N=N1,C63569336_decoy,GCR,Decoy,0,-9.44787,-4.14,-0.8,-4.430301305721727
Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCc3cc(Br)ccc32)s1,C65573144_decoy,GCR,Decoy,0,-9.69285,-7.4,-2.09,-8.072687827680653
O=C(NC1CCCCC1)C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1,C65801622_decoy,GCR,Decoy,0,-10.6971,-2.66,-1.61,-4.530019428319411
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cc(Br)ccc2Cl)C1,C66428728_decoy,GCR,Decoy,0,-9.55615,-8.02,-0.84,-8.68078802496892
CS(=O)(=O)c1c(F)cc(NC(=O)c2ccc(Br)s2)cc1F,C66552928_decoy,GCR,Decoy,0,-8.77619,-4.37,-1.05,-4.611013928011622
Cc1ccc(C(=O)N2CCC(NC(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)cc1,C66677272_decoy,GCR,Decoy,0,-9.43939,-2.42,-1.88,-3.793120256408558
O=C(NCc1ccccc1F)N1CCO[C@@H](c2ccc(Br)cc2)C1,C67555416_decoy,GCR,Decoy,0,-9.29702,-5.33,-0.73,-5.714176531261611
CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(C)cc2)c(=O)n3Cc2ccccc2F)C1,C09830537_decoy,GCR,Decoy,0,-6.46904,-2.24,-4.7,-2.318562375427609
Cc1c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N,C02245699_decoy,GCR,Decoy,0,-6.54396,-3.41,-2.6,-3.318657571683159
Cc1nc2cc(-n3cc4c(c3-c3ccc(Br)cc3)c(=O)n(C)c(=O)n4C)ccc2n1C,C12463263_decoy,GCR,Decoy,0,-6.29559,-3.43,-2.39,-2.459551980510886
Cc1ccc(/C=C2/SC(=O)N(CCC(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1,C12659578_decoy,GCR,Decoy,0,-11.1241,-5.32,-3.85,-5.10659745973004
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c4c(c3)OCCCO4)CC2)c1,C12766892_decoy,GCR,Decoy,0,-11.4478,-3.65,-0.96,-4.7509615395371725
O=C(C[C@H]1C=CCC1)N1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1,C12986983_decoy,GCR,Decoy,0,-10.7649,-6.65,-2.44,-7.947648847405038
O=C(Oc1c(I)cc(I)c2cccnc12)N1CCOCC1,C06144410_decoy,GCR,Decoy,0,-10.0804,-7.67,-2.68,-7.850964053590315
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)CC2)cc1C,C15779832_decoy,GCR,Decoy,0,-9.2383,-3.78,-4.66,-3.870069236493759
O=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1,C16015779_decoy,GCR,Decoy,0,-10.254,-8.34,-1.25,-8.830440809429533
CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1I,C16741197_decoy,GCR,Decoy,0,-9.39152,-2.95,-2.17,-3.6438862075156657
CC1(C)C[C@@H](C(=O)N2CC3(C)CN(C(=O)[C@H]4CCOC(C)(C)C4)CC(C)(C2)C3Cl)CCO1,C16889103_decoy,GCR,Decoy,0,-6.46706,-2.9,-1.86,-2.5928349169596743
CCC12CN(C(=O)[C@@H]3CCOC(C)(C)C3)CC(C)(CN(C(=O)[C@@H]3CCOC(C)(C)C3)C1)C2=O,C16889136_decoy,GCR,Decoy,0,-6.52414,-4.31,-1.12,-3.145015022836446
O=C(c1cccc(Br)c1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1,C17149830_decoy,GCR,Decoy,0,-10.1799,-3.51,-1.39,-4.403381311950828
O=C(c1ccoc1)N1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1,C23145463_decoy,GCR,Decoy,0,-11.6963,-4.24,-1.91,-5.197608849901214
CN1C(=O)/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S,C26771346_decoy,GCR,Decoy,0,-6.74682,-4.06,-1.58,-3.1292879621211864
C=CC1=N/C(=N\C(=O)c2ccc(Br)o2)c2ccccc2CN1/C=C(\C)Br,C27094105_decoy,GCR,Decoy,0,-8.05692,-4.38,-2.88,-3.9706720934694943
O=C([C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)N1CCN(c2ccc(Br)cn2)CC1,C28028786_decoy,GCR,Decoy,0,-11.4135,-2.42,-0.69,-4.055649329346753
C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3C)ccc2Cl)C[C@@H](C)O1,C30548787_decoy,GCR,Decoy,0,-10.7568,-4.09,-3.54,-4.666106218209548
O=C(c1cc(Cl)cc(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C30775192_decoy,GCR,Decoy,0,-10.9246,-7.56,-8.32,-8.24198442196691
CN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S,C32671009_decoy,GCR,Decoy,0,-5.52738,-3.47,-4.3,-2.4013367882908776
Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(=O)n2c1,C33439066_decoy,GCR,Decoy,0,-6.605,-3.67,-5.27,-3.297043265305615
CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)O[C@@H](C)C2)SC1=S,C33451599_decoy,GCR,Decoy,0,-5.35717,-2.65,-3.27,-2.474690111093149
Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1,C34729314_decoy,GCR,Decoy,0,-6.08797,-3.59,-4.58,-3.2266969449948992
Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1,C34729332_decoy,GCR,Decoy,0,-6.6892,-3.62,-2.15,-2.9548920955380926
CC(=O)C[C@H]1N(C2CCCCCC2)C(=O)[C@H]2N(c3ccc(Cl)cc3C)C(=O)[C@H]3CC(=O)O[C@]321,C35339940_decoy,GCR,Decoy,0,-11.6671,-3.34,-1.88,-4.571678473831225
Cc1nc2c(C(=O)N3CCc4ccccc4C3)nc(-c3cccs3)cc2n1[C@H]1CCS(=O)(=O)C1,C35682966_decoy,GCR,Decoy,0,-6.6454,-3.96,-1.77,-3.2657038324957552
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1,C35972735_decoy,GCR,Decoy,0,-10.327,-2.08,-1.46,-3.9894459569542846
O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(I)cc1,C19597012_decoy,GCR,Decoy,0,-10.3371,-3.74,-1.28,-4.123292106659712
C[C@H]1CCN(C(=O)CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)c2ccccc2S1,C36033864_decoy,GCR,Decoy,0,-10.3652,-2.61,-1.81,-3.713052660378253
CC(=O)N1CCN(C(=O)c2cc3scc(Br)c3n2Cc2ccc(F)c(F)c2)CC1,C37542865_decoy,GCR,Decoy,0,-10.3037,-4.44,-2.72,-4.790656082398374
Cc1ccccc1C(=O)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCOCC3)c2C1,C37580488_decoy,GCR,Decoy,0,-8.70081,-2.68,-5.14,-3.380123340962246
O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2,C08877229_decoy,GCR,Decoy,0,-6.37837,-5.27,-2.57,-3.59524825048366
Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(N2C[C@@H](C)O[C@@H](C)C2)n(C)c(=O)c1C#N,C12938813_decoy,GCR,Decoy,0,-7.7939,-4.59,-2.64,-3.871257726936839
Cc1c(S(=O)(=O)C(C)C)c2c(n1F)-c1nccc(I)c1C(=O)CC2,C39459151_decoy,GCR,Decoy,0,-9.69308,-2.66,-1.54,-3.383554147069465
CC(C)S(=O)(=O)[C@H]1CN(S(=O)(=O)C(C)C)[C@]2(CC[C@H](I)C2)C1,C39509458_decoy,GCR,Decoy,0,-9.19821,-3.1,-1.34,-3.898559985267696
CC(C)S(=O)(=O)[C@@H]1CCC[C@]2(CCC[C@H](I)N2S(=O)(=O)C(C)C)C1,C39527923_decoy,GCR,Decoy,0,-9.98164,-2.72,-3.6,-4.06428387799638
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)C[C@H](C)O1,C39716369_decoy,GCR,Decoy,0,-4.61745,-4.47,-2.31,-2.5762830704570017
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1,C40071953_decoy,GCR,Decoy,0,-9.55485,-4.36,-2.15,-4.317649500123475
O=C(c1ccc(I)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1,C45699782_decoy,GCR,Decoy,0,-9.23894,-2.21,-2.38,-3.306512192185316
CN1N=C(C(=O)Oc2c(Br)cc(Br)cc2Br)CCC1=O,C48387812_decoy,GCR,Decoy,0,-10.412,-8.87,-1.75,-9.004569459292187
CCN(CC#N)C(=O)Cn1cc(I)c(=O)c(I)c1,C49426976_decoy,GCR,Decoy,0,-8.95051,-6.72,-0.51,-13.685380216586038
C=CCOc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br,C59139236_decoy,GCR,Decoy,0,-11.8404,-7.91,-3.95,-11.481249846824127
O=C(COC1=NC=N[C@@H]2SC=C(c3ccc(Br)cc3)[C@@H]12)N1CCc2ccccc2C1,C62733043_decoy,GCR,Decoy,0,-8.58011,-4.45,,99.0
Cc1cc2c(c3c1C(=O)/C(=C/c1ccc(Br)cc1)O3)CN([C@H]1CCS(=O)(=O)C1)CO2,C41648632_decoy,GCR,Decoy,0,-7.16714,1.39,-3.23,-1.488701113809557
O=C1N=C(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)N=C2S[C@H]3CCCCC3=C12,C39791766_decoy,GCR,Decoy,0,-7.83114,-4.67,-0.73,-3.69117731124853
Cc1ccc(C2=C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)N=N2)c(C)c1,C63561890_decoy,GCR,Decoy,0,-10.4153,-3.13,-1.29,-4.105581357942455
CC1=C(S(=O)(=O)N2CCC(C)CC2)[C@H](C)C(C(=O)N2CCN(c3ccccc3F)CC2)=N1,C64491344_decoy,GCR,Decoy,0,-11.5143,-4.48,-1.53,-5.093907322593841
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)n2C)CC1,C64922477_decoy,GCR,Decoy,0,-10.7192,-4.35,-3.97,-4.98084315802081
CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1,C32639592_decoy,GCR,Decoy,0,-10.5922,-2.8,-3.83,-4.413876998406662
COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@H]2[C@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@H]23,C05640821_decoy,GCR,Decoy,0,-6.93018,-3.67,-1.99,-3.1294643819655508
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)C3CCC(C(C)(C)C)CC3)cc12,C04757595_decoy,GCR,Decoy,0,-11.9916,-7.38,-2.06,-6.581145905465864
Cc1ccc(C(=O)c2c(NC(=O)C[NH+]3CCCC[C@H]3C)sc3c2CCCC3)cc1,C04847599_decoy,GCR,Decoy,0,-9.68643,-3.34,-7.21,-4.418954501626738
C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)C12CC3CC(CC(C3)C1)C2,C07524878_decoy,GCR,Decoy,0,-10.0215,-9.38,-0.82,-17.660337927195283
CCOc1c(Br)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Br,C10436617_decoy,GCR,Decoy,0,-11.9675,-9.43,-3.74,-11.435181405600622
FC(F)(F)c1ccc(Cl)c(NC(=S)N2CCCC3=C[C@@H]4C[C@@H](C[NH+]5CCCC[C@@H]45)[C@H]32)c1,C15956121_decoy,GCR,Decoy,0,-12.0728,-3.75,-2.85,-5.117090008788458
COc1c(Br)cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Br,C20927099_decoy,GCR,Decoy,0,-11.3029,-7.9,-1.19,-21.249740687644927
Cc1ccc([C@H](CNC(=O)c2oc3cc(Br)ccc3c2C)[NH+]2CCCCCC2)cc1,C27662454_decoy,GCR,Decoy,0,-8.3232,-4.8,-2.01,-3.877720724355925
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCC[NH+](Cc2ccc(Cl)c(Cl)c2)C1,C30945579_decoy,GCR,Decoy,0,-11.5745,-9.03,-6.19,-9.701163689193644
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCC[NH+](Cc2c(Cl)cccc2Cl)C1,C30945581_decoy,GCR,Decoy,0,-12.1646,-4.03,-2.93,-5.272222131989918
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCC[NH+](Cc2c(Cl)cccc2Cl)C1,C30945583_decoy,GCR,Decoy,0,-11.9651,-4.26,-0.84,-5.359731163724837
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,C30945591_decoy,GCR,Decoy,0,-11.9956,-2.01,-3.28,-4.363675709912909
COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)c1cccc(Br)c1,C35231327_decoy,GCR,Decoy,0,-10.6721,-7.87,-2.24,-9.273906380165895
CC[NH2+][C@@H](c1cccc(Br)c1)c1cc(Cl)cc(Br)c1OC,C35509801_decoy,GCR,Decoy,0,-10.1201,-6.54,-0.65,-11.882799905711233
CCC[NH2+][C@H](c1cncc(Br)c1)c1cc(Br)sc1Br,C35585802_decoy,GCR,Decoy,0,-10.9397,-6.51,-1.8,-10.214023066010892
COc1c(Br)cc(C[NH2+][C@H](C)c2cccc(Br)c2)cc1Br,C36325177_decoy,GCR,Decoy,0,-11.0616,-8.03,-1.1,-15.203646253070431
CCC[NH+]1CCC[C@H]([C@@H](C)Nc2c(Br)cc(C)cc2Br)C1,C37221995_decoy,GCR,Decoy,0,-10.3059,-7.28,-1.15,-12.34209636033052
Cc1cc(C)c([C@H](C)Nc2c(Br)cc(Br)cc2Br)c(C)[nH+]1,C37248825_decoy,GCR,Decoy,0,-10.2279,-7.27,-2.97,-10.889065613916111
Clc1cc(I)ccc1NC1CCN(c2cccc[nH+]2)CC1,C37313685_decoy,GCR,Decoy,0,-9.82775,-8.7,-4.13,-7.315418488137999
COc1ccc([C@H](C)[NH2+][C@@H](C)c2sccc2Br)cc1Br,C37313924_decoy,GCR,Decoy,0,-10.6133,-7.26,-4.61,-11.697079993110524
CCc1nc(-c2ccccc2)nc(N2CC[NH2+]CC2)c1Cc1c(F)cccc1Cl,C37398886_decoy,GCR,Decoy,0,-9.00583,-4.13,-0.81,-4.606990622051013
CC[NH2+][C@H](c1cc(Br)ccc1F)c1ccc(OC)cc1Br,C37445279_decoy,GCR,Decoy,0,-9.70119,-7.54,-0.99,-9.331842103158328
Cc1oc2c(C[NH+]3CCCC[C@@H]3C)c(O)ccc2c(=O)c1-c1ccc(Br)cc1,C09075555_decoy,GCR,Decoy,0,-11.3931,-3.35,-3.5,-4.396022844214187
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)cc1Br,C38003060_decoy,GCR,Decoy,0,-10.8894,-7.16,-1.86,-8.568147098725202
COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)cc1Br,C38003062_decoy,GCR,Decoy,0,-10.0477,-6.8,-1.67,-8.684113910721539
C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cc2cc(Br)ccc2o1,C38018548_decoy,GCR,Decoy,0,-9.06898,-7.85,-0.76,-8.019271885743226
CSC1=NC2=[NH+]C(c3ccc(Cl)cc3)=C[C@H](c3ccc(Br)cc3)N2N1,C00634024_decoy,GCR,Decoy,0,-9.26407,-3.19,-1.49,-3.721888155936618
O=C(Nc1sc2c(c1[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1,C38545959_decoy,GCR,Decoy,0,-8.63687,-3.59,-2.79,-3.977751018439104
C[NH+]1CCC2(CCc3cc(-c4cccc(C(=O)N[C@@H]5CCCc6ccccc65)c4)ccc3O2)CC1,C39227587_decoy,GCR,Decoy,0,-9.7599,-3.45,-6.33,-3.898801307146236
Cc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)CC3,C39881474_decoy,GCR,Decoy,0,-12.8671,-4.38,-5.23,-5.487344926349804
CC(C)Oc1c(Br)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Br,C40730458_decoy,GCR,Decoy,0,-11.9387,-8.83,-4.68,-12.215205615241882
COc1nc2ccc(Br)cc2cc1[C@H](Nc1cccc(C)[nH+]1)c1ccccc1,C40891871_decoy,GCR,Decoy,0,-9.99758,-3.91,-0.96,-4.733504183284066
Cc1s/c(=N\C(=O)c2ccc(C[NH+](C)C)cc2)[nH]c1-c1ccc(Br)cc1,C49686593_decoy,GCR,Decoy,0,-9.70632,2.0,-3.24,-2.798556998831789
CCC[NH2+][C@@H]1CCCc2nc(-c3cc(Br)c(Br)o3)sc21,C50359218_decoy,GCR,Decoy,0,-10.5063,-2.16,-4.22,-4.001884376604345
C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1C=C(c3ccc4ccccc4c3)NN12,C01844349_decoy,GCR,Decoy,0,-10.3343,-4.71,-1.4,-4.245813677466827
C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1C=C(c3ccc4ccccc4c3)NN12,C01844351_decoy,GCR,Decoy,0,-7.13473,-4.36,-2.23,-2.827702798599838
CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1c(Br)cc(Br)cc1Br,C54627880_decoy,GCR,Decoy,0,-11.6276,-7.79,-0.23,-12.561761759994653
Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2[nH+]c3ccccc3n21,C09292397_decoy,GCR,Decoy,0,-10.8546,-2.72,-2.71,-3.9926433605738767
CC(C)(C)C1CCC(=NNC(=O)c2ccc(C[NH+]3CCc4ccccc4C3)cc2)CC1,C59472824_decoy,GCR,Decoy,0,-10.0725,-4.3,-7.02,-4.528949128731717
Cc1ccc(-c2[nH+]c3c(C)cccn3c2CC(=O)Nc2ccc(Br)cc2C)cc1C,C62042177_decoy,GCR,Decoy,0,-6.79259,-5.21,-2.85,-3.748774110401438
COc1ccc([C@@H]2NCCC3=c4ccccc4=[NH+][C@H]32)cc1CSc1nc2ccccc2s1,C63268788_decoy,GCR,Decoy,0,-6.84784,-6.97,-2.78,-4.850432308720663
O=C(NCc1ccccc1Cl)[C@@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1,C63505747_decoy,GCR,Decoy,0,-10.465,-8.49,-3.2,-10.394901547490544
O=C(Nc1ccccc1Br)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccc1F,C63571195_decoy,GCR,Decoy,0,-10.1874,-3.23,-0.77,-4.337852016906144
O=C(Nc1cccc(Br)c1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccccc1F,C63571198_decoy,GCR,Decoy,0,-7.72255,-4.98,-4.12,-4.013250984576211
O=C(Nc1ccc(Br)cc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccccc1F,C63571224_decoy,GCR,Decoy,0,-5.61818,-5.64,-3.05,-2.724150352947367
O=C(Nc1ccc(Br)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccc1F,C63571228_decoy,GCR,Decoy,0,-9.13191,-3.55,-2.45,-3.9544073470581433
O=C(Nc1ccc(Br)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccccc1F,C63571230_decoy,GCR,Decoy,0,-6.2378,-3.77,-4.06,-3.122266032418544
Cc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2ccccc2Cl)cc1,C63571415_decoy,GCR,Decoy,0,-8.91058,-2.77,-1.85,-3.505894771623669
O=C(Nc1ccccc1C(F)(F)F)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63571794_decoy,GCR,Decoy,0,-3.95206,-2.29,-3.52,-1.7858194033758077
O=C(Nc1ccc(F)c(Cl)c1)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@@H]1c1ccc(F)cc1,C63572462_decoy,GCR,Decoy,0,-10.8616,-2.83,-3.04,-4.096678650376116
CSc1cccc(NC(=O)N2CCC3=c4cc(Cl)ccc4=[NH+][C@@H]3[C@H]2c2ccc(F)cc2)c1,C63572691_decoy,GCR,Decoy,0,-6.10562,-3.56,-3.89,-2.8222432967328026
Oc1c([C@@H](c2ccccc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12,C00719392_decoy,GCR,Decoy,0,-10.1705,-4.9,-0.65,-4.886944387403837
C[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1,C06008148_decoy,GCR,Decoy,0,-9.83602,-3.29,-3.45,-4.025691883376613
c1cc2c(cc1C13CC4CC(CC(C4)C1)C3)c1c3n2C[NH2+]C[C@H]3CCC1,C05660266_decoy,GCR,Decoy,0,-6.41714,-3.57,-0.78,-2.1791057585049223
CC1=CC[C@@H](c2ccc(C)c(-c3ccccc3)n2)[NH2+][C@H]1c1ccccc1,C05812963_decoy,GCR,Decoy,0,-9.10533,-3.83,-1.48,-4.273455117428637
O=C(C[NH+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1,C13068712_decoy,GCR,Decoy,0,-9.69784,-8.52,-0.64,-7.925331196829089
Oc1c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc12,C00038270_decoy,GCR,Decoy,0,-8.9931,-2.11,-0.33,-3.586563768962725
O=C(C[NH+]1CCCC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl,C16445442_decoy,GCR,Decoy,0,-9.58625,-6.78,-4.93,-8.843391439462717
C(=C/c1ccccc1)\CN[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1,C20455517_decoy,GCR,Decoy,0,-8.14442,-4.65,-1.76,-4.443471287221081
C[NH+]1[C@@H]2CC[C@H]1CC(Nc1ccc(I)cc1)C2,C20524073_decoy,GCR,Decoy,0,-7.87053,-2.15,-0.68,-2.8267718269087614
CCn1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c2ccccc21,C20934942_decoy,GCR,Decoy,0,-9.77355,-9.18,-0.17,-18.47263231781153
C1=C(NCc2cccs2)c2ccccc2/C1=[NH+]/Cc1cccs1,C23001903_decoy,GCR,Decoy,0,-10.0421,-4.2,-2.09,-4.53749932920625
CSC1=[NH+]C2=C(CCC/C2=C\c2ccccc2)[C@H](c2ccccc2)N1,C06378751_decoy,GCR,Decoy,0,-9.82989,-2.06,-3.11,-3.5819829765432742
C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cc2ccccc2o1,C26313582_decoy,GCR,Decoy,0,-8.82786,-7.46,-0.98,-6.327857310330327
CN(c1cc(Br)ccc1C[NH2+]C1CC1)C1CCCCC1,C34823770_decoy,GCR,Decoy,0,-8.75676,-6.7,-0.99,-8.373897285064675
C[NH2+]Cc1ccc(Br)cc1-n1cnc2cc(C)c(C)cc21,C34825256_decoy,GCR,Decoy,0,-9.04071,-3.41,-0.28,-3.981613579236925
Brc1ccc(Cn2cccc2C[NH2+]C2CCCCC2)cc1,C35293120_decoy,GCR,Decoy,0,-9.49164,-3.58,-3.04,-4.430818827563839
C[NH2+][C@@H](c1ccc(Br)o1)c1c(C)c(C)c(C)c(C)c1C,C35467626_decoy,GCR,Decoy,0,-8.93389,-7.94,-2.86,-13.126810223936362
C[NH2+][C@@H](c1cncc(Br)c1)c1c(C)c(C)c(C)c(C)c1C,C35467656_decoy,GCR,Decoy,0,-9.60254,-7.92,-4.13,-10.281698813766663
CC[C@H](C)c1ccc([C@H]([NH2+]C)c2cncc(Br)c2)cc1,C35469045_decoy,GCR,Decoy,0,-9.48377,-7.59,-0.67,-12.379579655095052
C[NH2+][C@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl,C35501812_decoy,GCR,Decoy,0,-8.96816,-6.52,-0.87,-7.404756005591048
C[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)c1ccccc1Br,C35505252_decoy,GCR,Decoy,0,-8.64859,-8.04,-0.32,-9.44867868875176
CC[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)c1ccc(Br)s1,C35570644_decoy,GCR,Decoy,0,-8.85461,-7.98,-1.13,-8.562567357854446
CCC[NH2+][C@H](c1cncc(Br)c1)c1c(C)cc(C)cc1C,C35582094_decoy,GCR,Decoy,0,-9.17114,-7.21,-1.09,-10.598937069561796
CC(C)[NH2+]Cc1ccc(-c2ccccc2I)o1,C36819124_decoy,GCR,Decoy,0,-7.65826,-7.19,-0.38,-13.18626090448048
CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1,C36991679_decoy,GCR,Decoy,0,-8.78301,-6.97,-1.98,-8.176769053458175
Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1I,C37056204_decoy,GCR,Decoy,0,-8.62431,-3.54,-3.57,-3.639460829452185
C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1cc(Br)ccc1N(C)C,C37139571_decoy,GCR,Decoy,0,-8.86414,-6.94,-3.96,-9.555632424669966
CCC[NH+]1CCC([C@H](C)Nc2ccc(Br)c(C)c2)CC1,C37209389_decoy,GCR,Decoy,0,-9.1121,-6.82,-1.33,-9.418983794196294
C[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)C1,C37254040_decoy,GCR,Decoy,0,-9.54507,-8.35,-4.9,-9.878858457868889
C[C@@H](Nc1ccc(C[NH+](C)C)cc1)c1sccc1Br,C37318727_decoy,GCR,Decoy,0,-9.01319,-7.51,-1.48,-8.179883918319614
C[C@H]1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCC[C@@H]1C,C37324781_decoy,GCR,Decoy,0,-9.53872,-7.76,-0.97,-8.12118932835369
CCn1c([C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)nc2cc(Br)ccc21,C37441550_decoy,GCR,Decoy,0,-9.34834,-2.81,-0.1,-3.669744147339431
CN(Cc1cc(Br)cs1)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1,C37814102_decoy,GCR,Decoy,0,-9.80886,-7.12,-0.92,-14.089818076263263
Oc1ccc(Cl)cc1[C@H]1C=C(c2cccc(Br)c2)N=[NH+]1,C39707089_decoy,GCR,Decoy,0,-9.30887,-8.23,-0.75,-6.9235056368536965
CC[NH2+][C@H](c1ccc(Br)s1)[C@H]1Cc2ccccc2O1,C40237079_decoy,GCR,Decoy,0,-9.05499,-3.46,-1.83,-4.160805920028861
CCC[NH2+][C@@H](C)c1sc(-c2cc(Br)cs2)nc1C,C40995714_decoy,GCR,Decoy,0,-10.0674,-6.88,-5.73,-8.579478396352604
CCC[NH2+][C@@H](c1ccc(I)cc1)c1ccc(C)o1,C43611167_decoy,GCR,Decoy,0,-7.94667,-6.51,-1.91,-7.782120209523545
Cc1ccc(N[C@H]2CC[NH+](C(C)C)C2)cc1I,C45653728_decoy,GCR,Decoy,0,-8.1819,-7.0,-0.59,-9.97126940458107
Brc1ccc2sc(N[C@@H]3CC[NH+]4CCCC[C@H]34)nc2c1,C49569494_decoy,GCR,Decoy,0,-9.54634,-7.68,-0.86,-10.20774577408482
CCC[NH2+][C@@H]1CCN(c2ccc(Br)cc2Cl)[C@H](C)C1,C49712655_decoy,GCR,Decoy,0,-9.74991,-7.89,-4.01,-12.080578634692753
CCOc1ccc(C)cc1[C@@H]([NH2+]C)c1ccc(Br)s1,C51599233_decoy,GCR,Decoy,0,-8.61814,-6.33,-0.81,-7.877486628133739
C[NH2+][C@H](c1ccc2c(c1)CC(C)(C)O2)c1ccc(Br)o1,C51754987_decoy,GCR,Decoy,0,-8.97971,-8.05,-0.52,-8.061594771088433
CC[NH2+][C@H](C)c1ccc(-c2ccc(I)cc2)o1,C52924352_decoy,GCR,Decoy,0,-8.29874,-6.76,-1.0,-7.442294169945256
Cc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21,C13806025_decoy,GCR,Decoy,0,-9.04279,-4.25,-3.05,-3.797416677775863
Clc1ccc(Cl)c(SCCN2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1,C51359601_decoy,GCR,Decoy,0,-9.76207,-7.88,-1.95,-11.186609703917076
CC[NH2+][C@@H](C)c1ccc(Sc2nc(C)cs2)c(Br)c1,C61700109_decoy,GCR,Decoy,0,-10.1019,-6.66,-2.57,-7.795083399923546
CCC[NH2+][C@@H](c1ccc2c(c1)COC2)c1ccc(Br)s1,C62333747_decoy,GCR,Decoy,0,-8.91212,-6.64,-0.51,-12.550722884362184
C[NH2+]Cc1ccc(OCc2ccc(Cl)s2)c(Br)c1,C62700872_decoy,GCR,Decoy,0,-9.83817,-6.84,-0.88,-8.0961342730848
C[C@H](c1ccc(F)c(Br)c1)N1CC[NH2+]Cc2ccccc21,C62818288_decoy,GCR,Decoy,0,-8.95214,-8.61,-0.4,-11.277957259812515
C[C@H](NC(=O)CC1=c2ccccc2=[NH+]C1)c1ccc2c(c1)CCCC2,C64131418_decoy,GCR,Decoy,0,-8.16583,-9.33,-2.26,-7.975150267513333
O[C@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1,C01241347_decoy,GCR,Decoy,0,-10.0519,-4.05,-1.98,-4.631688079944197
Cc1ccc(C)c(NC(=S)N2CCC([NH+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1,C04668278_decoy,GCR,Decoy,0,-10.2091,-3.16,-1.7,-4.537874854793334
Cc1cc(C)cc(NC(=S)N2CCC([NH+](C)[C@H]3CCCC[C@@H]3C)CC2)c1,C03058554_decoy,GCR,Decoy,0,-10.7213,-3.87,-1.33,-4.950304666334407
O[C@@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1,C01241349_decoy,GCR,Decoy,0,-9.52821,-3.99,-2.15,-4.484412385524475
CC(C)Oc1ccc2c(c1)N(CC[C@@H]1CCCC[NH2+]1)c1ccccc1S2,C05011698_decoy,GCR,Decoy,0,-9.50719,-3.52,-2.6,-4.310863043275352
CC(C)Oc1ccc2c(c1)N(CC[C@H]1CCCC[NH2+]1)c1ccccc1S2,C01731585_decoy,GCR,Decoy,0,-9.5585,-3.08,-3.04,-4.026235580198751
[NH2+]=C1CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@@H](c3ccccc3)N12,C05811836_decoy,GCR,Decoy,0,-10.6001,-4.11,-2.17,-4.218846300078583
c1ccc(C[NH+]2CCC(Nc3ncnc4sc(-c5ccccc5)cc34)CC2)cc1,C07783056_decoy,GCR,Decoy,0,-10.0111,-3.99,-1.79,-4.387583100232918
Cc1ccc(Cl)c(NC(=O)C[NH+]2CCc3sccc3[C@@H]2C)c1Cl,C07878229_decoy,GCR,Decoy,0,-10.5393,-8.16,-4.76,-12.761430916390951
COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2,C08534850_decoy,GCR,Decoy,0,-10.3519,-8.52,-0.42,-14.918036036128283
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21,C09137352_decoy,GCR,Decoy,0,-10.3558,-3.61,-2.56,-4.477602176941812
Oc1cccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1,C09189036_decoy,GCR,Decoy,0,-11.1588,8.01,-0.9,-1.1703574949610795
C/C=C(\C)C[NH+]1CCc2c([nH]c3ccccc23)[C@H]1c1nc2ccccc2n1C,C12316087_decoy,GCR,Decoy,0,-10.532,-3.85,-2.68,-4.350401957563569
Brc1csc(CNCC2([NH+]3CCCCC3)CCCCC2)c1,C20306309_decoy,GCR,Decoy,0,-9.91349,-7.53,-1.38,-10.63662117345237
Cc1cc(Br)c(N[C@@H]2C[NH+]3CCC2CC3)c(Br)c1,C20486909_decoy,GCR,Decoy,0,-9.6628,-7.63,-1.58,-10.290412131692657
Cc1cc(-c2ccc(C[NH2+][C@@H](C)c3ccccc3)o2)ccc1Br,C20875750_decoy,GCR,Decoy,0,-9.26478,-9.52,-6.7,-7.6256335719999795
Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c(C)c2cc1Cl,C28288056_decoy,GCR,Decoy,0,-11.2904,-5.03,-1.41,-5.564808330547402
C[NH2+][C@H](C)c1c(F)cccc1Oc1ccc(I)cc1,C34666308_decoy,GCR,Decoy,0,-8.26319,-3.2,-1.12,-3.7484843655275824
C[NH2+][C@@H](C)c1ccc(Oc2ccc(I)cc2)c(F)c1,C34666321_decoy,GCR,Decoy,0,-7.90987,-2.58,-4.24,-3.244064373095526
CCc1cccc(C)c1NC1=[NH+]C(=S)N(C)C12C1CC3CC(C1)CC2C3,C35622340_decoy,GCR,Decoy,0,-9.61788,-2.36,-0.84,-3.815570661947116
C[C@H](Nc1ccc(Br)cc1Br)C1CC[NH+](C)CC1,C36956738_decoy,GCR,Decoy,0,-9.54,-7.45,-5.29,-9.242106558678731
C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1ccc(Br)cc1Br,C36957066_decoy,GCR,Decoy,0,-9.26488,-7.29,-0.63,-10.381719998564334
CC[NH+]1CCC[C@@H]([C@@H](C)Nc2cc(Cl)cc(Br)c2OC)C1,C36981605_decoy,GCR,Decoy,0,-10.3118,-7.69,-3.55,-13.263488333647109
CC[NH+]1CCC([C@@H](C)Nc2ccc(I)cc2C)CC1,C37057129_decoy,GCR,Decoy,0,-9.05458,-7.13,-4.54,-9.085241943085975
C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1cc(Br)ccc1Br,C37121889_decoy,GCR,Decoy,0,-9.27467,-7.38,-0.58,-9.489017157792611
CCC[NH+]1CCC([C@@H](C)Nc2ccc(I)cc2)CC1,C37221947_decoy,GCR,Decoy,0,-9.07751,-7.59,-5.23,-9.570109462912516
CCC[NH+]1CCC([C@H](C)Nc2ccc(I)cc2)CC1,C37221948_decoy,GCR,Decoy,0,-9.15169,-6.46,-0.44,-8.258120994545825
CCC[NH+]1CCC[C@@H]([C@@H](C)Nc2cccc(I)c2)C1,C37221968_decoy,GCR,Decoy,0,-9.28019,-6.84,-4.45,-9.625860255543856
CC(C)(C)[C@@H]([NH2+]Cc1ccc(I)o1)c1ccccc1,C37292268_decoy,GCR,Decoy,0,-8.09282,-7.22,-3.03,-8.292937616592454
Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(Br)s1,C38018317_decoy,GCR,Decoy,0,-9.98095,-6.45,-2.77,-8.30459290568519
CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(I)o2)cc1,C37295331_decoy,GCR,Decoy,0,-8.96819,-7.62,-1.35,-7.9401342788295555
CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(I)o2)cc1,C37295333_decoy,GCR,Decoy,0,-8.78513,-7.08,-1.4,-7.955188396625452
C[NH+](C[C@@H](O)CN1c2ccccc2Sc2ccccc21)C1CCCCC1,C39546122_decoy,GCR,Decoy,0,-10.0882,-9.03,-4.3,-9.841973615339
CC[NH2+][C@@H](c1ccc(F)c(Br)c1)c1nc(C(C)(C)C)cs1,C41191388_decoy,GCR,Decoy,0,-9.37433,-7.36,-1.14,-13.084616136448052
C[C@@H]1C[C@@H](C)C[NH+](Cc2cs/c(=N\C(=O)c3ccc(Cl)s3)[nH]2)C1,C22293840_decoy,GCR,Decoy,0,-11.3488,-8.21,-3.3,-9.62205954188929
C[C@H]([NH2+]Cc1csc(-c2ccsc2)n1)c1ccc(Br)cc1,C49967859_decoy,GCR,Decoy,0,-10.7991,-3.72,-3.98,-4.899349469942162
Clc1ccc(Cl)c(Oc2ncc(Br)cc2C[NH2+]C2CC2)c1,C51546061_decoy,GCR,Decoy,0,-9.68813,-3.53,-3.19,-4.530505765140537
C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1,C56795319_decoy,GCR,Decoy,0,-9.16516,-8.34,-2.95,-8.480142559067549
Brc1cc(CNCC2([NH+]3CCCCC3)CCCCC2)cs1,C35251343_decoy,GCR,Decoy,0,-9.88561,-7.25,-1.24,-11.108537303842429
Cc1cc(O)c(C[NH+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C(C)C,C16875788_decoy,GCR,Decoy,0,-9.59639,-4.05,-2.56,-4.653274233453485
C[NH2+][C@H](C)Cc1ccc(-c2cc(Br)ccc2Br)o1,C62770930_decoy,GCR,Decoy,0,-9.00541,-7.32,-2.18,-10.322196561022706
C[C@H]1CCC[NH+](Cc2c(O)ccc3c(Cc4ccc(Cl)cc4)noc23)C1,C41512601_decoy,GCR,Decoy,0,-9.50684,-3.26,-5.2,-3.932267214910901
O=C(NC1CCCC1)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1,C63530355_decoy,GCR,Decoy,0,-9.6449,-3.91,-1.58,-4.513848250603544
O=C(NC1CCCC1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1,C63571842_decoy,GCR,Decoy,0,-9.6096,-1.72,-3.92,-3.43221132550712
c1ccc([C@H]2CN[C@H](c3ccc4c(c3)OCO4)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63766737_decoy,GCR,Decoy,0,-9.91803,-3.14,-1.56,-3.5228095249202327
c1ccc([C@@H]2CN[C@@H](c3ccc4c(c3)OCO4)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63766738_decoy,GCR,Decoy,0,-8.93965,-4.3,-1.62,-2.3603830393941534
c1ccc(-c2cc3c(NCCC4=c5ccccc5=[NH+]C4)ncnc3s2)cc1,C63908335_decoy,GCR,Decoy,0,-10.093,-3.85,-2.68,-4.370595907927371
CC(C)[C@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)Nc1ccc(Cl)cc1,C64032395_decoy,GCR,Decoy,0,-9.2951,-4.19,-0.76,-4.416241279394947
O=C(CC1=c2ccccc2=[NH+]C1)N[C@H](c1ccccc1)c1cc2ccccc2o1,C64352883_decoy,GCR,Decoy,0,-5.78048,-4.18,-3.03,-3.002917176027789
CC[C@@H]1[C@@H]2[NH+]=c3ccccc3=C2CCN1C(=O)Nc1ccc(C)c(Cl)c1,C64622747_decoy,GCR,Decoy,0,-9.85218,-3.65,-4.46,-4.111079441577576
Cc1ccccc1OCC[NH+]1COc2ccc3oc4ccccc4c3c2C1,C04788447_decoy,GCR,Decoy,0,-8.37538,-9.25,-3.89,-7.013669810386503
CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=[NH+]\c1cccc2ccccc12,C05719500_decoy,GCR,Decoy,0,-9.00613,-10.42,-0.85,-13.851582260267088
Cc1cc(C)c2/c(=[NH+]/c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)oc2c1,C12126466_decoy,GCR,Decoy,0,-4.80334,-4.39,-0.98,-2.4560503379783296
C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(Cl)c(Cl)c1,C21512642_decoy,GCR,Decoy,0,-9.78021,-3.99,-1.22,-6.668931094568201
C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(Cl)c(Cl)c1,C21512644_decoy,GCR,Decoy,0,-10.0063,-3.46,-0.89,-4.322523120000962
C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(Cl)c(Cl)c1,C21808217_decoy,GCR,Decoy,0,-9.42763,-7.89,-0.79,-8.313022232639023
CSc1ccc(C[NH+]2CCCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1,C22078019_decoy,GCR,Decoy,0,-11.2618,-1.49,-2.78,-3.604090434601453
Cc1ccc(-c2cs/c(=[NH+]\c3ccccc3)n2N2CCOCC2)cc1C,C22761521_decoy,GCR,Decoy,0,-9.62744,-8.96,-0.87,-8.398985273606371
C=CCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=[NH+]\c1ccccc1,C27299011_decoy,GCR,Decoy,0,-10.1592,-5.27,-1.88,-7.329206657341021
Cc1ccc(-c2noc(-c3cc(N4CCC[C@@H](C)C4)[nH+]c4ccccc34)n2)cc1,C33140351_decoy,GCR,Decoy,0,-6.12648,-4.77,-3.41,-2.9558983198179187
Clc1ccc(-c2noc(-c3cc(N4CCCC4)[nH+]c4ccccc34)n2)cc1,C33282535_decoy,GCR,Decoy,0,-9.48763,-3.33,-3.52,-3.993814855560837
CCOc1ccc2oc(-c3ccc(C)cc3)c/c(=[NH+]/c3nncs3)c2c1,C01992868_decoy,GCR,Decoy,0,-6.68465,-1.99,-0.93,-2.812242890633017
CC[C@@H]([NH2+]C)c1ccc(-c2c(Cl)cc(Br)cc2Cl)s1,C34673104_decoy,GCR,Decoy,0,-10.5824,-7.34,-0.49,-13.944603207694572
C[NH2+][C@H](c1cccc(I)c1)c1ccc2c(c1)CCCC2,C35460117_decoy,GCR,Decoy,0,-9.89207,-8.07,-0.79,-8.990841444158745
C[NH2+][C@@H](c1cccc(I)c1)c1c(C)c(C)cc(C)c1C,C35491100_decoy,GCR,Decoy,0,-9.38495,-7.11,-0.88,-8.880062425509179
CC[NH2+][C@@H](c1cc(C)ccc1C)c1ccccc1I,C35546481_decoy,GCR,Decoy,0,-8.17822,-7.13,-2.59,-9.765879388490944
CC[NH2+][C@@H](c1cccc(I)c1)c1ccc(Cl)s1,C35553043_decoy,GCR,Decoy,0,-8.89096,-6.11,-0.69,-7.859578694917634
C[C@H]([NH2+][C@H](C)c1sccc1Br)c1ccc(Cl)c(Cl)c1,C37220715_decoy,GCR,Decoy,0,-10.3791,-7.34,-0.8,-9.166567647703353
C[NH2+][C@@H](c1ccc(Br)cc1Cl)c1c(C)c(C)cc(C)c1C,C37366100_decoy,GCR,Decoy,0,-9.44458,-7.24,-2.02,-12.860204836812189
CC[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccc(Br)cc1Cl,C37366302_decoy,GCR,Decoy,0,-8.78941,-6.47,-0.99,-7.969763470989607
CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Br)cc1Cl,C37366324_decoy,GCR,Decoy,0,-9.23174,-5.71,-1.27,-7.448554727818478
CC1(C)CC(=O)C2=C(C1)N=C(c1ccc(Cl)cc1)[C@H]1[NH+]=c3ccccc3=C21,C38545679_decoy,GCR,Decoy,0,-10.5979,-4.57,-2.15,-4.0249605313856005
CC(C)[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)c1cccs1,C37302537_decoy,GCR,Decoy,0,-10.5519,-7.49,-2.06,-13.397812357006226
S=C1N=[NH+][C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)c(Cl)c1,C38915087_decoy,GCR,Decoy,0,-11.047,-8.69,-0.53,-9.885650433865944
S=C1N=[NH+][C@H](c2ccccc2)N1/N=C/c1c2ccccc2cc2ccccc12,C38926012_decoy1,GCR,Decoy,0,-10.1275,-8.05,,-7.994306921937116
Cc1ccc(C(=O)N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)c2ccc(C)cc2C)cc1,C38935793_decoy,GCR,Decoy,0,-9.53462,-2.71,-4.47,-3.882110184243592
S=C1N=[NH+][C@H](c2ccccc2Cl)N1/N=C/c1cccc(Cl)c1Cl,C38984931_decoy,GCR,Decoy,0,-9.95733,-7.48,-1.87,-7.343033439128082
S=C1N=[NH+][C@H](c2ccccc2Br)N1/N=C/c1ccc(Cl)c(Cl)c1,C38989865_decoy,GCR,Decoy,0,-10.7027,-2.96,-1.96,-4.269295077181066
CC(C)(C)c1ccc([C@@H]2[NH+]=NC(=S)N2/N=C/c2cccc(Cl)c2)cc1,C38994619_decoy,GCR,Decoy,0,-7.23428,-4.92,-3.63,-3.621245440976781
S=C1N=[NH+][C@H](c2ccc(Cl)cc2Cl)N1/N=C/c1c(Cl)cccc1Cl,C39012731_decoy,GCR,Decoy,0,-10.7572,-8.01,-3.02,-12.17087134611544
Cc1ccc(C)c(N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)C(C)(C)C)c1,C39024618_decoy,GCR,Decoy,0,-9.03151,-4.35,-3.66,-4.391207480709996
O=C1[NH+]=c2cc(Cl)ccc2=C(c2ccccc2)[C@H]1Sc1nc2ccccc2s1,C39243069_decoy,GCR,Decoy,0,-8.9405,-3.45,-3.23,-3.619894598181425
CC(C)N1C(=O)/C(=C/C2=c3ccccc3=[NH+]C2)S/C1=N\c1ccccc1,C39345204_decoy,GCR,Decoy,0,-9.91962,-1.49,-3.84,-3.5399110968406293
CCCCN1C(=O)/C(=C/C2=c3ccccc3=[NH+]C2)S/C1=N\c1ccccc1,C39351923_decoy,GCR,Decoy,0,-9.88628,-8.69,-3.58,-12.015166936706532
CC[C@@H]1CCCCN1c1ccc2cccc(OCc3ccc(C)cc3)c2[nH+]1,C36648192_decoy,GCR,Decoy,0,-8.77725,-3.98,-2.52,-4.30338706042648
C[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2Br)C1,C41641808_decoy,GCR,Decoy,0,-9.43524,-7.28,0.02,-12.7275151812367
C[C@H]([NH2+][C@@H]1CCSC1)C12C[C@@H]3C[C@@H](CC(c4ccc(Cl)cc4)(C3)C1)C2,C43164399_decoy,GCR,Decoy,0,-12.004,-9.37,-2.34,-12.504182783022372
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(I)cc2)s1,C49160652_decoy,GCR,Decoy,0,-8.79827,-6.42,-1.25,-7.0419602728391935
Cc1ccc(C2=Nc3[nH+]c4ccccc4n3[C@H](c3ccccc3F)C2)cc1C,C13812825_decoy,GCR,Decoy,0,-8.87573,-5.17,-1.52,-6.4736372557818935
S=C1[NH+]=N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1Cl,C38914686_decoy,GCR,Decoy,0,-10.658,-7.42,-0.69,-8.950437472070124
CC(C)(C)c1ccc([C@@H]2N=[NH+]C(=S)N2/N=C/C(Cl)=C\c2ccccc2)cc1,C38917877_decoy,GCR,Decoy,0,-8.43802,-3.89,-5.53,-4.012300561782364
S=C1[NH+]=N[C@H](c2ccccc2)N1/N=C/c1c2ccccc2cc2ccccc12,C38926012_decoy2,GCR,Decoy,0,-9.71095,-7.61,,-7.7527878807655055
O=C(c1ccc(Cl)c(Cl)c1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(Cl)cc1,C63503343_decoy,GCR,Decoy,0,-7.21246,-1.85,-4.16,-2.305669550791033
O=C([C@@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1)N1CCCCCC1,C63530271_decoy,GCR,Decoy,0,-10.1325,-3.45,-1.54,-4.269924537159776
CSc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc(Cl)cc2)cc1,C63697444_decoy,GCR,Decoy,0,-10.0034,-3.32,-2.37,-4.14502604998538
S=C1[NH+]=N[C@H](c2ccccc2Cl)N1/N=C/C(Cl)=C/c1ccccc1,C38984811_decoy,GCR,Decoy,0,-8.97056,-3.6,-2.0,-3.867385793523905
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)c2ccc(Cl)cc2)cc1,C63948766_decoy,GCR,Decoy,0,-5.78329,-2.22,-3.64,-2.330341667745869
S=C1[NH+]=N[C@@H](c2ccccc2Cl)N1/N=C/c1c2ccccc2cc2ccccc12,C38995280_decoy,GCR,Decoy,0,-9.77883,-4.7,-0.15,-4.41852105507555
O=C(/C=C/c1c(F)cccc1Cl)[C@H]1C(=O)[NH+]=c2ccccc2=C1c1ccccc1,C58324555_decoy,GCR,Decoy,0,-8.95458,-5.38,-1.88,-4.529038919702575
Cc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1C1=c2ccccc2=[NH+]C1,C64337966_decoy,GCR,Decoy,0,-8.54286,-4.53,-3.75,-4.191303375086703
FC(F)(F)c1ccc([C@H]2[NH2+]Cc3ccc4c(c3-n3cccc32)OCO4)cc1,C04037248_decoy,GCR,Decoy,0,-8.12768,-3.41,-0.57,-3.367735615479225
COC(=O)[C@@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1[NH2+]2,C05997419_decoy,GCR,Decoy,0,-8.98879,-3.11,-1.42,-3.781679367824304
[NH2+]=c1c2c3c(sc2ncn1CCc1ccc(Cl)cc1Cl)CCCC3,C06240481_decoy,GCR,Decoy,0,-11.02,-2.3,-1.0,-3.810786562998176
Cc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCc4ccccc4C3)C2)c1C,C06877384_decoy,GCR,Decoy,0,-9.46119,-3.54,-1.74,-4.33116018342454
Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)c1C,C08338485_decoy,GCR,Decoy,0,-8.31557,-4.68,-1.68,-4.224040697483707
O=C(C[NH+]1CCc2sccc2C1)Nc1ccc(I)cc1,C10341025_decoy,GCR,Decoy,0,-10.0425,-5.87,-12.94,-10.390420277878112
CC(=O)c1cccc(C[NH+]2CCc3c([nH]c4ccccc34)[C@H]2c2cccc(C)n2)c1,C11874013_decoy,GCR,Decoy,0,-8.15322,-4.06,-2.1,-3.836665533266528
C[C@H]1c2cccn2CC[NH+]1CC(=O)Nc1ccc(Br)cc1Cl,C12773206_decoy,GCR,Decoy,0,-9.67527,-3.26,-0.63,-4.068857763519725
Cc1cccc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2ccc(C)s2)n1,C12448829_decoy,GCR,Decoy,0,-9.15149,-3.7,-0.88,-3.905255566055645
OCC#Cc1csc(CN2CC[C@]3(CCC[NH+](CC4CCCCC4)C3)C2)c1,C20540548_decoy,GCR,Decoy,0,-12.4634,-3.95,-1.31,-5.134971710918255
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1,C32688930_decoy,GCR,Decoy,0,-9.74226,-9.05,-4.32,-9.391689280384158
C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1,C32843285_decoy,GCR,Decoy,0,-10.108,-4.17,-5.56,-4.546781220560721
N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12,C32931241_decoy,GCR,Decoy,0,-10.4269,-3.48,-3.21,-4.525352021406831
C[NH2+][C@@H](c1ccc(Br)o1)c1cc(Br)ccc1OC,C35456002_decoy,GCR,Decoy,0,-8.24259,-6.39,-1.35,-7.969054973357466
C[NH2+][C@@H](c1cc(Br)ccc1Cl)c1ccc(OC)cc1OC,C35488740_decoy,GCR,Decoy,0,-8.75446,-6.56,-0.28,-13.149819592714964
C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1cc(Br)sc1Br,C35502675_decoy,GCR,Decoy,0,-10.0649,-6.54,-1.15,-8.536851648330405
C[C@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1ccc(Br)cc1Cl,C36266205_decoy,GCR,Decoy,0,-8.91709,-2.68,-0.78,-3.403974026870125
Cn1cc[nH+]c1[C@H](Nc1cccc(I)c1)c1cccs1,C37247839_decoy,GCR,Decoy,0,-9.48241,-7.43,-2.42,-9.098970625866084
Cc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)N=C3[NH+]=CNN32)cc1,C00631199_decoy,GCR,Decoy,0,-10.1039,11.83,-0.08,0.4749295923230937
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1,C38849124_decoy,GCR,Decoy,0,-10.0555,-3.27,-0.92,-4.70696803865434
CCc1ccc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2C[C@@H]2N=CC(C)=N2)cc1,C39421234_decoy,GCR,Decoy,0,-10.1286,-4.31,,99.0
CN1CCC([NH+]2CCC[C@H](NC(=O)c3cccc(-c4ccccc4F)c3)C2)CC1,C14973946_decoy,GCR,Decoy,0,-10.1257,-4.86,-6.55,-4.560134545274256
CC(C)[C@]12CCN3C[C@](C)(C[NH+](C1)[C@@H]3c1ccc(Br)cc1)[C@@H]2O,C39951422_decoy,GCR,Decoy,0,-9.86978,21.69,,99.0
CC[NH+]1CCC[C@H](NCc2cc(Br)cc(Br)c2OC)C1,C40502777_decoy,GCR,Decoy,0,-9.78401,-6.65,-4.44,-9.578287120798477
CC[NH+]1CCC[C@@H](NCc2cc(Br)c(OC)c(Br)c2)C1,C40502828_decoy,GCR,Decoy,0,-10.4615,-7.07,-5.45,-10.712061782972008
C[NH+](CCOc1ccc(Cl)cc1Br)C1C[C@H]2CC[C@@H](C1)N2,C40746853_decoy,GCR,Decoy,0,-9.61939,-7.47,-2.8,-12.314607705842754
COc1ccc([C@@H]([NH2+]C(C)C)c2nc(C)c(C)s2)cc1Br,C41196733_decoy,GCR,Decoy,0,-9.28201,-7.58,-1.18,-17.160189032683313
O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2Cl)C1,C44932918_decoy,GCR,Decoy,0,-11.7326,-4.83,-2.81,-5.094154535523435
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH+](Cc2ccc(Cl)c(Cl)c2)C1,C44932928_decoy,GCR,Decoy,0,-10.3403,-5.87,-2.99,-5.295518934113232
CSc1ccc([C@@H]2[NH2+]Cc3c(C)nn(-c4ccccc4)c3-n3cccc32)cc1,C45796016_decoy,GCR,Decoy,0,-10.4015,-9.69,-3.36,-8.94919390375775
C[C@H](NC(=O)[C@H](C)[NH+]1CCc2sccc2C1)c1ccc(Cl)cc1Cl,C45841821_decoy,GCR,Decoy,0,-11.2207,-6.66,-0.65,-12.310395697924672
CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(I)cc2)CC1,C48400538_decoy,GCR,Decoy,0,-8.75616,11.01,-0.65,1.2688890886221145
Cc1cc(Br)c(NC(=O)C[NH+]2C[C@H]3CC[C@@H]2C3)c(Br)c1,C48839751_decoy,GCR,Decoy,0,-9.7334,-7.24,-1.94,-11.37305230363462
C[C@H]1CCCC[NH+]1CCCNC(=O)c1cc(Br)c(Br)s1,C49086404_decoy,GCR,Decoy,0,-10.5322,-7.57,-1.77,-13.22957143108636
CC1CC[NH+]([C@H](C)CNC(=O)c2cc(Br)c(Br)s2)CC1,C49378865_decoy,GCR,Decoy,0,-9.88934,-7.57,-1.2,-10.914127079037833
Brc1cc(-c2ncc(C[NH2+]C3CC3)s2)oc1Br,C50359195_decoy,GCR,Decoy,0,-9.76282,14.36,-4.31,1.355752255491732
O=C1/C(=C/c2ccc(Br)cc2)Oc2c1ccc(O)c2C[NH+]1CCCC1,C02230941_decoy,GCR,Decoy,0,-10.545,-3.21,-2.41,-4.1428841474502685
C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CC[NH+]1Cc1ccc(F)c(F)c1,C57776471_decoy,GCR,Decoy,0,-9.23552,-4.29,-2.89,-4.464132070007089
Clc1ccc(OCCN2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Br)c1,C51359917_decoy,GCR,Decoy,0,-9.68615,-8.03,-3.33,-11.56711497536148
C[NH2+][C@H](c1cc(Br)ccc1Br)c1cccnc1OC,C61443572_decoy,GCR,Decoy,0,-8.93861,-7.16,-0.87,-9.453514629989362
O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[NH+](Cc2cccs2)CC1,C63352120_decoy,GCR,Decoy,0,-9.47899,-3.54,-5.72,-4.426619173545868
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=C[C@@H]2S[C@H]3CCCC[C@H]3[C@@H]2CS1,C63563100_decoy,GCR,Decoy,0,-10.3641,-4.03,-1.82,-4.902778263616223
CCc1ccc([C@H]2C3=Nc4ccccc4[C@H]3CCN2Cc2[nH]c(C)c[nH+]2)cc1,C20992479_decoy,GCR,Decoy,0,-8.39428,-2.73,-1.97,-3.518635983697106
CSc1cccc(NC(=O)[C@H]2CCCN(c3[nH+]ccc4sccc34)C2)c1,C65129153_decoy,GCR,Decoy,0,-11.3462,-3.87,-0.88,-4.774459949625591
O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(F)c3cccnc23)CC1,C65964359_decoy,GCR,Decoy,0,-10.1474,-4.7,-1.13,-4.7291676468953465
C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cc(F)c(Cl)cc1Cl,C66175000_decoy,GCR,Decoy,0,-9.41508,-9.54,-4.41,-13.401096402266504
CC[NH+](CC)C1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1,C66395211_decoy,GCR,Decoy,0,-9.36056,-1.88,-1.12,-3.755597275634692
Cn1cc(C[NH2+]Cc2cc(Br)cs2)c(-c2ccccc2Cl)n1,C66905545_decoy,GCR,Decoy,0,-10.2131,-2.21,-2.25,-3.892840399099156
Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)cc1,C66993389_decoy,GCR,Decoy,0,-9.33719,-3.9,-3.0,-4.082081092412301
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1,C67025701_decoy,GCR,Decoy,0,-9.62221,-2.39,-4.02,-4.556461415134252
CCC[NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl,C04780343_decoy,GCR,Decoy,0,-10.2814,-7.0,-3.42,-9.51103195832889
C[C@@H]1C[NH+]=C([C@H](c2ccccc2)c2ccc(Br)cc2)N1CCO,C01696362_decoy,GCR,Decoy,0,-9.31785,-3.48,-2.67,-4.221613186552282
O=S1(=O)CC[C@H]([NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)C1,C06227559_decoy,GCR,Decoy,0,-7.76277,-3.49,-2.2,-3.864194256019061
Cc1ccsc1C[NH+](C)CC(=O)Nc1ccc(Br)cc1F,C08309837_decoy,GCR,Decoy,0,-9.20299,-6.34,-1.34,-6.763102027402349
Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[NH+](Cc1ccsc1)C2,C12218811_decoy,GCR,Decoy,0,-10.5975,-2.3,-4.76,-3.799440739787691
CC1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)CC1,C12291635_decoy,GCR,Decoy,0,-10.3137,-4.79,-5.15,-4.739927607813699
O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCCCC1,C12420303_decoy,GCR,Decoy,0,-9.32874,-7.4,-0.35,-16.05886475210116
CC(C)c1ccc(C[NH+]2CCC[C@]3(CCN(C(=O)c4ccc(O)cc4)C3)C2)cc1,C12441173_decoy,GCR,Decoy,0,-9.5851,-4.74,-2.48,-4.983695755038907
O=c1[nH]c(-c2cccc(C[NH+]3CCc4sccc4C3)c2)nc2c1CCCC2,C19732060_decoy,GCR,Decoy,0,-10.665,-9.05,-1.36,-7.804654937328712
CSc1ccc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)cc1,C19791485_decoy,GCR,Decoy,0,-10.5641,-5.34,-7.51,-5.228682642025702
CCOc1c(Br)cc(Br)cc1CN[C@@H]1C[NH+]2CCC1CC2,C20476887_decoy,GCR,Decoy,0,-9.54483,-6.84,-1.47,-11.652025713407095
OCCN1CC[NH+]([C@H]2Cc3ccccc3Sc3cc(Cl)c(F)cc32)CC1,C22459538_decoy,GCR,Decoy,0,-9.93302,-3.55,-1.72,-4.068778659265016
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1,C32688933_decoy,GCR,Decoy,0,-10.7809,-7.9,-2.67,-16.11483129070004
C[NH2+][C@H](c1ccc(Br)o1)c1cc(Br)ccc1OC,C35456007_decoy,GCR,Decoy,0,-8.51491,-6.7,-1.73,-11.911986086035451
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)cc1Cl,C36632442_decoy,GCR,Decoy,0,-9.3493,-3.48,-5.14,-3.901105366994002
C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(I)cc1,C37217676_decoy,GCR,Decoy,0,-8.85851,-7.64,-0.99,-11.689191544132768
CCOc1c(Br)cc(C[NH2+]C2CCOCC2)cc1Br,C37269462_decoy,GCR,Decoy,0,-9.89965,-6.89,-3.91,-10.474498856380531
Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(I)cc2)cnn1C,C37321771_decoy,GCR,Decoy,0,-8.28802,-5.79,-4.13,-7.737259786582723
C=C1C2=c3ccccc3=[NH+]C2=C2C(=O)CC(C)(C)C[C@@H]2N1Nc1ccccc1,C38550034_decoy,GCR,Decoy,0,-6.82168,-6.2,-1.58,-3.443951731693504
OCCN1CC[NH+]([C@H]2Cc3ccccc3Sc3c2ccc(Cl)c3Cl)CC1,C22867682_decoy,GCR,Decoy,0,-11.4237,-4.05,-1.84,-7.311280823261802
CCc1ccc2c(c1)S[C@@H](C(=O)N/N=C/C1=c3ccccc3=[NH+]C1)[C@H]2Cl,C39405139_decoy,GCR,Decoy,0,-9.87968,-7.59,-5.04,-6.643980409958955
C[NH2+][C@H](C)c1sc(-c2cc(Br)c3c(c2)OCCO3)nc1C,C40995465_decoy,GCR,Decoy,0,-9.94989,-7.38,-1.42,-8.252322611380922
C[C@@H]([NH2+]CCn1cccn1)c1ccc(Br)cc1Br,C42539491_decoy,GCR,Decoy,0,-8.9548,-6.33,-2.16,-9.63067789768145
C[C@@H](CNC(=O)c1cc(Br)c(Br)s1)C[NH+]1CCCCC1,C49092689_decoy,GCR,Decoy,0,-10.6618,-6.96,-1.56,-7.33407867539801
C[NH2+][C@H](C)c1sc(-c2cc(Br)c(Br)o2)nc1C,C50359143_decoy,GCR,Decoy,0,-9.54309,-6.98,-2.35,-7.120753217959389
CC[NH2+]Cc1ccc(Br)cc1-n1nc(C)c(Br)c1C,C50593822_decoy,GCR,Decoy,0,-9.21055,-6.55,-0.64,-9.516386294813854
C[NH2+][C@H](c1ccccc1)c1nnc(-c2cccc(I)c2)o1,C50617951_decoy,GCR,Decoy,0,-8.84699,-8.43,-0.85,-10.76856344434233
CNc1c(COc2c(Br)cccc2Br)c(C)[nH+]n1C,C50832118_decoy,GCR,Decoy,0,-8.96366,-6.69,-2.96,-8.608292813822926
CC[NH2+][C@H](C)c1cnc(-c2cc(Br)c3c(c2)OCCO3)s1,C54160225_decoy,GCR,Decoy,0,-9.42102,-3.0,-3.34,-3.758835973720575
CC[NH+]1CCC(NCc2cc(Br)c(OC)c(Br)c2)CC1,C37991342_decoy,GCR,Decoy,0,-10.4375,-7.47,-5.43,-11.32986367456382
CC[NH+]1CCC(NCc2cc(Br)cc(Br)c2OC)CC1,C22778746_decoy,GCR,Decoy,0,-10.4782,-7.15,-1.65,-10.50108351561381
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2F)CC1,C15610105_decoy,GCR,Decoy,0,-9.84246,-3.55,-3.51,-4.497805325487518
O=C(NCC(F)(F)F)[C@H]1CCC[NH+]1Cc1sc2ccccc2c1Cl,C58356034_decoy,GCR,Decoy,0,-8.63817,-8.51,-2.09,-8.980247862477254
C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3Br)cc2F)CC1,C57495957_decoy,GCR,Decoy,0,-9.28374,-1.82,-1.01,-4.198089476354269
CC[NH2+][C@H](c1cc(Br)ccc1Br)c1cccnc1OC,C61443876_decoy,GCR,Decoy,0,-8.77614,-6.82,-1.0,-10.196751816961308
CC(C)CC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1,C62257129_decoy,GCR,Decoy,0,-9.74023,-6.53,-2.28,-7.47417427834553
Ic1ccccc1C[NH2+]Cc1ccccc1-n1cccn1,C62425912_decoy,GCR,Decoy,0,-7.43614,-7.55,-2.02,-7.450785706902106
Cc1cc(Br)ccc1Oc1ncc(C[NH2+]C(C)C)cc1Cl,C63062468_decoy,GCR,Decoy,0,-9.92488,-7.55,-5.16,-7.211307302066244
Cc1cc(N2CCCC2)ccc1NC(=O)C1=c2cc(Br)ccc2=[NH+]C1,C63165420_decoy,GCR,Decoy,0,-10.5392,-2.93,-1.05,-3.893704560312339
C=CCN1C(=O)[C@@]2(NCCC3=c4ccccc4=[NH+][C@@H]32)c2cc(Br)ccc21,C63385724_decoy,GCR,Decoy,0,-9.64794,-3.21,-0.32,-3.608829993011897
O=C(NCCSC1=c2ccccc2=[NH+]C1)c1ccc(Br)cc1,C63437377_decoy,GCR,Decoy,0,-8.10334,-6.47,-3.52,-7.451758782836895
COc1ccc2c(c1)=C[C@@H](C(=O)Nc1ccc(I)cc1F)[NH+]=2,C63608977_decoy,GCR,Decoy,0,-7.63921,-2.71,-1.12,-3.0799040643744453
O=C(NCCSC1=c2ccccc2=[NH+]C1)c1ccccc1Br,C63654713_decoy,GCR,Decoy,0,-8.55179,-7.96,-1.21,-8.048988069357657
C[C@H]1N=C(c2ccc(NC(=O)C3=c4cc(Br)ccc4=[NH+]C3)cc2)CS1,C63930852_decoy,GCR,Decoy,0,-11.5893,-3.18,-0.67,-4.928180978399608
OCc1ccc(CN2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c2ccccc2F)o1,C64103173_decoy,GCR,Decoy,0,-9.44483,-4.1,-2.3,-4.320982417189532
CCc1ccc([C@H]2[C@H]3N=C4C=CC=C[C@H]4[C@@H]3CCN2Cc2[nH]c[nH+]c2C)cc1,C64640178_decoy,GCR,Decoy,0,-6.15177,-8.56,-4.36,-4.881101977394496
N#Cc1c(NC(=O)CC[NH+]2CC3C[C@@H]4CC2C[C@H](C3)C4)sc2c1CCC2,C65967859_decoy,GCR,Decoy,0,-10.7528,-5.62,-2.14,-5.0564831774955294
O=C(Nc1cccc(Cl)c1SC(F)F)N1CC[C@@H]([NH+]2CCCC2)C1,C66161856_decoy,GCR,Decoy,0,-8.1988,-2.84,-5.24,-3.7217579978408177
Ic1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCO2,C67011350_decoy,GCR,Decoy,0,-8.66227,-7.27,-0.66,-7.499406944726429
Cc1c(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)oc2ccc(Br)cc12,C67636639_decoy,GCR,Decoy,0,-10.2094,-3.15,-3.27,-4.417320102561264
O=C(C[NH2+]C1CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl,C04573816_decoy,GCR,Decoy,0,-11.0714,-3.7,-0.67,-4.7297243089796615
O=C1C[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1,C04904839_decoy,GCR,Decoy,0,-10.0349,-4.67,-0.31,-4.57228222208102
O=C(c1ccc2cc[nH]c2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,C01501739_decoy,GCR,Decoy,0,-8.7598,-4.38,-2.42,-4.578465928702094
O=C(NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1cccs1)c1ccc(Cl)cc1,C12499413_decoy,GCR,Decoy,0,-9.51688,-3.49,-1.39,-4.05024499405587
FC(F)c1cc(-c2ccc(Br)cc2)nc(N2CC[NH2+]CC2)n1,C02554297_decoy,GCR,Decoy,0,-8.70511,-5.77,-1.35,-8.139937446333882
CC(C)N1CCC([NH+]2CCC[C@@H](C(=O)NC3C4CC5CC(C4)CC3C5)C2)CC1,C14953860_decoy,GCR,Decoy,0,-9.81084,-3.07,-2.54,-4.103887184380096
Clc1ccc([C@@H](c2nc3ccccc3s2)N2CC[NH2+]CC2)c(Cl)c1,C19932198_decoy,GCR,Decoy,0,-10.5289,-6.92,-2.13,-8.445508614231676
COc1ccc(Cl)cc1[C@H](c1nc2ccccc2s1)N1CC[NH2+]CC1,C19932636_decoy,GCR,Decoy,0,-10.2969,-6.89,-1.96,-11.250815953678922
OCC#Cc1csc(CN2CC[C@@]3(CCC[NH+](CC4CCCCC4)C3)C2)c1,C20540546_decoy,GCR,Decoy,0,-12.4337,-2.37,-3.31,-4.408027545493058
CC1CC[NH+]([C@@H](CNC(=O)N2CCc3sccc3C2)c2cccs2)CC1,C22388818_decoy,GCR,Decoy,0,-11.0623,-7.72,-2.81,-4.843720520583684
C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCO2)c1ccc(F)cc1F,C22787049_decoy,GCR,Decoy,0,-8.96552,-8.08,-0.94,-8.436544977733377
C[NH2+][C@@H](c1ccc2c(c1)OCCCO2)c1ccccc1I,C35466867_decoy,GCR,Decoy,0,-8.77576,-7.95,-0.31,-12.816325779909644
C[NH2+][C@H](c1ccc(Br)o1)c1cc2c(cc1Br)OCCCO2,C35500857_decoy,GCR,Decoy,0,-9.0273,-7.63,-1.6,-11.5796666169618
Cn1cc[nH+]c1[C@H](Nc1ccccc1I)c1cccs1,C37248211_decoy,GCR,Decoy,0,-9.0221,-7.47,-2.25,-10.184968894880964
C[C@@H](Nc1ccc[nH+]c1N1CCCC1)c1ccc(I)cc1,C37273931_decoy,GCR,Decoy,0,-8.47366,-4.08,-2.95,-3.77942629095464
C[C@H]([NH2+][C@H](C)c1ccc(I)cc1)c1nnc2ccccn12,C37281366_decoy,GCR,Decoy,0,-8.6014,-3.91,-0.6,-4.10482034731467
COc1c(Br)cc(CN[C@H]2C[NH+]3CCC2CC3)cc1Br,C37510064_decoy,GCR,Decoy,0,-10.1844,-7.27,-1.57,-8.856514095195319
Oc1c(I)cc2oc3c(c2c1/C=[NH+]/Cc1ccncc1)CCCC3,C06189027_decoy,GCR,Decoy,0,-9.16411,-3.16,-1.37,-3.759885806364053
Cc1ccc2c(c1)=[NH+]C(=O)[C@H](CNc1cccc(I)c1)C=2,C38788222_decoy,GCR,Decoy,0,-8.47365,-4.58,-1.07,-4.206196350244263
O=C1[NH+]=c2ccccc2=C(O)[C@@H]1Sc1cc(Cl)c(Cl)cc1Cl,C05409311_decoy,GCR,Decoy,0,-10.0519,-9.12,-3.79,-10.446719124275122
OCCN1CC[NH+]([C@@H]2Cc3ccccc3Sc3c2ccc(Cl)c3Cl)CC1,C22867695_decoy,GCR,Decoy,0,-10.9713,-2.73,-2.35,-4.230262655892772
CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[NH+]2C[C@@H]2N=CC(C)=N2)cc1,C39421233_decoy,GCR,Decoy,0,-6.42759,-4.57,-4.36,-3.4198964996730927
CN(Cc1ccc(C#CCO)s1)[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1,C23358638_decoy,GCR,Decoy,0,-11.7937,-9.24,-0.87,-11.484891688329936
O=C(N/N=C/[C@H]1[NH+]=c2ccccc2=C1Cl)[C@@H]1Sc2ccccc2[C@H]1Cl,C39574379_decoy,GCR,Decoy,0,-10.1948,-6.65,-1.29,-6.180454387229053
C[NH2+][C@@H](C)c1sc(-c2cc(Br)c3c(c2)OCCO3)nc1C,C40995467_decoy,GCR,Decoy,0,-9.66501,-2.8,-1.49,-3.5793253274011887
C[C@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1ccc(Br)cc1Br,C41653544_decoy,GCR,Decoy,0,-9.78463,-8.59,-1.78,-10.132619946870689
O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1,C44933017_decoy,GCR,Decoy,0,-9.56624,-4.7,-1.97,-4.684316312995533
O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2c(F)cccc2Cl)CC1,C44933038_decoy,GCR,Decoy,0,-9.35463,-4.82,-1.5,-4.549254482716613
O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)c1cc(Cl)ccc1I,C48238049_decoy,GCR,Decoy,0,-9.46016,-3.45,-1.78,-4.1930766811713145
C[NH+](C)C(C)(C)CNC(=O)c1ccc(I)c(Br)c1,C48461917_decoy,GCR,Decoy,0,-9.30922,-7.12,-2.34,-8.757207674075529
C[C@@H]1CCC[NH+](CCNC(=O)c2cc(Br)c(Br)s2)C1,C48963393_decoy,GCR,Decoy,0,-9.89127,-7.15,-0.79,-7.631810508670542
COc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]2OC)cc1Br,C49948608_decoy,GCR,Decoy,0,-9.80585,-6.42,-1.21,-13.1153946865887
Brc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)oc1Br,C50361021_decoy,GCR,Decoy,0,-9.20237,-6.66,-1.83,-7.178074977151095
Brc1cc(C[NH2+]Cc2cccc3c2OCO3)oc1Br,C50361144_decoy,GCR,Decoy,0,-9.56412,-7.45,-0.89,-6.795639814631791
C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(OC)c(OC)cc1Br,C51171534_decoy,GCR,Decoy,0,-9.48008,-7.2,-0.87,-10.618514489119352
COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(C)o1,C53036458_decoy,GCR,Decoy,0,-9.07472,-7.51,-4.08,-8.728357607024146
CC[NH2+][C@H]1CCCc2nc(N(C)Cc3cc(Br)cs3)sc21,C54907547_decoy,GCR,Decoy,0,-10.1125,-7.02,-4.55,-8.71978332867054
CCC[NH2+][C@H](c1cc(Br)sc1Br)[C@@H]1COCCO1,C55300710_decoy,GCR,Decoy,0,-9.50123,-6.16,-1.48,-9.377434840045066
COc1c(Br)cc(CNC2CC[NH+](C3CC3)CC2)cc1Br,C36325163_decoy,GCR,Decoy,0,-10.6227,-7.58,-3.04,-14.143701436042264
C[NH+]1CCN(c2ccc(/N=C/c3cc(Br)ccc3O)cc2)CC1,C05228590_decoy,GCR,Decoy,0,-9.34825,-2.33,-1.2,-4.181980387434699
CCC[NH+]1CCC(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1,C61031069_decoy,GCR,Decoy,0,-10.6079,-7.44,-2.83,-13.588811922280255
C[NH2+][C@H](c1ccc(OC)c(Br)c1)c1ccc(Br)cn1,C61861708_decoy,GCR,Decoy,0,-9.28643,-6.8,-0.84,-8.245654830210075
CCCn1cc[nH+]c1CNc1ccc(I)cc1Cl,C61877912_decoy,GCR,Decoy,0,-8.25618,-5.88,-3.06,-7.328251353281188
Brc1cc(Br)c2cccnc2c1O[C@H]1CC[NH2+]C1,C62963658_decoy,GCR,Decoy,0,-9.38575,-7.73,-0.99,-9.58401573649578
O=C(N[C@H]1CC[NH+](C2CC2)C1)C1(c2ccc(Br)cc2)CCCC1,C63115073_decoy,GCR,Decoy,0,-10.1062,-7.45,-3.06,-10.049708371566648
N#C/C(=C\C1=c2ccccc2=[NH+]C1)[C@@H]1Nc2cc(C(F)(F)F)ccc2S1,C39776152_decoy,GCR,Decoy,0,-9.25789,-4.87,-5.48,-4.269494686324152
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1C[C@@H]2COc3ccccc3[C@@H]2S1,C63493624_decoy,GCR,Decoy,0,-9.19631,-6.41,-1.4,-6.423695683145555
O=C(NCCC1=c2ccccc2=[NH+]C1)C1=C[C@@H]2S[C@H]3CCCC[C@H]3[C@H]2CS1,C63563105_decoy,GCR,Decoy,0,-10.3252,-4.36,-1.47,-4.608201454882371
C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1,C66186695_decoy,GCR,Decoy,0,-9.50012,-2.98,-3.2,-4.260762045240829
C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Br)cc1,C66969844_decoy,GCR,Decoy,0,-9.18336,-3.75,-1.28,-3.940739524410208
CC[C@@H]1CCCC[NH+]1Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O,C01107987_decoy,GCR,Decoy,0,-10.7046,-4.37,-1.46,-4.541157053263426
Cc1ccc(C)c(N2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)c1,C03050936_decoy,GCR,Decoy,0,-10.6264,-8.12,-1.96,-14.508988144223732
COc1ccc(C(=O)N[C@@H]([NH+]2CCCCCC2)C(Cl)(Cl)Cl)cc1,C00823817_decoy,GCR,Decoy,0,-9.52741,-2.95,-1.57,-4.21468045966855
Cc1ccc([C@@H](NC(=O)N2CC[NH+](C)CC2)C(Cl)(Cl)Cl)cc1F,C03177716_decoy,GCR,Decoy,0,-9.7322,-7.66,-2.92,-7.757267479824978
C[NH+](Cc1ccccc1)Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O,C05577536_decoy,GCR,Decoy,0,-9.52279,-5.59,-3.1,-4.944694404022477
O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1[NH+]1CCCCCCC1)c1ccccc1,C06651962_decoy,GCR,Decoy,0,-8.47988,-4.11,-3.18,-3.965814972059964
O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1Br,C08863146_decoy,GCR,Decoy,0,-10.8291,-7.85,-4.84,-11.033248831725643
Cc1ccc2nc(N3CCC([NH2+][C@H](C)Cc4cccs4)CC3)nc(C)c2c1,C12097148_decoy,GCR,Decoy,0,-10.9235,-3.63,-4.39,-4.716214050578662
Oc1c([C@@H](c2ccc(Cl)cc2Cl)[NH+]2CCOCC2)cc(Cl)c2cccnc12,C12284767_decoy,GCR,Decoy,0,-11.2212,-4.1,-4.49,-4.922774101826353
CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)CC1,C12420319_decoy,GCR,Decoy,0,-9.98896,-6.35,-5.11,-9.253984130485724
Fc1ccc(N[C@H]2CCC[NH+](Cc3cnc(N4CCCC4)s3)C2)cc1F,C12453638_decoy,GCR,Decoy,0,-9.95012,-7.68,-3.58,-7.962044239066735
Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1,C13007798_decoy,GCR,Decoy,0,-9.6197,-2.7,-2.35,-4.1181883524741965
Cc1ccc(NC(=S)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1,C17078380_decoy,GCR,Decoy,0,-9.05573,-3.41,-0.77,-3.9833908142663774
Fc1cccc(C[NH+]2CCC(c3cc(-c4cccc(C(F)(F)F)c4)n[nH]3)CC2)c1,C05626230_decoy,GCR,Decoy,0,-9.09864,-6.26,-0.95,-5.752263123442868
c1ccc(Cn2c([C@H](c3ccccc3)N3CC[NH2+]CC3)nc3ccccc32)cc1,C19932561_decoy,GCR,Decoy,0,-9.21075,-9.41,-0.97,-9.99209576131998
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/c1c(F)cccc1Cl,C24106627_decoy,GCR,Decoy,0,-10.7031,-4.65,-2.83,-4.751189906988758
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2c3c(cccc13)CC2,C25384217_decoy,GCR,Decoy,0,-10.8491,-8.91,-7.41,-15.540505015046122
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(I)cc1,C27604273_decoy,GCR,Decoy,0,-10.7604,-8.45,-1.06,-13.729893361661423
O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccccc1Br,C27989259_decoy,GCR,Decoy,0,-10.3072,-6.39,-5.76,-10.995304142188589
O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccccc1Br,C27989265_decoy,GCR,Decoy,0,-10.4236,-8.44,-2.7,-9.360450044232232
Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)cc1Cl,C30829730_decoy,GCR,Decoy,0,-10.3132,-3.82,-1.35,-4.630553892568104
C[C@H]1C[C@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1cc(Br)sc1Br,C36266271_decoy,GCR,Decoy,0,-10.5615,-6.37,-1.65,-9.987367594929392
Cn1cc[nH+]c1[C@@H](Nc1ccc(I)cc1)c1cccs1,C37247468_decoy,GCR,Decoy,0,-9.58999,-6.57,-3.12,-3.8129032964271294
Cn1cc[nH+]c1[C@H](Nc1ccc(Br)cc1Cl)c1cccs1,C37252722_decoy,GCR,Decoy,0,-9.59166,-7.27,-1.87,-9.615883145144252
COC(=O)c1cc(Br)cc(Br)c1NC1CC[NH+](C)CC1,C37784745_decoy,GCR,Decoy,0,-9.90139,-6.94,-2.66,-10.656164154760711
C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])c1ccccc1I,C38132025_decoy,GCR,Decoy,0,-7.12823,-3.88,-0.33,-3.7435145499636473
C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])c1cccc(I)c1,C38132081_decoy,GCR,Decoy,0,-7.30979,-8.47,-1.13,-8.810747551675414
C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])c1cccc(I)c1,C38132082_decoy,GCR,Decoy,0,-7.85419,-3.77,-0.52,-3.847080410004271
C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])c1ccc(I)cc1,C38132086_decoy,GCR,Decoy,0,-7.75645,-3.2,-1.34,-3.641074332000664
C[NH2+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1I,C38133680_decoy,GCR,Decoy,0,-7.94427,-3.83,-0.77,-3.8530440418357657
CCc1ccccc1NC(=O)[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,C38833654_decoy,GCR,Decoy,0,-10.2858,-5.77,-3.16,-5.587323887494278
C[C@H]1[NH+]=c2ccccc2=C1/C=C/[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1,C38906311_decoy,GCR,Decoy,0,-6.99851,-3.98,-3.93,-3.3351187565297336
CCC[NH+](/C=C1/N=C2c3ccccc3CC3(CCCCC3)[C@@H]2C(=O)N1)CCC,C39700571_decoy,GCR,Decoy,0,-10.9996,-3.52,-3.49,-4.683461630633478
N#C/C(=C\C1=c2ccccc2=[NH+]C1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,C39926688_decoy,GCR,Decoy,0,-8.55294,-9.85,-4.78,-8.349098334236011
C[C@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)c1ccc(F)cc1,C39992019_decoy,GCR,Decoy,0,-9.08148,-9.9,-0.52,-9.312660567735335
Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(Br)cc2Br)cnn1C,C41650705_decoy,GCR,Decoy,0,-9.26188,-7.27,-0.96,-8.20419466749337
Brc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCO3)cc1,C42395549_decoy,GCR,Decoy,0,-9.80137,-7.38,-4.13,-8.751465483842386
Fc1cccc(NC(=S)N2CCCC3=C[C@@H]4C[C@@H](C[NH+]5CCCC[C@@H]45)[C@H]32)c1,C43746853_decoy,GCR,Decoy,0,-9.67615,-10.39,-1.77,-10.000751446239796
CC1CC[NH+]([C@@H](C)CNC(=O)c2cc(Br)c(Br)s2)CC1,C49378862_decoy,GCR,Decoy,0,-10.3186,-5.81,-0.69,-6.594212808920603
O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2c1ccc(O)c2C[NH+]1CCCCC1,C08823636_decoy,GCR,Decoy,0,-10.8067,-4.21,-1.86,-4.805516796229256
C[NH2+]Cc1cc(Br)cnc1Oc1ccc(Br)cc1F,C51570519_decoy,GCR,Decoy,0,-9.21086,-1.82,-0.61,-3.61075534225598
Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH+]2CCCCCC2)[C@H]3CCC1,C55065788_decoy,GCR,Decoy,0,-10.782,-3.09,-0.23,-4.634480112045585
CC[C@@H](CNC(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCc2ccccc2C1,C59308495_decoy,GCR,Decoy,0,-9.13449,-4.45,-2.75,-4.616026582605337
CC[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCc2ccccc2C1,C59308497_decoy,GCR,Decoy,0,-9.93222,-4.74,-2.69,-5.483135266297712
Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH+]2CCCCCC2)[C@@H]3CCC1,C13563536_decoy,GCR,Decoy,0,-10.9507,-11.24,-0.34,-18.64542289804408
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)C2(c3cccc(Br)c3)CC2)C1,C60016150_decoy,GCR,Decoy,0,-9.54926,-9.52,-0.77,-17.428604448406645
O=C(NCc1ccco1)[C@@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1,C63530359_decoy,GCR,Decoy,0,-9.17372,-6.14,,99.0
O=C(NCc1ccc(F)cc1)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1F,C63571369_decoy,GCR,Decoy,0,-10.0996,-4.01,-1.84,-4.545358508542192
Cn1cc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c2cc(Cl)ccc21,C65060062_decoy,GCR,Decoy,0,-10.6981,-4.16,-4.03,-4.587372343839538
O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(Br)cc2F)CC1,C66877336_decoy,GCR,Decoy,0,-10.2865,-6.14,-0.89,-6.495657191499811
CC(C)C[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1,C00732581_decoy,GCR,Decoy,0,-8.3376,-4.15,-3.5,-4.085990243172013
Cc1cccc(NC(=S)N2CCC([NH+](C)[C@H]3CCCC[C@@H]3C)CC2)c1C,C04668292_decoy,GCR,Decoy,0,-10.3418,-7.44,-1.55,-11.492791390969463
Cc1ccc2nc(C[NH2+][C@H](C)c3cc(F)c(Cl)cc3Cl)cc(=O)n2c1,C07375070_decoy,GCR,Decoy,0,-8.44672,-3.4,-0.69,-3.7226346423766654
FC(F)(F)[C@H]1CCC[NH+](Cn2[nH]/c(=N\c3ccccc3)sc2=S)C1,C08748752_decoy,GCR,Decoy,0,-9.37153,-8.35,-0.58,-10.917462600071286
Clc1ccc(-n2cccc2C[NH2+]Cc2ccc3c(c2)OCO3)c(Cl)c1,C10003720_decoy,GCR,Decoy,0,-9.41865,-9.0,-2.42,-4.557649077102587
c1cc(-c2nc3cc4c(cc3cc2C[NH2+]CC2CCCCC2)OCO4)cs1,C12098628_decoy,GCR,Decoy,0,-10.6573,-6.21,-2.19,-6.025709007947963
Cc1ccc2cc3cc(C(=O)NCCC[NH+]4CCC(C)CC4)sc3nc2c1,C04886013_decoy,GCR,Decoy,0,-11.5348,-3.59,-2.08,-4.803017662609615
Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCCC[C@H]4C)cc3cc2c1,C15784582_decoy,GCR,Decoy,0,-9.97826,-3.87,-2.27,-4.307752785298093
CC(=O)[NH+]=c1ccc2c(CSCc3ccc(Cl)cc3)cc(O)oc-2c1,C21236283_decoy,GCR,Decoy,0,-10.5747,-4.38,-3.29,-4.866370574496596
C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCO2)c1ccccc1Br,C22777613_decoy,GCR,Decoy,0,-8.77493,-8.11,-1.1,-11.941182789799452
C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCO2)c1ccc(Cl)s1,C27221659_decoy,GCR,Decoy,0,-9.49087,-2.98,-2.38,-3.9113729088678526
Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)oc2ccccc12,C27664674_decoy,GCR,Decoy,0,-10.3367,-2.47,-2.89,-4.249045480837711
Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)oc2ccccc12,C27664675_decoy,GCR,Decoy,0,-9.90722,-4.13,-5.76,-4.667101496598611
Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)oc2c1,C27993402_decoy,GCR,Decoy,0,-11.6871,-5.31,-3.06,-6.2218485191391695
Cc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)c(C)c2c1,C28293262_decoy,GCR,Decoy,0,-10.5414,-10.52,-0.96,-16.032292860329292
Cc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)c(C)c2c1,C28293267_decoy,GCR,Decoy,0,-11.3769,-4.51,-9.09,-5.40295876073493
C[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)c1ccccc1I,C35504790_decoy,GCR,Decoy,0,-8.90614,-7.98,,99.0
CC[NH2+][C@@H](c1ccc(C)o1)c1cc(Br)sc1Br,C35559975_decoy,GCR,Decoy,0,-8.91321,-6.19,-2.5,-8.6952006182565
CCC[NH2+][C@H](c1cncc(Br)c1)c1cc(Cl)ccc1Cl,C35585069_decoy,GCR,Decoy,0,-9.59151,-6.84,-2.38,-9.968287408584974
CC[NH2+][C@@H](c1cccc(I)c1)c1ccc(OC)cc1F,C36767087_decoy,GCR,Decoy,0,-8.39253,-6.5,-1.71,-8.417820098559593
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)s2)cc1Br,C37105883_decoy,GCR,Decoy,0,-9.80381,-7.4,-2.24,-13.429039170825972
C[C@H]([NH2+]Cc1ccc(I)o1)c1cccc2ccccc12,C37231384_decoy,GCR,Decoy,0,-9.06248,-8.02,-4.39,-8.76528922844307
C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(I)cc1,C37233591_decoy,GCR,Decoy,0,-8.91303,-6.66,-0.81,-7.946721441620577
Ic1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1,C37247788_decoy,GCR,Decoy,0,-8.88764,-2.66,-0.91,-3.30307281848116
C[C@H]([NH2+]Cc1ccc(Br)s1)c1cc2cc(Br)ccc2o1,C38018547_decoy,GCR,Decoy,0,-10.5452,-7.67,-1.28,-8.897353317183532
C[NH2+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1,C38133736_decoy,GCR,Decoy,0,-8.68785,-3.71,-0.66,-4.051308516390499
Cc1cc(C)c(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1,C38670167_decoy,GCR,Decoy,0,-9.92958,-5.58,-1.25,-5.471251558887573
CSc1cccc(NC(=O)[C@H]2CCC[NH+](Cc3ccc(Br)cc3)C2)c1,C38852531_decoy,GCR,Decoy,0,-10.0472,-8.94,-2.15,-11.853827704660958
CCC[NH2+][C@@H](c1cncc(Br)c1)c1ccc(Br)s1,C40237170_decoy,GCR,Decoy,0,-9.62258,-6.31,-0.63,-8.461091148253175
C[C@H](N[C@H]1CC[NH+]2CCCC[C@H]12)c1ccc(Br)cc1Br,C41649085_decoy,GCR,Decoy,0,-10.1872,-8.27,-0.73,-11.978285236010096
Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(Br)cc2Br)s1,C41663484_decoy,GCR,Decoy,0,-9.90693,-6.58,-0.79,-11.380156935968948
C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(Br)cc1Br,C41663765_decoy,GCR,Decoy,0,-9.45139,-8.01,-1.21,-8.529747025315686
C[NH2+][C@@H](C)CCOc1c(Br)cc(Br)cc1Br,C44100687_decoy,GCR,Decoy,0,-9.85065,-6.23,-3.95,-9.173150678931744
C[C@H]([NH2+]Cc1cc(Br)c(Br)o1)c1ccc(F)cc1F,C50359619_decoy,GCR,Decoy,0,-9.02118,-3.91,-2.76,-4.199349972056583
C[C@H]([NH2+]Cc1cc(Br)c(Br)o1)c1c(F)cccc1F,C50360845_decoy,GCR,Decoy,0,-8.52606,-2.68,-1.38,-3.617663042006967
Fc1ccc(Br)cc1C[NH2+]Cc1cc(Br)c(Br)o1,C50361192_decoy,GCR,Decoy,0,-9.85511,-6.72,-0.89,-8.480966548253072
CC(C)(C)[NH2+]Cc1cc(Oc2cccc(I)c2)ccn1,C51570619_decoy,GCR,Decoy,0,-9.44822,-8.35,-6.53,-7.398528175329802
CC(C)[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc2c(c1)OCCO2,C26312795_decoy,GCR,Decoy,0,-9.09667,-8.14,-1.25,-8.433629868578901
C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(I)cc1,C37786430_decoy,GCR,Decoy,0,-9.53061,-6.85,-4.96,-9.151437826867957
CCC[NH2+][C@H](c1ccc(Br)cn1)c1cc(Cl)ccc1Cl,C61862517_decoy,GCR,Decoy,0,-9.3625,-6.86,-3.07,-8.285893058966545
CCC[NH2+][C@H](c1ccc(Br)cn1)c1ccc(Br)s1,C61862629_decoy,GCR,Decoy,0,-8.77951,-6.04,-0.74,-8.301074070909863
CCC[NH2+][C@@H](c1cscn1)c1cc(Br)sc1Br,C62356479_decoy,GCR,Decoy,0,-9.54798,-5.91,-1.55,-10.122576871270072
CCc1cccc2c1=[NH+]CC=2/C=N/NC(=O)[C@@H]1CC2=C(CC[C@H](CC)C2)S1,C39944065_decoy,GCR,Decoy,0,-10.1325,-7.37,-1.17,-5.928664354102619
CCc1cccc2c1=[NH+]CC=2/C=N/NC(=O)[C@@H]1CC2=C(CC[C@@H](CC)C2)S1,C39944067_decoy,GCR,Decoy,0,-10.816,-4.48,-3.44,-5.969669069616871
Cc1ccc2c(c1)=C1CCC[C@H](NC[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@@H]1[NH+]=2,C63362627_decoy,GCR,Decoy,0,-10.9206,-6.6,-3.5,-5.506379913479368
O=C(Nc1cccc(F)c1)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63491725_decoy,GCR,Decoy,0,-4.6083,-4.69,-3.54,-2.637505032741602
O=C(NC1CCCC1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccc(F)cc1,C63571839_decoy,GCR,Decoy,0,-9.12972,-3.0,-5.3,-3.847221567579201
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc([C@H]2C=c3ccccc3=[NH+]2)cc1,C63627255_decoy,GCR,Decoy,0,-8.75596,-7.62,-0.82,-8.31353245287794
CCc1ccccc1S(=O)(=O)Nc1ccc([C@H]2C=c3ccccc3=[NH+]2)cc1,C63627275_decoy,GCR,Decoy,0,-8.96521,-5.39,-2.24,-4.472396164656049
O=C(CC1=c2ccccc2=[NH+]C1)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1,C64159840_decoy,GCR,Decoy,0,-8.42279,-4.07,-3.52,-4.421019219424553
COc1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1,C04000043_decoy,GCR,Decoy,0,-10.1056,-4.12,-3.14,-6.741392432760268
O[C@H](COc1ccc(Br)cc1Br)C[NH+]1CCCCCC1,C03156272_decoy,GCR,Decoy,0,-9.38694,-6.75,-0.66,-11.418093847878694
CCc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCc3ccccc3C2)C1,C06877405_decoy,GCR,Decoy,0,-7.70907,-4.27,-2.59,-3.986171257939594
CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CC=C(c4ccc(Cl)cc4)CC3)ccc21,C12291274_decoy,GCR,Decoy,0,-10.0147,-3.14,-5.82,-4.386161889797092
O=C(Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[NH+]2CCCC[C@H]12,C12296538_decoy,GCR,Decoy,0,-10.3434,-9.02,-1.6,-14.994452388989986
O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCC[NH+](Cc2ccc(CO)o2)C1,C12300922_decoy,GCR,Decoy,0,-8.69548,-4.98,-5.61,-4.435030323568656
O=C(c1ccc2c3c(cccc13)CC2)[C@H]1CCC[NH+](Cc2ccc(CO)o2)C1,C12300924_decoy,GCR,Decoy,0,-9.66022,-10.52,-1.19,-13.394999105159531
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CC[NH+](C)CC4)cccc3[C@H]3C=CC[C@H]32)cc1,C14463110_decoy,GCR,Decoy,0,-6.35644,-3.71,-4.46,-2.8196219473686006
O=C(C#Cc1ccccc1)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1,C14997939_decoy,GCR,Decoy,0,-10.137,-4.25,-2.23,-4.421435026272176
CC(C)c1ccc([C@H]2Nc3c(C(=O)N4CC[NH+](C)CC4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20698102_decoy,GCR,Decoy,0,-5.73006,-4.4,-2.71,-2.909304824478049
C[C@H]1CCC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2Br)C1,C23777083_decoy,GCR,Decoy,0,-9.59978,-8.15,0.33,-12.425783437516111
CC(C)[C@]12CN3C[C@](C(C)C)(C[NH+](C1)[C@H]3c1ccc(Br)cc1)C2O,C27532868_decoy,GCR,Decoy,0,-10.3691,-2.36,-1.42,-4.18895924255407
O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(Br)s1,C28317160_decoy,GCR,Decoy,0,-9.87151,-5.48,-2.27,-9.84321088850878
O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc2cc(Cl)ccc2o1,C32761831_decoy,GCR,Decoy,0,-10.5294,-3.07,-1.34,-4.718833976019128
O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(I)c1,C32763352_decoy,GCR,Decoy,0,-10.5442,-7.98,-3.69,-12.196586161745778
C[C@@H](CNC(=O)c1ccc(Br)s1)[NH+]1CCc2sccc2C1,C32817167_decoy,GCR,Decoy,0,-11.7225,-7.63,-1.09,-13.106989913354337
OC[C@H]1CCC[NH+](Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)C1,C34867988_decoy,GCR,Decoy,0,-9.4404,-3.85,-3.8,-4.3534959414359005
CC[NH2+][C@@H](c1ccc(Br)o1)c1cc2c(cc1Br)OCCO2,C35557047_decoy,GCR,Decoy,0,-9.4753,-4.08,-3.45,-4.38880069483264
CC[NH2+][C@H](c1ccc(Br)o1)c1cc2c(cc1Br)OCCO2,C35557050_decoy,GCR,Decoy,0,-8.71913,-3.04,-3.48,-3.6567886226777264
O=C(NCc1ccccc1F)[C@@H]1Cc2ccccc2N2CC[NH+](C3CCCC3)C[C@@H]12,C35870725_decoy,GCR,Decoy,0,-7.07594,-3.55,-3.41,-3.0789195628041965
C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(I)cc1,C37219349_decoy,GCR,Decoy,0,-8.76159,-6.78,-0.79,-7.290334589380532
Cn1cc[nH+]c1[C@H](Nc1ccc(I)cc1)c1cccs1,C37247466_decoy,GCR,Decoy,0,-8.99547,-5.29,-0.74,-7.429892545850077
Cn1cc[nH+]c1[C@@H](Nc1ccc(I)cc1Cl)c1ccco1,C37313739_decoy,GCR,Decoy,0,-9.94927,-6.11,-1.58,-8.233358059466077
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1sc2ccccc2c1Cl,C05483345_decoy,GCR,Decoy,0,-10.4317,-3.92,-2.79,-4.764916804837036
Brc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)s1,C37985130_decoy,GCR,Decoy,0,-9.41179,-7.11,-1.99,-11.070615421880914
Brc1ccc(C2=N[C@@H](N/N=C\C3=c4ccccc4=[NH+]C3)SC2)cc1,C38815572_decoy,GCR,Decoy,0,-9.70531,-5.81,-1.98,-6.802417380035907
C[C@@H]1[NH+]=c2ccccc2=C1/C=C/[C@H]1Nc2ccc(I)cc2C(=O)N1C,C38915024_decoy,GCR,Decoy,0,-10.2086,-4.77,-2.02,-4.207521955694713
CCc1cccc2c1=[NH+]CC=2C(=O)C(=O)Nc1ccc(Br)cc1F,C39355805_decoy,GCR,Decoy,0,-9.49901,-7.15,-1.31,-7.021702386263762
O=[P@@]1(Cc2ccccc2)N[NH+]2C[C@@H]3C=C(F)C(Cc4ccccc4)=C[C@H]3C[C@H]2CO1,C39466485_decoy,GCR,Decoy,0,-9.08417,-4.48,-1.37,-4.382718275311292
O=[P@@]1(Cc2ccccc2)N[NH+]2C[C@H]3C=C(Cc4ccccc4)C(F)=C[C@H]3C[C@H]2CO1,C39466727_decoy,GCR,Decoy,0,-9.05475,-4.3,,99.0
O=[P@@]1(Cc2ccccc2)N[NH+]2C[C@@H]3C=C(Cc4ccccc4)C(F)=C[C@H]3C[C@H]2CO1,C39466729_decoy,GCR,Decoy,0,-8.91682,-4.73,-1.69,-4.105393208198133
CC(=O)Nc1sc2c(c1[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1)CCCC2,C39853444_decoy,GCR,Decoy,0,-10.1875,-4.16,-3.34,-4.815319979232785
CC(=O)Nc1sc2c(c1[C@@H](c1ccccc1Cl)N1CC[NH+](C)CC1)CCCC2,C39853623_decoy,GCR,Decoy,0,-10.7014,-3.98,-3.43,-4.907634828223356
C[C@H]([NH2+]Cc1nnc2ccccn12)c1ccc(Br)cc1Br,C41641539_decoy,GCR,Decoy,0,-9.3694,-7.87,-0.55,-8.591049210844817
C[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccc(Br)cc1Br,C41650549_decoy,GCR,Decoy,0,-9.19981,-5.51,-1.42,-9.211894814359766
C[C@H](NCCc1[nH+]ccn1C)c1ccc(Br)cc1Br,C41663735_decoy,GCR,Decoy,0,-9.40389,-6.97,-3.01,-8.595078536813897
C=C1CCC[C@@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(c5ccc(Cl)cc5)CC4)[C@H]3C[C@H]12,C43742819_decoy,GCR,Decoy,0,-10.438,-3.55,-4.33,-4.013523724851024
O=C([C@@H]1CSC[C@@H](c2ccc3ccccc3c2)[NH2+]1)N1CCN(Cc2ccccc2)CC1,C44164555_decoy,GCR,Decoy,0,-8.4102,-4.98,-3.3,-4.306992669307529
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3)c(C(F)(F)F)c2)CC1,C44796672_decoy,GCR,Decoy,0,-8.64687,-1.95,-4.25,-3.2245442261044097
C[C@H](NC(=O)[C@@H](C)[NH+]1CCc2sccc2C1)c1ccc(Cl)cc1Cl,C45841815_decoy,GCR,Decoy,0,-10.608,-7.75,-1.82,-8.966343875878824
Brc1cc(CNc2ccc[nH+]c2N2CCCC2)oc1Br,C50359555_decoy,GCR,Decoy,0,-9.42467,-6.73,-4.01,-7.418778939005323
Cc1[nH+]c(-c2ccc(NCc3cc(Br)c(Br)o3)cc2)co1,C50359936_decoy,GCR,Decoy,0,-9.76753,-8.52,-0.62,-13.04202479273586
C[C@H]([NH2+]Cc1cc(Br)c(Br)o1)c1ccc2c(c1)OCCO2,C50360072_decoy,GCR,Decoy,0,-9.80232,-4.52,-0.92,-4.361176543675452
C[C@H](C[NH2+]C1CC1)Oc1c(Br)cc(Br)c2cccnc12,C53587527_decoy,GCR,Decoy,0,-9.81307,-7.4,-3.79,-11.036815202757998
O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1C[C@@H]1c1ccc(Br)cc1,C60300816_decoy,GCR,Decoy,0,-12.1656,-2.94,-1.01,-5.2392264343344905
C[C@@H](NC(=O)C1=c2cc(Br)ccc2=[NH+]C1)c1cc2ccccc2o1,C63150607_decoy,GCR,Decoy,0,-9.62941,-3.22,-0.71,-3.666641474698155
C[C@@H]1[NH+]=c2ccccc2=C1CCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1,C63339930_decoy,GCR,Decoy,0,-9.93181,-4.19,-3.04,-4.355706917183793
Cc1ccc2c(c1)=C1S[C@H](C(=O)NCCc3ccc(Cl)cc3)C=C1C(=O)[NH+]=2,C63490527_decoy,GCR,Decoy,0,-8.86841,-3.81,-1.7,-4.034465309701877
CCCC[NH+]1Cc2cccc(NC(=O)c3sccc3Br)c2C1,C66513376_decoy,GCR,Decoy,0,-9.90828,-7.08,-2.28,-11.402915027364708
O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1,C66875724_decoy,GCR,Decoy,0,-10.0077,-2.34,-4.93,-3.977804762701212
O=C(OCCC[NH+]1CCCC12CCCCC2)c1ccc2c(c1)Nc1ccccc1S2,C01604643_decoy,GCR,Decoy,0,-10.6347,-1.83,-4.69,-3.920961974563997
O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1,C03108706_decoy,GCR,Decoy,0,-10.2263,-4.02,-2.37,-5.009034158910212
COc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCCC1,C07523545_decoy,GCR,Decoy,0,-9.86638,-7.82,-2.26,-11.609583354189162
O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1cc3ccccc3s1)CC2,C12041082_decoy,GCR,Decoy,0,-10.6724,-4.14,-4.41,-5.160000177179849
CC(C)c1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[NH+]4CCCC[C@H]34)cs2)cc1,C12296553_decoy,GCR,Decoy,0,-9.8569,-4.48,-4.61,-4.702059260304311
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1,C12867844_decoy,GCR,Decoy,0,-10.6161,-8.96,-2.23,-10.10362476447817
CCOc1ccc([C@H]2CCC[NH+]2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1,C12928355_decoy,GCR,Decoy,0,-10.2996,-5.4,-0.58,-5.530948009379003
O=C(C[NH+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1c(Cl)cccc1C(F)(F)F,C12929834_decoy,GCR,Decoy,0,-11.4854,-8.27,-1.61,-15.445237242301816
O=C(C[NH+]1CCc2sccc2[C@H]1c1ccccc1)Nc1c(Cl)cccc1C(F)(F)F,C12929839_decoy,GCR,Decoy,0,-11.0303,-3.35,-2.5,-5.00366739879928
CC(C)CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1,C13724566_decoy,GCR,Decoy,0,-9.96216,-8.42,-2.58,-8.003779758040139
O=C(COc1ccc(Cl)cc1Br)NCC1([NH+]2CCCCC2)CCCCC1,C03310409_decoy,GCR,Decoy,0,-11.0742,-9.12,-4.04,-10.920490004188212
CC1CC[NH+](Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4Cl)coc23)CC1,C19789600_decoy,GCR,Decoy,0,-11.0165,-4.37,-5.24,-4.689067622230239
CCCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1Br,C20926902_decoy,GCR,Decoy,0,-11.3193,-7.9,-0.99,-9.997519777146923
CCCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCCC1,C20929813_decoy,GCR,Decoy,0,-9.97313,-7.0,-1.58,-11.80074147712751
C[C@@H]([NH2+][C@H](c1ccc(Br)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1,C21367032_decoy,GCR,Decoy,0,-6.12457,-6.81,-3.95,-4.256249800568797
c1ccc(Nc2nc(C[NH+]3CCN(Cc4cccc5ccccc45)CC3)cs2)cc1,C22927834_decoy,GCR,Decoy,0,-9.93767,-7.29,-1.73,-7.141105296795001
Cc1cc(N2CCC(O)(c3ccc(Br)cc3)CC2)[nH+]c2cc(F)ccc12,C23634471_decoy,GCR,Decoy,0,-10.4028,-4.68,-0.89,-4.406954114834397
COc1ccc2c(C)cc(N3CCC(O)(c4ccc(Br)cc4)CC3)[nH+]c2c1,C23634753_decoy,GCR,Decoy,0,-10.8836,-2.1,-1.45,-4.566418511055264
CC(C)[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1,C24982058_decoy,GCR,Decoy,0,-8.7666,-8.99,-1.83,-11.231949349109566
C[NH2+][C@H](Cc1ccc(Br)cc1)c1cc(Cl)cc(Br)c1OC,C35458463_decoy,GCR,Decoy,0,-10.693,-7.29,-0.29,-12.752832714371014
CCOc1ccc(Br)cc1[C@@H]([NH2+]C)c1ccc(Br)s1,C35505490_decoy,GCR,Decoy,0,-8.99888,-5.98,-1.92,-7.286209078763756
CC[NH2+][C@H](c1ccc(Br)s1)c1cc(Br)ccc1OC,C35508784_decoy,GCR,Decoy,0,-9.47985,-6.37,-2.87,-11.435122533666872
CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1cc(Br)sc1Br,C35560728_decoy,GCR,Decoy,0,-10.1758,-7.09,-0.68,-14.76035758008558
CCC[NH2+][C@@H](c1ccc(OC)c(Br)c1)c1ccc(Br)s1,C35572478_decoy,GCR,Decoy,0,-9.45127,-6.42,-0.66,-9.55728638295581
O=C(N[C@@H](OC[C@H]1CCC[NH+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc(Cl)cc1,C02129638_decoy,GCR,Decoy,0,-11.4671,-8.99,-2.97,-13.440653871989676
CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1CC,C37294575_decoy,GCR,Decoy,0,-10.4729,-7.11,-1.67,-10.791966296732888
CCC[NH2+][C@@H](c1cccc(I)c1)c1ccc(OC)cc1Br,C37445537_decoy,GCR,Decoy,0,-9.84839,-7.21,-2.42,-9.149345629366149
Cc1ccc2c(c1)[C@@H](Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1CS2,C00717629_decoy,GCR,Decoy,0,-11.0625,-3.06,-2.67,-4.622657097062351
Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)c1C,C38546859_decoy,GCR,Decoy,0,-10.6592,-2.73,-3.42,-4.41272629663716
CN1CCCc2cc([C@H](CNC(=O)Cc3cccc4ccccc34)[NH+]3CCCCC3)ccc21,C38670877_decoy,GCR,Decoy,0,-8.29122,-3.65,-2.98,-3.941214048060072
CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[NH+](Cc2c(Cl)cccc2Cl)C1,C38856197_decoy,GCR,Decoy,0,-10.6333,-4.05,-3.95,-4.865027788514352
COc1cc(Br)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OC(C)C,C40728452_decoy,GCR,Decoy,0,-10.3039,-7.59,-1.25,-9.607923540118184
CC(C)c1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)cc2c1,C41310220_decoy,GCR,Decoy,0,-9.92016,-9.15,-2.4,-13.964907143268682
C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3c4ccccc4Sc4ccccc43)cc2)C1,C44879377_decoy,GCR,Decoy,0,-8.89013,-3.57,-2.58,-4.111423685061527
O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH+](Cc2c(Cl)cccc2Cl)C1,C44914811_decoy,GCR,Decoy,0,-10.2973,-4.72,-5.26,-5.028372386955912
O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[NH+](Cc2c(F)cccc2Cl)C1,C44917159_decoy,GCR,Decoy,0,-10.7585,-3.49,-4.0,-4.798306752844661
Cc1ccc([C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc4ccccc34)C2)c2ccccc2)cc1,C44938197_decoy,GCR,Decoy,0,-5.49611,-2.96,-3.42,-2.8892430837812184
CC[C@H]([NH2+]Cc1cc(Br)cc(Br)c1OC)c1cccs1,C48416922_decoy,GCR,Decoy,0,-10.6696,-7.01,-2.96,-12.671354611055929
CCCC[NH+](C)Cc1c(O)ccc2c1O/C(=C\c1ccc(Cl)cc1Cl)C2=O,C13682070_decoy,GCR,Decoy,0,-10.3781,-3.79,-4.19,-4.752223327487739
Cc1csc2[nH+]c(CN[C@H](c3ccc(C(C)C)cc3)c3cccs3)cc(=O)n12,C15362354_decoy,GCR,Decoy,0,-11.0603,-5.38,-8.68,-5.998269391691253
CC(C)(C)c1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(O)c(C(C)(C)C)c1,C59579457_decoy,GCR,Decoy,0,-10.7919,-4.23,-4.47,-4.924166242467224
Brc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c([nH+]c4ccccc43)N2)cc1,C13806888_decoy,GCR,Decoy,0,-9.75891,-3.69,-1.03,-4.043835513991334
CCCC[NH+](C)Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O,C41584067_decoy,GCR,Decoy,0,-9.55026,-3.99,-2.87,-4.4937230539262645
Cc1ccc(Cl)cc1NC(=O)[C@@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1,C63505736_decoy,GCR,Decoy,0,-11.18,-4.83,-4.98,-5.486961849888301
C[C@H]1[NH+]=c2ccc(F)cc2=C1CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1,C63515305_decoy,GCR,Decoy,0,-9.61662,-10.33,-6.11,-7.789543291998441
C[C@@H](CNC(=O)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1)c1ccccc1,C63530394_decoy,GCR,Decoy,0,-6.22622,-5.68,-4.19,-3.6793686795440257
O=C(Nc1ccc(Cl)cc1)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@@H]1c1ccc(F)cc1,C63572388_decoy,GCR,Decoy,0,-9.28867,-3.01,-1.9,-3.921322085036723
O=C(NCc1ccc(F)cc1)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63572680_decoy,GCR,Decoy,0,-6.1015,-3.77,-4.29,-3.2588239300842607
O=C(NCc1ccc(F)cc1)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1,C63572684_decoy,GCR,Decoy,0,-6.27329,-3.71,-2.23,-3.1783706521184567
Cc1ccc([C@@H]2[C@H]3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1,C63572771_decoy,GCR,Decoy,0,-7.60031,-3.73,-3.36,-3.1156440158674124
CCC[NH+](CCC)[C@@H](C)[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1,C01729652_decoy,GCR,Decoy,0,-11.2737,-8.55,-1.73,-15.326893077654017
O[C@@H](COc1ccc(Br)cc1)C[NH+](C1CCCCC1)C1CCCCC1,C04484460_decoy,GCR,Decoy,0,-10.8153,-8.73,-2.29,-10.178950101234374
ClC(Cl)(Cl)c1cc(C(Cl)(Cl)Cl)nc(NCCC[NH+]2CCCC2)n1,C01727300_decoy,GCR,Decoy,0,-11.8213,-6.32,-3.73,-15.19625035984631
Oc1ccc(C2=Cc3ccccc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1,C05765564_decoy,GCR,Decoy,0,-7.96694,-6.38,-4.26,-4.014667941068451
CC(C)C[NH+](Cc1c2occ(-c3ccccc3Cl)c(O)c-2ccc1=O)CC(C)C,C05832811_decoy,GCR,Decoy,0,-11.1398,-3.28,-3.84,-4.82328782334602
O=C(NC[C@H](c1cccc2ccccc12)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2,C07598475_decoy,GCR,Decoy,0,-9.0664,-3.52,-1.88,-4.15955855323323
C[C@H]([NH2+]Cc1cc(Br)ccc1OCc1ccccc1)c1ccccc1,C08534239_decoy,GCR,Decoy,0,-10.0543,-7.48,-3.32,-8.848172028528477
CCc1c(C)sc2c1CC[NH+](CC(=O)NCCC1=CCCCC1)[C@@H]2c1ccccc1,C09527704_decoy,GCR,Decoy,0,-10.5206,-3.51,-2.14,-4.487961822313386
CCc1c(C)sc2c1CC[NH+](CC(=O)NCCC1=CCCCC1)[C@H]2c1ccccc1,C09527705_decoy,GCR,Decoy,0,-11.5345,-3.54,-3.67,-5.204911210514664
O=C(c1ccc(Cl)cc1)[C@H]1C[NH+](C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1,C13041488_decoy,GCR,Decoy,0,-10.7252,-4.13,-2.92,-4.607283818449946
Cc1cc(C)c(-n2cccc2C[NH2+]CCOC2c3ccccc3-c3ccccc32)c(C)c1,C06370495_decoy,GCR,Decoy,0,-9.19479,-9.31,-2.72,-9.808007830732164
N#Cc1ccccc1Sc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1,C13098395_decoy,GCR,Decoy,0,-11.5637,-4.1,-1.69,-5.382416762685997
CC(C)C[NH+](Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12)CC(C)C,C19791812_decoy,GCR,Decoy,0,-10.503,6.7,-4.83,-1.351038024577676
CCCOc1c(Cl)cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl,C20926223_decoy,GCR,Decoy,0,-11.4137,-8.46,-4.64,-12.098667589965912
CCc1c(C)sc2c1CC[NH+](CC(=O)Nc1cc(C)ccc1C)[C@@H]2c1ccccc1,C21045595_decoy,GCR,Decoy,0,-11.3008,-4.24,-2.7,-5.177968977384507
Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCCC2)cc1,C27994046_decoy,GCR,Decoy,0,-9.98929,-4.99,-3.56,-4.725983980887773
Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)[NH+]2CCCCCC2)cc1,C27994048_decoy,GCR,Decoy,0,-10.2542,-4.94,-6.5,-5.252598340026517
CCCN(Cc1ccccn1)c1cc(-c2ccccc2)cc(-c2ccc(O)c(C)c2)[nH+]1,C29561513_decoy,GCR,Decoy,0,-10.9866,-3.48,-1.74,-5.154012661512121
O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(Cl)c(Cl)c2)C1,C30944176_decoy,GCR,Decoy,0,-11.7192,-4.02,,99.0
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1,C30945568_decoy,GCR,Decoy,0,-11.2749,-9.21,-3.17,-9.655023905831696
C=C(Nn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\Cc1ccccc1)c1cc[nH+]cc1,C03272810_decoy,GCR,Decoy,0,-11.1663,-1.94,-4.21,-4.238813724639299
O=C(c1ccccc1)N(C[C@H]1C[NH+](Cc2ccc[nH]2)C[C@@H]1c1ccccc1)C1CCCCC1,C34699019_decoy,GCR,Decoy,0,-10.6602,-4.15,-2.26,-5.183375953313102
CC(=O)N(C[C@H]1C[NH+](Cc2ccccc2O)C[C@@H]1c1ccc(C)cc1)C1CCCCC1,C34740731_decoy,GCR,Decoy,0,-9.73307,-4.47,-3.45,-7.077255516791453
Cc1ccc([C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2CN(C(=O)C(C)C)C2CCCCC2)cc1,C34740750_decoy,GCR,Decoy,0,-6.7186,-3.01,-3.55,-3.076648110414769
CCC[NH2+][C@@H](Cc1ccc(OC)cc1)c1cc(Br)sc1Br,C35586188_decoy,GCR,Decoy,0,-10.1029,-6.38,-0.87,-9.42016342148463
Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1,C38546128_decoy,GCR,Decoy,0,-8.91932,-3.86,-1.64,-4.249614290742744
Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)[NH+]2CCCCC2)cc1,C38546129_decoy,GCR,Decoy,0,-9.39045,-3.87,-3.41,-4.454338938857393
CC(C)c1ccc(C2=NC(C(=O)NCCc3cccc(F)c3)=CC3=c4ccccc4=[NH+][C@H]23)cc1,C38558027_decoy,GCR,Decoy,0,-7.76769,-1.96,-3.82,-3.218055158483409
O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCC[NH+](Cc2ccc(Cl)cc2Cl)C1,C38836840_decoy,GCR,Decoy,0,-12.0739,-8.74,-3.82,-8.575184351229504
CCc1cccc2c1=[NH+]CC=2[C@H](C(=O)c1ccccc1)c1c[nH]c2c(CC)cccc12,C39935609_decoy,GCR,Decoy,0,-9.52091,-4.54,-2.01,-4.809921373358041
CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC(C)C,C40728992_decoy,GCR,Decoy,0,-11.2391,-8.6,-4.86,-13.245860943451405
CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Br)c1OC(C)C,C40729095_decoy,GCR,Decoy,0,-9.43811,-8.14,-1.54,-13.315913204521822
CC(C)Oc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Br,C40730566_decoy,GCR,Decoy,0,-10.915,-7.78,-4.47,-12.528285227569768
C[C@@H](NC(=O)[C@H]1CCC[NH+](Cc2cccc3ccccc23)C1)c1ccc(N2CCCCC2)cc1,C44854895_decoy,GCR,Decoy,0,-10.7365,-3.66,-2.84,-4.650157205463459
Cc1ccc([C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3C)C2)c2ccccc2)cc1,C44937825_decoy,GCR,Decoy,0,-7.13264,-4.18,-2.33,-3.1661419557728894
Cc1ccc([C@H](NC(=O)[C@H]2CCC[NH+](Cc3c(F)cccc3Cl)C2)c2ccccc2)cc1,C44937970_decoy,GCR,Decoy,0,-6.31845,-4.21,-3.28,-3.531752946988824
Cc1ccc([C@H](NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c2ccccc2)cc1,C44938057_decoy,GCR,Decoy,0,-7.56435,-4.42,-4.48,-4.229747122913698
O=C(/N=c1/[nH]c(C[NH+]2CCCCC2)cs1)[C@@H](Sc1ccccc1)c1ccccc1,C22289627_decoy,GCR,Decoy,0,-10.7042,-4.43,-4.92,-5.263669327150787
Fc1ccc(Cn2c(C[NH2+]CCc3ccc(Cl)cc3)cc3sccc32)cc1,C57719287_decoy,GCR,Decoy,0,-10.108,-7.07,-5.26,-8.4857169029276
Cc1ccn2c(CC(=O)Nc3ccc(C)c(C)c3)c(-c3ccc(C)c(C)c3)[nH+]c2c1,C62041734_decoy,GCR,Decoy,0,-5.73094,-4.7,-2.29,-3.3048622540981656
Cc1ccc(NC(=O)Cc2c(-c3ccc(C)c(C)c3)[nH+]c3cc(C)ccn23)c(Br)c1,C62041918_decoy,GCR,Decoy,0,-5.87336,-4.25,-5.21,-3.0497808428379583
Cc1cc(O)c(C[NH+]2C[C@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C\c1ccc(Cl)cc1Cl)O2,C41515110_decoy,GCR,Decoy,0,-10.1431,-4.01,-3.14,-4.264577980015089
C[C@@H]1C[C@@H](C)C[NH+](Cc2c(O)ccc3c2O/C(=C/c2c(Cl)cccc2Cl)C3=O)C1,C41583743_decoy,GCR,Decoy,0,-8.94322,-3.08,-3.08,-3.3938149482159843
O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](C1=c2ccccc2=[NH+]C1)c1cccs1,C63230073_decoy,GCR,Decoy,0,-10.1123,-9.09,-2.0,-12.790309137269876
CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)C2=c3ccccc3=[NH+]C2)cc1,C63230285_decoy,GCR,Decoy,0,-6.59093,-4.81,-4.96,-3.4670787703924484
CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)C2=c3ccccc3=[NH+]C2)cc1,C63230365_decoy,GCR,Decoy,0,-11.8397,-5.61,-1.43,-6.101470029597318
COc1ccc([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)cc1COc1cccc(C)c1C,C63350501_decoy,GCR,Decoy,0,-5.66994,-5.11,-3.73,-3.1807783002189622
CS/C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)=[NH+]\[C@H](C)c1ccccc1,C04306296_decoy,GCR,Decoy,0,-10.1516,-4.78,-4.89,-4.93400520409956
O=C(/C=C/c1ccccc1)NCCSC1=c2ccccc2=[NH+][C@H]1c1ccc(Cl)cc1,C63654939_decoy,GCR,Decoy,0,-9.31956,-3.61,-3.49,-4.733107658449272
O=C(Cc1csc(-c2cccc(F)c2)n1)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1,C64340446_decoy,GCR,Decoy,0,-10.2532,-5.44,-2.72,-5.329363676863413
CCC[NH2+]Cc1ccc(Br)cc1N1CCCC[C@H]1CC,C34824746_decoy,GCR,Decoy,0,-8.76791,-6.6,-1.09,-10.307013898937448
CCCOc1ccc(Br)cc1C[NH2+][C@H]1CCCC[C@@H]1C,C34991719_decoy,GCR,Decoy,0,-8.8583,-6.94,-1.05,-8.34906398147087
CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(Br)cc1,C35043185_decoy,GCR,Decoy,0,-9.11496,-7.33,-0.71,-12.377687276200428
C[NH2+][C@@H](c1ccc(OC(C)C)cc1)c1ccc(Br)s1,C35498595_decoy,GCR,Decoy,0,-9.46237,-6.88,-0.72,-7.475118349191592
CC[NH2+][C@@H](c1cncc(Br)c1)c1c(C)cc(C)cc1C,C35547750_decoy,GCR,Decoy,0,-8.86816,-7.22,-1.51,-9.847152281367526
CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)c1ccc(Br)o1,C35583057_decoy,GCR,Decoy,0,-8.74085,-7.44,-3.76,-9.475605383651937
CC(C)(C)C[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1,C37128512_decoy,GCR,Decoy,0,-8.27166,-7.25,-2.48,-8.28051445203987
CC(C)=CC[NH+]1CCC(Nc2ccc(Br)cc2C)CC1,C37197043_decoy,GCR,Decoy,0,-9.47115,-3.73,-4.3,-4.065867446816551
C[C@H](NCCC[NH+]1CCCC[C@@H]1C)c1sccc1Br,C37200232_decoy,GCR,Decoy,0,-9.33363,-6.95,-4.67,-10.485902847232172
C[C@@H]1[C@@H](C)CCC[C@H]1[NH2+]Cc1ccc(I)o1,C37214876_decoy,GCR,Decoy,0,-8.42851,-6.42,-0.9,-7.565286627133551
C[C@@H](Nc1ccc(I)cc1)[C@H]1CCC[NH+](C)C1,C37221960_decoy,GCR,Decoy,0,-8.24642,-6.94,-2.69,-7.894612765364061
C[C@@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl,C37232889_decoy,GCR,Decoy,0,-8.52947,-6.75,-2.26,-11.113078152559403
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(I)cc2)o1,C37280553_decoy,GCR,Decoy,0,-8.25473,-6.49,-2.38,-10.86617181298125
CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccc(Br)cc21,C37294761_decoy,GCR,Decoy,0,-9.45577,-7.91,-1.49,-10.929217278496836
C[NH2+][C@@H](c1ccc(OC)cc1)c1ccc(Br)cc1Cl,C37366026_decoy,GCR,Decoy,0,-8.0694,-3.0,-1.52,-3.671352326696024
CC[NH2+][C@@H](C)c1ccc(OCc2ccc(Br)s2)cc1,C37705639_decoy,GCR,Decoy,0,-10.1028,-6.98,-4.88,-9.077784757757469
C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1sccc1Br,C37786483_decoy,GCR,Decoy,0,-9.4728,-7.04,-1.38,-12.602465608560406
C[C@@H](Nc1[nH+]ccc2sccc12)c1cccc(Br)c1,C37998879_decoy,GCR,Decoy,0,-9.5928,-7.24,-0.1,-7.914234693941681
C[C@@H](CN[C@@H](C)c1sccc1Br)C[NH+]1CCCCC1,C38042060_decoy,GCR,Decoy,0,-9.06759,-6.83,-0.93,-12.188515622856126
CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1Br)N1CCCC1,C20200761_decoy,GCR,Decoy,0,-8.2597,-6.65,-1.28,-8.226353828243457
CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)N(C)C,C37233197_decoy,GCR,Decoy,0,-9.26961,-6.67,-2.65,-11.992704324522409
Cc1ccc(OC[C@H](C)[NH2+]Cc2ccc(Br)s2)cc1,C40499465_decoy,GCR,Decoy,0,-9.46113,-6.7,-3.23,-7.314928456190915
CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1nc2c(s1)CCCC2,C41192373_decoy,GCR,Decoy,0,-10.4303,-7.05,-1.97,-8.67713663650645
CCC[NH2+][C@@H](c1cccc(Br)c1)c1nc2c(s1)CCC2,C41195406_decoy,GCR,Decoy,0,-9.59389,-6.59,-1.03,-9.14379086101205
C[C@H]([NH2+]Cc1ccco1)c1ccc(Br)cc1Br,C41640573_decoy,GCR,Decoy,0,-8.74616,-7.31,-2.15,-9.747082022396224
CN(Cc1cc(Br)cs1)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1,C42402467_decoy,GCR,Decoy,0,-9.67085,-7.27,-2.09,-9.158909502152772
CC(C)[NH2+]Cc1ccccc1OCc1cc(Br)cs1,C43686743_decoy,GCR,Decoy,0,-8.92399,-7.11,-2.04,-7.024119403296868
CC[NH2+][C@@H](C)c1cccc(OCc2cc(Br)cs2)c1,C43686806_decoy,GCR,Decoy,0,-9.1376,-6.28,-2.09,-8.2012363080032
Cc1ccc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)s1,C50225143_decoy,GCR,Decoy,0,-9.11463,-2.42,-3.46,-3.497549472746202
CC[NH2+][C@H]1CCCc2nc(-c3cc(Br)cs3)sc21,C50330723_decoy,GCR,Decoy,0,-10.3903,-6.79,-1.53,-10.862216065058336
CC(C)(C)[NH2+]C[C@@H](OC1CCCC1)c1ccc(Br)cc1,C50487509_decoy,GCR,Decoy,0,-8.20182,-6.77,-0.78,-9.633183523170535
CCc1ccc([C@H]([NH2+]C)c2cccc(I)c2)o1,C51727320_decoy,GCR,Decoy,0,-7.93614,-6.53,-4.52,-8.350181358710875
C[C@H](C[NH2+]C1CCCCC1)N(C)Cc1csc(Br)c1,C53497406_decoy,GCR,Decoy,0,-10.172,-5.37,-2.39,-7.515991945961194
Cc1ccc(OCC[NH2+]Cc2sccc2C)c(Br)c1,C53585643_decoy,GCR,Decoy,0,-8.92865,-6.57,-0.84,-10.389317469109947
C[C@@H](CN[C@@H](C)c1ccccc1Br)C[NH+]1CCCCC1,C38041770_decoy,GCR,Decoy,0,-8.56141,-6.42,-5.68,-8.642764764696466
CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2cc(Br)ccc21,C40227435_decoy,GCR,Decoy,0,-9.16869,-6.6,-3.26,-8.648901257644596
C[C@@H](N[C@@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)c(Cl)c1Cl,C44686623_decoy,GCR,Decoy,0,-10.014,-7.31,-2.45,-10.024926797050789
C[C@@H]([NH2+]Cc1nc(-c2ccccc2)cs1)c1ccc(Cl)s1,C61680871_decoy,GCR,Decoy,0,-9.08198,-3.67,-1.72,-2.8889573036398337
C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1cc(Br)ccc1Cl,C61690880_decoy,GCR,Decoy,0,-8.8844,-7.67,-4.05,-10.58360447027766
C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1cc(Br)ccc1Cl,C61690882_decoy,GCR,Decoy,0,-9.16088,-7.85,-4.6,-8.74669343001504
CC[NH2+][C@@H](C)c1ccc(OCc2cccs2)c(Br)c1,C61699709_decoy,GCR,Decoy,0,-9.49537,-7.35,-2.74,-8.613440298911131
C[NH2+][C@@H](C)c1ccc(OCCc2cccs2)c(Br)c1,C61699721_decoy,GCR,Decoy,0,-9.32338,-6.93,-3.24,-7.980768767452426
CC[C@@H](C)c1ccc([C@@H]([NH2+]C)c2ccc(Br)cn2)cc1,C61861855_decoy,GCR,Decoy,0,-8.43617,-7.52,-1.68,-7.585936395604341
CCCCc1ccc([C@H]([NH2+]C)c2ccc(Br)cn2)cc1,C61861921_decoy,GCR,Decoy,0,-8.92676,-7.14,-1.45,-6.9021923085950005
CCC[NH2+][C@H](c1ccc(C(C)C)cc1)c1ccc(Br)cn1,C61862569_decoy,GCR,Decoy,0,-8.62656,-6.47,-1.03,-14.230415996051091
FC(F)(F)c1cc(Br)ccc1N[C@@H]1CC[NH+](C2CC2)C1,C61983427_decoy,GCR,Decoy,0,-8.37151,-6.56,-0.19,-9.060332974622272
CC[NH2+][C@H](c1ccc2c(c1)COC2)c1ccc(Br)cc1C,C62333302_decoy,GCR,Decoy,0,-9.13599,-8.21,-2.0,-9.623911501105662
CCC[NH2+][C@H](c1cccc(Br)c1)c1ccc2c(c1)COC2,C62333897_decoy,GCR,Decoy,0,-9.30997,-4.04,-1.81,-4.833854647337227
C[NH2+][C@@H](C)Cc1ccc(-c2ccc(I)cc2)o1,C62770597_decoy,GCR,Decoy,0,-8.27878,-6.77,-4.02,-7.596044143334802
Cc1cc(Br)ccc1OCC[NH2+][C@@H](C)c1cccs1,C63062767_decoy,GCR,Decoy,0,-8.84084,-5.27,-0.68,-5.77957067140965
O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1,C04132965_decoy,GCR,Decoy,0,-9.4274,-3.37,-1.71,-3.3426275266735863
C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCc4ccccc4C3)cc21,C03050270_decoy,GCR,Decoy,0,-7.18651,16.6,-3.38,2.9603605812166696
O=C(Cn1cnc2c(Br)cc(Br)cc2c1=O)c1ccc(Cl)cc1,C00639863_decoy,GCR,Decoy,0,-10.6134,-7.64,-2.11,-8.785642622402927
CC(=O)[C@H]1[C@H](c2cccc(I)c2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12,C00711357_decoy,GCR,Decoy,0,-8.84016,-3.24,-5.13,-3.401996484674542
Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)CC2)cc1C,C00944452_decoy,GCR,Decoy,0,-10.2854,-3.32,-2.77,-3.936384503627205
Cc1nc(SCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2c3c(sc2n1)CCCC3,C03365138_decoy,GCR,Decoy,0,-6.10581,-4.44,-3.27,-2.9217835053086825
Cc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3cccc4ccccc34)C2=O)s1,C00722528_decoy,GCR,Decoy,0,-6.46384,-4.3,-3.69,-3.1951026223594043
O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@H]12,C01108001_decoy,GCR,Decoy,0,-10.8143,-2.44,-1.14,-3.8322914653213394
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Br)cc1,C08821893_decoy,GCR,Decoy,0,-11.4813,16.13,-1.81,1.5718607188894844
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1,C09189266_decoy,GCR,Decoy,0,-12.0534,-3.15,-3.23,-5.498165183342075
O=C1CS[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccc(F)c(Cl)c1,C09225776_decoy,GCR,Decoy,0,-10.6218,-3.99,-2.35,-4.640788393860772
C/N=C1\S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C(=O)N1C,C09261244_decoy,GCR,Decoy,0,-10.213,-9.59,-2.08,-7.944165923806151
Cc1ccc2nc(N3CCN(C(=O)c4ccccc4I)CC3)sc2c1,C09298580_decoy,GCR,Decoy,0,-10.1285,-3.82,-4.94,-3.981743475032512
Cc1ccc(C(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)cc1C,C09541594_decoy,GCR,Decoy,0,-10.2091,-2.79,-2.24,-4.097401285613372
O=c1c2c3c(sc2n(Cc2ccccc2F)c(=O)n1-c1ccc(Cl)cc1)CCC3,C09615383_decoy,GCR,Decoy,0,-7.59384,-5.2,-3.64,-3.786163168111575
Cc1ccc(CC(=O)N2CCN(c3nc4ccc(Br)cc4s3)CC2)cc1C,C10703198_decoy,GCR,Decoy,0,-10.9379,-3.7,-1.82,-4.320702158630211
CSc1ccc2nc(N3CCN(C(=O)Cc4c(C)cc(C)cc4C)CC3)sc2c1,C10747269_decoy,GCR,Decoy,0,-8.90706,-2.71,-1.43,-3.679621347986012
N#CC1=C(n2cccc2)N(c2ccc(F)c(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1,C12360542_decoy,GCR,Decoy,0,-11.4609,-3.12,-1.29,-4.370471824619127
N#Cc1c(N2C(=O)C[C@H](c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)sc2c1CCCC2,C01430775_decoy,GCR,Decoy,0,-11.0822,-3.34,-3.55,-3.979994684606021
CC(C)(C)[P@@](=O)(Oc1ccc(Br)cc1Br)c1ccncc1,C06146167_decoy,GCR,Decoy,0,-8.06154,-7.9,-4.59,-10.764803383947898
O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12,C00828340_decoy,GCR,Decoy,0,-10.4507,-4.2,-1.31,-4.375497322662964
O=C1c2ccccc2C(=O)N1S[C@H]1[C@H](Cl)[C@@H]2C=C[C@H]1c1c(F)c(F)c(F)c(F)c12,C15162077_decoy,GCR,Decoy,0,-10.5957,-5.28,-0.93,-4.58897368863293
CC(=O)[C@H]1[C@@H](c2cccc(I)c2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N21,C15221789_decoy,GCR,Decoy,0,-9.28897,-4.08,-1.83,-3.797928767757459
Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Br)ccc3n2)cc1C,C16392142_decoy,GCR,Decoy,0,-9.64824,-4.15,-2.62,-4.136757772574024
N#CC1(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21,C13635570_decoy,GCR,Decoy,0,-9.0,-4.92,-3.94,-4.1938004972956655
N#CC1(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21,C13635577_decoy,GCR,Decoy,0,-8.39911,-3.76,-0.21,-3.649693780081621
CCc1ccc(-n2c(=S)sc3c(=O)n(-c4ccc(C)cc4)c(SC)nc32)cc1,C03034824_decoy,GCR,Decoy,0,-10.6788,-3.86,-3.76,-4.473963480147696
O=C(Cn1cnc2sccc2c1=O)c1ccc(-c2ccc(Br)cc2)cc1,C23297842_decoy,GCR,Decoy,0,-10.5136,-7.8,-0.85,-13.414519754301248
O=C1O[C@H]2C=CC(Br)=C[C@H]2C=C1c1cn2cc(Cc3ccc(F)cc3)sc2n1,C01452995_decoy,GCR,Decoy,0,-12.2974,-3.7,-0.73,-5.058009289052949
O=C1O[C@@H]2C=CC(Br)=C[C@@H]2C=C1c1cn2cc(Cc3ccc(F)cc3)sc2n1,C01452992_decoy,GCR,Decoy,0,-12.3821,-3.44,-3.95,-4.547829038403228
O=C1C=C/C(=N\S(=O)(=O)c2cc(Br)ccc2Br)C=C1Br,C28463751_decoy,GCR,Decoy,0,-9.97617,-8.56,-1.03,-8.475667428873432
O=C1OC[C@H]2[C@@H]1Cc1c(F)cc(F)cc1[C@@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1,C28823194_decoy,GCR,Decoy,0,-11.605,-4.31,-1.81,-4.533381524296641
Cc1ccc(S(=O)(=O)C(N=C=NC2C3CC4CC(C3)CC2C4)=C(Cl)Cl)cc1,C32617746_decoy,GCR,Decoy,0,-10.0976,-4.23,-4.31,-4.494471990100217
Cc1ccc(C(=O)C2=CN(c3ccc(Br)cc3)c3ccccc3S2(=O)=O)cc1,C32984174_decoy,GCR,Decoy,0,-10.4832,-4.96,-4.55,-4.889705751064895
CCn1c(=O)c2c3c(sc2n(Cc2ccc(Br)cc2)c1=O)CC(C)=C3C,C34724522_decoy,GCR,Decoy,0,-9.63584,-3.86,-2.17,-4.066475188233582
Cc1ccc(N2C(=O)S/C(=C\c3ccc4noc(-c5ccccc5)c4c3)C2=S)cc1,C35515942_decoy,GCR,Decoy,0,-11.2474,-2.97,-2.03,-3.9942275724334895
CC1=C2C(=O)N=C([C@@H](C)Oc3ccc(Br)cc3Br)N=C2S[C@H]1C,C38800059_decoy,GCR,Decoy,0,-10.5547,-2.87,-1.2,-3.9152495465082686
O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1,C36687774_decoy,GCR,Decoy,0,-11.0838,-4.31,-5.16,-4.693122870939924
CSc1ccc2nc(N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)sc2c1,C36704989_decoy,GCR,Decoy,0,-11.2548,-2.65,-1.19,-5.056938538640542
Cc1ccc(C2=NC(=O)[C@H]3Sc4nc(C(F)F)cc(-c5ccc(C)cc5)c4C3=N2)cc1,C39440712_decoy,GCR,Decoy,0,-8.54322,-2.99,-1.79,-3.478980706286769
CSc1cc(Br)c2c(c1)C/C(Br)=N/c1c(Cl)ncnc1N2C,C39479658_decoy,GCR,Decoy,0,-11.6842,-3.76,-2.36,-3.98011688610137
CSc1cc2c(c(SC)c1)N(C)c1ncnc(Cl)c1/N=C(\I)C2,C39479663_decoy,GCR,Decoy,0,-11.8112,-3.17,-3.8,-4.372466527753959
O=[N+]([O-])c1ccc([C@H](Br)c2cc(Br)sc2Br)o1,C40288818_decoy,GCR,Decoy,0,-9.1253,-6.68,-1.69,-7.160598822135093
O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1,C45702769_decoy,GCR,Decoy,0,-9.24698,-3.41,-3.88,-4.012575751020448
O=C(c1cc(Cl)cc(Cl)c1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1,C49432654_decoy,GCR,Decoy,0,-11.2481,-3.48,-1.34,-4.832794603762229
C[C@@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3c2C1,C54290453_decoy,GCR,Decoy,0,-12.1645,-4.25,-3.09,-5.114681964265158
Brc1ccc([C@@H]2CC(c3cccc(Br)c3)=Nc3ncnn32)cc1,C02914828_decoy,GCR,Decoy,0,-9.34008,-5.85,-2.35,-7.338876421247484
O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccccc1,C33392807_decoy,GCR,Decoy,0,-11.8498,-11.21,-3.49,-10.00979649958796
Cc1cc(Br)ccc1/N=C/c1cc(Br)c(N2CCOCC2)o1,C59679721_decoy,GCR,Decoy,0,-10.4101,17.62,-1.42,3.028430289313818
CC1CCN(C(=O)C2CCN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)CC1,C59886039_decoy,GCR,Decoy,0,-10.6649,33.77,-2.18,9.73698175644919
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)N2CCOCC2)C1,C00643954_decoy,GCR,Decoy,0,-11.4927,-1.41,-2.16,-4.005474274324648
CC1=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H](c2ccccc2)C1C(=O)Nc1c(F)cccc1F,C04637191_decoy,GCR,Decoy,0,-6.28337,-2.77,-4.57,-2.576892213911344
C[C@H]1CN(C(=O)c2c(NC(=O)c3cccs3)sc3c2CC[C@@H](C(C)(C)C)C3)C[C@H](C)O1,C00643935_decoy,GCR,Decoy,0,-5.74793,-4.02,-4.46,-2.957179181899189
C[C@@H]1CCc2c(sc3ncnc(S[C@@H](C)C(=O)Nc4ccc(Br)cc4)c23)C1,C01970800_decoy,GCR,Decoy,0,-11.1761,-6.59,-3.05,-8.952037612494104
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ncc(Br)cc2[nH]1,C08854761_decoy,GCR,Decoy,0,-11.0433,-8.83,-1.07,-8.065404972570505
C[C@H](C(=O)Nc1ccccc1Cl)n1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O,C08893691_decoy,GCR,Decoy,0,-5.97377,-10.03,-2.29,-4.966383913838816
Oc1c(Br)cc(/C=N/n2c(S)nnc2C2CCCCC2)cc1Br,C08920930_decoy,GCR,Decoy,0,-12.2575,-7.73,-1.34,-8.448697447284534
Cc1cc(C)c(NC(=O)[C@@H](C)n2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)c(C)c1,C08922111_decoy,GCR,Decoy,0,-5.75361,-3.87,-6.15,-2.87081660186594
CC(C)(C)[C@@H]1CCc2c(sc3ncn(CC(=O)Nc4ccc(Cl)cc4Cl)c(=O)c23)C1,C08949745_decoy,GCR,Decoy,0,-11.3794,-4.32,-3.02,-5.054758796668965
CC[C@@H]1Nc2c(sc3nc(C)c(Br)c(COC)c23)C(=O)N1c1ccccc1C,C09185204_decoy,GCR,Decoy,0,-10.13,9.43,-2.99,-0.2784592973334391
Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)c2ccc(Br)s2)c1C#N,C09390681_decoy,GCR,Decoy,0,-12.7659,-4.32,-1.78,-5.484037809416045
Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(Br)cc1,C09403996_decoy,GCR,Decoy,0,-10.2617,-9.31,-2.62,-8.730113169246156
COc1cc(Cl)c(C)cc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2,C09407685_decoy,GCR,Decoy,0,-11.3364,-3.95,-3.41,-4.80044365325112
CN(C)S(=O)(=O)c1cccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1,C09492965_decoy,GCR,Decoy,0,-12.164,-3.31,-4.01,-4.829748453139084
Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccc(C)c(Cl)c2)n1,C10381843_decoy,GCR,Decoy,0,-9.27762,-3.44,-3.63,-3.9851888055997033
O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1,C10771231_decoy,GCR,Decoy,0,-7.82488,-9.16,-4.57,-7.766824637120277
C[C@@H](NC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)c1ccccc1,C11121121_decoy,GCR,Decoy,0,-9.76526,-5.94,-4.54,-5.364722535797623
O=C1c2[nH]nc(-c3ccc(Br)cc3)c2[C@H](c2cccs2)N1c1ccc(Cl)cc1,C09678990_decoy,GCR,Decoy,0,-11.3875,-2.99,-2.69,-4.216739391300183
Cc1ccc(-c2ccsc2C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1,C14226645_decoy,GCR,Decoy,0,-11.4071,-4.91,-1.76,-5.615811236214327
C[C@@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S,C15045475_decoy,GCR,Decoy,0,-5.71369,-4.92,-4.16,-3.0202835055397337
N#CC(C#N)=Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1,C03180384_decoy,GCR,Decoy,0,-10.9335,-3.22,-0.97,-4.558004059727453
N#CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc3ccccc23)NC1=O,C15931921_decoy,GCR,Decoy,0,-7.97349,-7.81,-2.01,-6.773723428891322
O=C(Nc1cccc2ccccc12)N1CCC2(CC1)SCCN2C(=O)c1ccc(Cl)cc1,C16486157_decoy,GCR,Decoy,0,-10.642,-5.1,-2.11,-5.229175414634619
Cc1c(-c2ccccc2)sc(NC(=O)c2cc3ccccc3s2)c1C(=O)N1CCOCC1,C18699960_decoy,GCR,Decoy,0,-8.88713,-2.76,-5.63,-3.766873542578141
Cc1cccc(C(=O)Oc2ccc([C@H]3C4=C(CCCC4=O)NC4=C3C(=O)c3ccccc34)cc2)c1,C09601167_decoy,GCR,Decoy,0,-6.76167,-3.5,-5.01,-3.1224220126746443
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2C[C@@H](C)O[C@H](C)C2)CC[C@H](C(C)(C)C)C3)c1,C20407994_decoy,GCR,Decoy,0,-6.5823,-2.8,-5.05,-2.886912997729518
CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCCC2)c1,C20903262_decoy,GCR,Decoy,0,-7.74391,-3.42,-1.83,-3.1333232494691665
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C(F)(F)F)nn2[C@@H]3c2cc(F)cc(F)c2)cc1,C22567771_decoy,GCR,Decoy,0,-8.77702,-4.21,-2.43,-3.698497127244136
c1ccc2c(c1)Cc1cc(Nc3nc(CN4CCOCC4)nc4sc5c(c34)CCCC5)ccc1-2,C25393792_decoy,GCR,Decoy,0,-7.49982,-4.97,-2.87,-3.840414135461853
O=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1cccs1)c1ccc(Cl)cc1,C27562119_decoy,GCR,Decoy,0,-11.5513,-3.18,-5.31,-4.509553539963479
Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c(C)c1,C30823052_decoy,GCR,Decoy,0,-9.05992,-3.34,-3.21,-3.7521202012511767
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3ccc4cc(Br)ccc43)c2C#N)C1,C32124692_decoy,GCR,Decoy,0,-11.1474,-4.42,-2.22,-4.90680363154514
COc1cc2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl,C32127887_decoy,GCR,Decoy,0,-9.99009,-3.38,-1.7,-4.076183509926773
O=C(Nc1ccc(Cl)cc1)N1CCS[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12,C36161680_decoy,GCR,Decoy,0,-8.82209,-4.28,-4.12,-4.104707420803469
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1N=C2C=C(Br)C=N[C@H]2N1,C39206231_decoy,GCR,Decoy,0,-11.5655,-4.07,-1.96,-4.50852620683296
CN1c2ncnc(Cl)c2/N=C(\Cl)Cc2cc(-c3ccccc3O)cc(Br)c21,C39470239_decoy,GCR,Decoy,0,-11.4784,-3.05,-1.62,-3.8084505217165097
CN1c2ncnc(Cl)c2N=C(c2ccccc2O)Cc2cc(Cl)cc(Br)c21,C39480022_decoy,GCR,Decoy,0,-7.36235,-3.92,-2.41,-2.488419577657457
CSc1cc2nc3n(c(=O)c2cc1Cl)CCc1c-3n(-c2ccccc2O)c2ccccc12,C39541867_decoy,GCR,Decoy,0,-11.3195,-2.16,-2.82,-3.579342350997265
COC(=O)c1c(NC(=O)c2oc3c(c2C)C2(CCC3)SCCS2)sc2c1CCCC2,C39851922_decoy,GCR,Decoy,0,-12.7031,-6.08,-2.84,-6.768658357715492
O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1,C40342955_decoy,GCR,Decoy,0,-10.0752,-3.36,-3.23,-4.241784628166708
O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)CC1,C13847641_decoy,GCR,Decoy,0,-11.9681,-2.2,-5.69,-4.684206455264364
Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2F)cc1,C09679178_decoy,GCR,Decoy,0,-9.54452,-4.2,-1.24,-4.08254233043028
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1,C09117221_decoy,GCR,Decoy,0,-11.664,-5.6,-1.39,-5.781978206262182
CCN1C(=O)C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1ccc(C)c(Cl)c1,C58946438_decoy,GCR,Decoy,0,-8.72722,-3.71,-2.49,-3.849468769531626
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1,C59025363_decoy,GCR,Decoy,0,-10.9998,-2.88,-3.16,-4.240008847607135
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1,C59365317_decoy,GCR,Decoy,0,-12.3535,-5.63,-4.5,-5.494025688217956
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3cccs3)c2=O)=N1,C33417090_decoy,GCR,Decoy,0,-11.8038,-3.81,-0.76,-4.853841785145383
COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc2nsnc12,C59567925_decoy,GCR,Decoy,0,-10.3738,-3.72,-3.09,-4.675713589792566
Cc1ccc2nc(-c3ccc(F)c(C)c3)c(CC(=O)Nc3ccc(Br)cc3C)n2c1,C62041700_decoy,GCR,Decoy,0,-6.62609,-3.75,-2.02,-2.9871766074766075
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1ccccc1F,C37442965_decoy,GCR,Decoy,0,-6.56376,-3.51,-4.57,-3.2656029018087147
O=[N+]([O-])c1ccc(Oc2c(Br)cc(Br)cc2Br)c(Cl)c1,C04181875_decoy,GCR,Decoy,0,-10.4643,-7.79,-0.56,-8.214187440072454
CCc1cc2c(=O)n(-c3ccccc3)c(SCC(=O)c3cc(Cl)sc3Cl)nc2s1,C02848395_decoy,GCR,Decoy,0,-10.3892,-3.38,-2.89,-4.755966621964853
COc1c(Br)cc(Br)cc1/C=c1\sc2nc3cc(C)c(C)cc3n2c1=O,C02911075_decoy,GCR,Decoy,0,-9.89016,-3.0,-1.09,-3.7187692707613937
[H]/N=C1/NC(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(Br)cc3)c(Cl)c2)S1,C08407966_decoy,GCR,Decoy,0,-12.4006,-8.22,-1.74,-15.51319442519466
Cc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3,C01821423_decoy,GCR,Decoy,0,-8.84483,-6.35,-2.89,-5.00090488234496
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1,C06444753_decoy,GCR,Decoy,0,-7.7292,-3.33,-2.06,-3.311510889050324
Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c2ccccc21,C00638606_decoy,GCR,Decoy,0,-7.86157,-5.88,-5.41,-3.2317926960154453
Cc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Br)cc2Br)cc1,C00958707_decoy,GCR,Decoy,0,-9.34602,-3.32,-2.43,-4.177820616639749
O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccc(Br)cc1,C08927086_decoy,GCR,Decoy,0,-7.12313,-1.54,-5.13,-2.510373265068408
O=c1c2cc(I)ccc2nc(/C=C/c2ccccn2)n1-c1ccccc1Cl,C09210192_decoy,GCR,Decoy,0,-9.15553,-2.75,-3.92,-3.683370139307194
O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12)c1ccc(Cl)cc1,C02244439_decoy,GCR,Decoy,0,-10.9436,-10.56,-3.75,-11.822076235507945
O=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCCc2ccccc21,C09391716_decoy,GCR,Decoy,0,-10.0162,-8.59,-2.35,-10.970297875695383
CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccc(Br)cc4)c23)CO1,C02220394_decoy,GCR,Decoy,0,-11.5037,-2.97,-4.19,-4.692945781151185
CC(=O)N(c1nc(CSc2ccc(Br)cc2)cs1)c1c(C)cc(C)cc1Cl,C11341063_decoy,GCR,Decoy,0,-11.533,-6.18,-2.76,-12.775835962559368
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)c1ccc(Cl)cc1,C02385257_decoy,GCR,Decoy,0,-7.92081,-4.13,-4.26,-3.735226123754536
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccc(I)cc2c1=O,C01067538_decoy,GCR,Decoy,0,-10.3011,-4.0,-4.51,-4.916665572719287
Cc1oc(C)c(C(=O)/C=C/c2ccc(Br)cc2)c1C(=O)/C=C\c1ccc(Br)cc1,C13646802_decoy,GCR,Decoy,0,-6.34709,-3.76,-2.54,-3.068439387827242
CC(C)c1ccc(OC(=O)COc2ccc(Br)cc2Br)c(Br)c1,C13982312_decoy,GCR,Decoy,0,-10.527,-8.51,-1.06,-9.504457289704469
O=C(Oc1ccc(Br)c2ccccc12)c1ccc(OC[C@@H]2CCCO2)c(Br)c1,C14552993_decoy,GCR,Decoy,0,-10.3622,-9.98,-4.23,-13.359816581344328
N#CC1(C#N)[C@H](c2cccc3ccccc23)[C@@H](C(=O)c2ccccc2)N2c3ccc(Cl)cc3C=C[C@@H]21,C15134142_decoy,GCR,Decoy,0,-10.8284,-4.03,-2.69,-4.256079901982815
O=P1(c2ccccc2)OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1,C15922490_decoy,GCR,Decoy,0,-3.39078,-4.47,-4.31,-2.218898648428763
CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)C1CCC1,C16528319_decoy,GCR,Decoy,0,-12.0716,-3.24,-3.39,-5.178802448769095
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)C1CCCC1,C16528491_decoy,GCR,Decoy,0,-10.8261,-3.15,-3.73,-4.790030106833063
CC(C)(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C1CC1,C16528537_decoy,GCR,Decoy,0,-10.08,-2.88,-1.77,-4.782671820173031
CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)C(C)(C)CCl,C16528865_decoy,GCR,Decoy,0,-11.9142,-2.71,-2.44,-5.056979554866159
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)c1cccs1,C16529021_decoy,GCR,Decoy,0,-12.8271,-3.57,-3.67,-5.700731658887936
O=C(C1CC1)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)Cc1ccc(F)cc1,C16530748_decoy,GCR,Decoy,0,-10.5052,-4.14,-3.76,-5.035828513384026
CCSc1nc2sc3c(c2c2nnc(SCc4ccc(Br)cc4)n12)C[C@H](C)CC3,C16846328_decoy,GCR,Decoy,0,-12.613,-2.41,,99.0
Cc1sc(C(=O)c2sc(C)c(C)c2I)c(I)c1C,C08431237_decoy,GCR,Decoy,0,-10.5561,-6.87,-2.61,-9.516491244001308
CSc1cc(-c2cccc(-c3cc(SC)cc(-c4ccccn4)n3)c2)nc(-c2ccccn2)c1,C08657503_decoy,GCR,Decoy,0,-5.69842,-3.13,-1.82,-3.058710734411195
O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)c1nc2ccc(Br)cc2s1,C22897109_decoy,GCR,Decoy,0,-11.6495,-4.61,-2.73,-5.923871994431153
C[C@H](c1ccccc1)n1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O,C03299829_decoy,GCR,Decoy,0,-9.36639,-4.58,-2.74,-4.9219318842054
Brc1ccc(SCc2cccc(CSc3ccc(Br)cc3)n2)cc1,C26289708_decoy,GCR,Decoy,0,-11.8829,-6.01,-5.23,-12.356663319617429
O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C26416833_decoy,GCR,Decoy,0,-10.9862,-3.48,-4.12,-5.0205722655163045
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1F,C33518771_decoy,GCR,Decoy,0,-5.82951,-7.77,-3.94,-4.496976094077475
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)C(=O)c1ccc2ccccc2c1,C35770596_decoy,GCR,Decoy,0,-6.35944,-4.0,-3.38,-3.5394149893385327
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C35770599_decoy,GCR,Decoy,0,-6.30328,-2.45,-4.56,-2.652515781565317
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)C1CCC1,C35808638_decoy,GCR,Decoy,0,-9.97275,-5.98,-4.09,-8.160733197299864
CCOCCn1/c(=N/C(=O)c2ccccc2I)sc2ccc(Cl)c(C)c21,C36632306_decoy,GCR,Decoy,0,-11.4228,-3.61,,99.0
Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5C6c7ccccc7C(c7ccccc76)[C@@H]5C4=O)cc3)sc2c1,C08935040_decoy,GCR,Decoy,0,-8.78412,-3.63,-5.22,-3.6744562665228746
CC(C)C[C@]1(C)CN(F)C(=O)N1CC1(C2CCCCC2)CCN(I)CC1,C39487789_decoy,GCR,Decoy,0,-9.72471,-2.65,-2.29,-3.9985265736369056
O=C(/C=C/c1cccs1)N(/N=C/c1ccc(Br)cc1)c1nc2ccc(Cl)cc2s1,C39713370_decoy,GCR,Decoy,0,-9.09794,-1.87,-3.03,-3.4560556360005017
N#C[C@H](C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1,C38189306_decoy,GCR,Decoy,0,-8.63334,-2.21,-1.82,-2.766062287413056
O=C(Oc1cccnc1Br)c1cc(Br)ccc1I,C49018985_decoy,GCR,Decoy,0,-8.82279,-7.0,-1.11,-7.64621059439326
CCCOc1c(Br)cc(Br)cc1/C=N/c1sc2c(c1C#N)CCCC2,C18996975_decoy,GCR,Decoy,0,-12.0164,-4.01,-3.46,-5.063096059839094
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1,C59333909_decoy,GCR,Decoy,0,-10.845,-8.51,-3.26,-9.37500246243171
C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S,C02852061_decoy,GCR,Decoy,0,-7.66004,-4.19,-3.57,-3.9660203473210887
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CN(C1CCCCC1)C1CCCCC1,C59503277_decoy,GCR,Decoy,0,-11.9413,-3.85,-1.29,-5.166871081171026
Cc1ccsc1/C=C1\Oc2c(cc3c(c2C)OCN(CCc2ccc(Cl)cc2Cl)C3)C1=O,C41588748_decoy,GCR,Decoy,0,-12.7954,-3.54,-0.59,-5.321619679281905
O=C(/C=C/c1ccc(Br)cc1)Oc1ccccc1/C=N\c1ccc(Br)cc1,C03658195_decoy,GCR,Decoy,0,-11.458,-6.17,-3.9,-8.178669660196421
C[C@@H]1CCc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c(C#N)c2C1,C04070076_decoy,GCR,Decoy,0,-10.382,-4.03,-5.55,-4.356727242196754
C[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C#N)C1,C04646450_decoy,GCR,Decoy,0,-10.6896,-5.09,-6.28,-7.311684796839708
Cc1nc(Nc2ccc(Br)cc2C)c2cc(C)sc2n1,C00224154_decoy,GCR,Decoy,0,-8.63763,-3.26,-3.37,-3.279644988884055
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1,C02998919_decoy,GCR,Decoy,0,-10.0308,-3.76,-0.66,-4.4271751010708895
O=C(Nc1ccc(Br)cc1Cl)c1cc2ccccc2o1,C03486587_decoy,GCR,Decoy,0,-8.43728,-8.5,-0.78,-7.26787261689446
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)c1nc2ccccc2s1,C05171472_decoy,GCR,Decoy,0,-10.303,-3.95,-1.46,-4.113104705161053
Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br,C01158901_decoy,GCR,Decoy,0,-8.93185,-5.84,-1.27,-5.443074267818128
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14457642_decoy,GCR,Decoy,0,-10.4665,-3.53,-2.37,-4.458043189610275
Clc1cc(Cl)c2c(c1Cl)[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2,C14547306_decoy,GCR,Decoy,0,-9.96928,-8.06,-0.55,-6.608164502304688
Fc1ccc([C@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@@H]23)cc1,C15218687_decoy,GCR,Decoy,0,-7.96216,23.94,0.04,7.218767209551546
CSc1ccc(Cl)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1,C15435102_decoy,GCR,Decoy,0,-10.2573,-8.12,-2.35,-8.132907044906686
N#C/C(=C/c1cc(Cl)cc(Cl)c1O)c1nc2ccccc2s1,C16545357_decoy,GCR,Decoy,0,-11.4543,-7.13,-0.75,-6.614831380597168
Cc1ccc(N[C@H](C)c2nc3ccccc3s2)c(Br)c1,C19901662_decoy,GCR,Decoy,0,-8.91152,-8.03,-1.07,-6.98754725025613
O=C(Nc1cccc2c1CCCC2)c1ccc(Br)cc1F,C19997092_decoy,GCR,Decoy,0,-8.66799,-3.03,-0.9,-3.80285369673572
CN/C(=N\c1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1,C20404800_decoy,GCR,Decoy,0,-10.1756,-8.0,-1.69,-7.722301498624013
C[C@@H](Nc1ccc(F)cc1Br)c1nc2ccccc2s1,C20430406_decoy,GCR,Decoy,0,-8.63708,-8.15,-1.0,-7.111881370102037
Cc1ccc(NC(=O)C2=Cc3sc(C)c(C)c3CS2)c(Cl)c1,C20557324_decoy,GCR,Decoy,0,-10.3219,-2.19,-2.07,-3.937492722561947
Cc1cc(F)ccc1NC(=O)C1=Cc2sc3c(c2CS1)CCCC3,C20557517_decoy,GCR,Decoy,0,-9.9545,-4.86,-0.56,-4.798569215374656
C[C@@H]1CCc2c(sc3c2CSC(C(=O)Nc2ccc(F)cc2)=C3)C1,C20557705_decoy,GCR,Decoy,0,-10.425,-1.93,-0.98,-3.779733999556993
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20708404_decoy,GCR,Decoy,0,-9.1777,34.97,-1.92,5.294045204472112
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Br)ccc1F,C21510060_decoy,GCR,Decoy,0,-8.91121,-8.29,-0.8,-7.310995233232054
CC[C@H]1CS/C(=N\c2c(Cl)cc(Br)cc2Cl)N1,C35286949_decoy,GCR,Decoy,0,-9.69134,-7.09,-4.66,-8.427627455203309
C[C@@H](Nc1cc(Br)ccc1F)c1nc2ccccc2s1,C36751020_decoy,GCR,Decoy,0,-8.76329,-8.32,-0.55,-6.789591409264908
OCc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1,C36814492_decoy,GCR,Decoy,0,-9.65548,-7.45,-1.1,-7.276330451884686
Cc1ccc(-n2c(=S)[nH]c3cc(Br)ccc32)c(Cl)c1,C36898312_decoy,GCR,Decoy,0,-9.17785,-4.35,-0.78,-3.3116627623761423
CC(C)c1cccc(-n2c(=S)[nH]c3cc(Br)ccc32)c1,C36898327_decoy,GCR,Decoy,0,-9.38307,-8.85,-0.83,-8.019554924790425
Cc1ccc([C@H](C)Nc2ccc(Br)cc2Br)o1,C36956997_decoy,GCR,Decoy,0,-8.66827,-6.38,-1.61,-8.75914512690212
Cc1ccc(N[C@@H]2CCCOc3cc(Br)ccc32)c(F)c1,C37244123_decoy,GCR,Decoy,0,-8.95066,-7.65,-0.33,-7.429403080022353
C[C@H](Nc1cccc2cnccc12)c1ccc(I)cc1,C37277660_decoy,GCR,Decoy,0,-8.90366,-8.51,-0.14,-8.09654606690953
Cc1ccc(N[C@@H](C)c2sccc2Br)c2cccnc12,C37312727_decoy,GCR,Decoy,0,-9.12821,-7.63,-2.32,-7.847792549732525
Fc1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1,C04117490_decoy,GCR,Decoy,0,-7.94187,-4.11,-0.68,-3.4332977309851653
N#C[C@@H](Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl,C37936196_decoy,GCR,Decoy,0,-9.28799,-6.79,-0.78,-8.048784159331555
N#C[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1,C37936274_decoy,GCR,Decoy,0,-9.00601,-7.22,-1.61,-7.768576182245683
N#C/C(C(=O)c1cc(Cl)cc(Cl)c1)=C1\Nc2ccccc2S1,C04058903_decoy,GCR,Decoy,0,-9.57592,-5.91,-5.3,-5.7834285217272345
S=c1[nH]cc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1,C38493047_decoy,GCR,Decoy,0,-8.44456,-2.61,-2.17,-3.027658167710277
COc1c(Br)cc(Cl)cc1[C@@H](O)c1cc2c(s1)CCC2,C40242075_decoy,GCR,Decoy,0,-10.4194,-8.8,-0.11,-17.472008889905116
CC(C)C[C@H]1CS/C(=N\c2ccccc2I)N1,C40795109_decoy,GCR,Decoy,0,-9.92583,-7.11,-0.78,-7.439873032267055
N#C[C@@H](Nc1ccccc1Br)c1ccc(Br)s1,C41678817_decoy,GCR,Decoy,0,-9.99916,-5.84,-3.52,-6.0612397536151645
OCC#Cc1ccc(COc2cc(Cl)c(Cl)cc2Cl)s1,C43682712_decoy,GCR,Decoy,0,-11.0819,-7.05,-0.89,-7.217348053765037
OCC#Cc1ccsc1COc1c(Cl)cc(Cl)cc1Cl,C43682835_decoy,GCR,Decoy,0,-10.512,-6.92,-1.98,-8.940688189753029
O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1Br,C47957339_decoy,GCR,Decoy,0,-9.38926,-6.86,-0.76,-6.766091760270633
CCc1cc2c(=O)[nH]c(-c3ccc(Br)c(C)c3)nc2s1,C48412276_decoy,GCR,Decoy,0,-9.4278,-4.62,-0.21,-4.353961788612812
COc1ccc2cc([C@@H](O)c3ccc(Br)s3)ccc2c1,C49956066_decoy,GCR,Decoy,0,-10.8134,-7.86,-0.9,-8.760999858707386
C[C@@H]1CCC[C@@]2(CS/C(=N\c3cc(Br)ccc3F)N2)C1,C53100043_decoy,GCR,Decoy,0,-9.98575,-8.51,-0.53,-8.897257059400285
CCc1cccc(C)c1NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1,C05278376_decoy,GCR,Decoy,0,-11.6988,-4.34,-1.6,-4.853088965788466
O=C(Nc1ccc(F)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)C21SCCS1,C22394977_decoy,GCR,Decoy,0,-10.3941,-4.73,-0.75,-4.821676166699576
O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(F)c(Br)c1,C60132724_decoy,GCR,Decoy,0,-8.67285,-7.62,-1.38,-6.981587981858688
CC(C)C[C@@H]1CS/C(=N\c2cc(Br)ccc2Cl)N1,C61692145_decoy,GCR,Decoy,0,-10.0408,-7.25,-0.98,-13.4307590154572
O=C(Nc1ccccc1Br)N1CC2C[C@@H]3CC1C[C@H](C2)C3,C62368065_decoy,GCR,Decoy,0,-8.64997,-6.24,-3.06,-6.483935006636266
C[C@@H](O)Cc1ccc(-c2c(Cl)cc(Br)cc2Cl)o1,C62771312_decoy,GCR,Decoy,0,-9.61206,-3.29,-1.09,-3.90120139263508
CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(Nc4cccnc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840533_decoy,GCR,Decoy,0,-12.6701,-9.02,-1.41,-18.14940338414609
COc1ccc(-n2c(SCC(N)=O)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1,C00755277_decoy,GCR,Decoy,0,-6.54638,1.15,-4.48,-1.648951955993023
CSc1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c3)cc2s1,C03372613_decoy,GCR,Decoy,0,-13.3658,-3.51,-0.66,-5.873574733727939
COC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2c1,C08904311_decoy,GCR,Decoy,0,-12.6264,-3.45,-0.93,-5.388800195406481
Cc1ccc(NC(=O)CSc2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1,C09364257_decoy,GCR,Decoy,0,-7.59249,-5.09,-3.49,-4.21994181567216
O=C(COc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12,C09414015_decoy,GCR,Decoy,0,-10.0172,3.88,-2.57,-3.0001552056124487
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1)C(N)=O,C03415344_decoy,GCR,Decoy,0,-7.80824,-4.47,-2.7,-4.072589629252716
O=C(Cn1nc(/C=C/c2ccc(O)cc2)nc1-c1ccccc1O)c1ccc(Br)cc1,C09927402_decoy,GCR,Decoy,0,-9.1674,-3.52,,99.0
Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)[C@@H](NC(=O)c1cccc(Cl)c1)C(C)C,C09886343_decoy,GCR,Decoy,0,-9.13274,-1.82,-2.44,-4.318925031018708
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H](O)COc1ccc2ccccc2c1,C11424673_decoy,GCR,Decoy,0,-8.07987,-6.16,-3.14,-5.246367433747197
Cc1ccc(-c2cnnn2-c2ccc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1,C12659585_decoy,GCR,Decoy,0,-10.747,-3.41,-4.15,-4.460536156713346
C[C@H](Sc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1-c1ccccc1)C(N)=O,C09395428_decoy,GCR,Decoy,0,-12.1656,5.85,-3.92,-2.268595232456528
O=C(NCCc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21,C14470872_decoy,GCR,Decoy,0,-10.8135,-0.1,-3.68,-4.867876228249737
O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1cccc(Br)c1,C01433872_decoy,GCR,Decoy,0,-10.489,-4.23,-1.61,-4.748831816399646
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)/C=C/c4ccco4)ccc3Cl)oc2c1,C15856565_decoy,GCR,Decoy,0,-10.6709,-4.69,-2.05,-5.203539110985222
C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1cccc(C#N)c1,C16543241_decoy,GCR,Decoy,0,-11.9056,-9.07,-4.67,-8.465791089860458
C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1ccc(C#N)cc1,C16543275_decoy,GCR,Decoy,0,-12.693,-9.35,-2.5,-8.73749904023987
Cc1cccc(-c2nnc(NC(=O)[C@H](NC(=O)c3cccc(Br)c3)C(C)C)s2)c1,C16614351_decoy,GCR,Decoy,0,-11.1819,-4.37,,99.0
O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1,C02678493_decoy,GCR,Decoy,0,-8.57467,-9.28,-2.9,-14.14785285252795
CCCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(Br)cc3)n[nH]2)cc1,C09270830_decoy,GCR,Decoy,0,-11.2727,-2.91,-5.71,-5.490450563197373
Nc1nc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)nc2ccccc12,C18259262_decoy,GCR,Decoy,0,-11.0472,-4.18,-4.06,-4.993837639541599
Nc1nc(COC(=O)CSc2nc3ccccc3s2)nc2sc3c(c12)CCCC3,C18329552_decoy,GCR,Decoy,0,-11.0762,-8.29,-2.26,-8.335599575756806
COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1,C20407048_decoy,GCR,Decoy,0,-11.2247,-4.76,-2.15,-5.322613178761522
COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)n2)cc1,C12687812_decoy,GCR,Decoy,0,-11.9583,-8.71,-0.67,-11.8445993773175
O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(NC(=O)c2cccs2)c1,C24033659_decoy,GCR,Decoy,0,-9.68134,-9.47,-4.02,-6.886484345819308
NC(=O)CCn1c(SCc2nc3ccccc3c3ccccc23)nnc1-c1cccs1,C28948049_decoy,GCR,Decoy,0,-11.7479,-3.14,-2.34,-5.1536994339435775
COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1,C30871803_decoy,GCR,Decoy,0,-9.89766,-4.58,-3.97,-4.850982338488493
CCN1C(=S)N[C@@H](c2ccc(NC(=O)c3ccc(C)cc3)cc2)C(C(=O)OC(C)C)=C1C,C33699294_decoy,GCR,Decoy,0,-8.17859,15.15,-1.8,2.8180437899341206
Cc1cccc(C)c1NC(=O)N(CCC(C)C)[C@H](C)c1nc2cc(Cl)ccc2c(=O)[nH]1,C35043915_decoy,GCR,Decoy,0,-10.1602,-5.58,-2.27,-8.279470671105495
CC(=O)c1cccc(NC(=O)Nc2nc(SCc3c(F)cccc3Cl)ns2)c1,C35313268_decoy,GCR,Decoy,0,-9.9968,-7.98,-1.58,-7.950042992890924
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)c3ccccc3C)cc2)NC(=S)N1C,C35729537_decoy,GCR,Decoy,0,-8.35532,20.16,-2.93,4.315672306117237
O=C(CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1ccc2oc3ccccc3c2c1,C24347549_decoy,GCR,Decoy,0,-10.294,-7.17,-2.52,-6.6685031561667625
COc1ccc(NC(=O)c2c(NCc3ccc(C)o3)sc3c2CCCCC3)c(OC)c1,C02909636_decoy,GCR,Decoy,0,-11.3432,-4.42,-3.71,-5.786893389394837
O=C(C(O)=C1Nc2ccccc2N1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1,C19805585_decoy,GCR,Decoy,0,-9.69611,-6.27,-3.09,-5.631966728160425
CC(C)Cc1ccc(C2=C[C@@H](C(=O)N/N=C/c3cc(Br)ccc3O)N=N2)cc1,C38932462_decoy,GCR,Decoy,0,-11.3884,-8.89,-3.0,-8.939093695109758
O=C(CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1,C19644181_decoy,GCR,Decoy,0,-12.0083,-7.17,-2.15,-8.125802526998992
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O,C39570566_decoy,GCR,Decoy,0,-10.4581,-7.58,-1.28,-9.492314466057076
N#Cc1c(NC(=O)CSc2nnc(NC3CCCCC3)s2)sc2c1CCCCC2,C36676698_decoy,GCR,Decoy,0,-13.2181,-5.64,-2.71,-6.650129837594839
Cc1cc(C)cc(C(=O)Nc2nnc(SCC(=O)Nc3cccc4ccccc34)s2)c1,C39723448_decoy,GCR,Decoy,0,-10.696,-4.04,-3.3,-4.651389188230255
CCC[C@@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)COc1ccc2ccccc2c1,C39920478_decoy,GCR,Decoy,0,-9.63537,-4.07,-1.68,-4.433300690965286
CCN(CCCNC(=O)[C@@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12)c1cccc(C)c1,C57992222_decoy,GCR,Decoy,0,-10.6174,-6.36,-1.62,-7.379283564146334
Cc1cc(Sc2nccn2C)ccc1NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C,C58173629_decoy,GCR,Decoy,0,-11.2569,-3.54,-3.75,-5.3764181343054
CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)C(=O)c3cc(C)c(C)cc3C)s2)c1,C58670222_decoy,GCR,Decoy,0,-11.5789,-6.69,-5.42,-6.950341729505553
CCCN(CCC)c1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1,C59154008_decoy,GCR,Decoy,0,-10.8967,-3.87,-2.82,-4.844738639329743
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1,C59396389_decoy,GCR,Decoy,0,-11.2182,-3.75,-1.5,-5.273186955160433
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)NS(=O)(=O)c4cccs4)cc3)sc2c1,C59831224_decoy,GCR,Decoy,0,-11.6905,-3.84,-1.36,-4.950836761834996
CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OC(=O)c1cccs1,C15947645_decoy,GCR,Decoy,0,-11.8014,-2.08,-4.51,-4.642408161214222
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S[C@@H]2NN=C(c3sc4ccccc4c3Cl)O2)c1C,C39934556_decoy,GCR,Decoy,0,-9.12438,-5.18,-3.07,-4.929974329127939
CCN1C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=NN[C@@H]1C1=CC2=C(C)C(C)=N[C@H]2C=C1,C63730258_decoy,GCR,Decoy,0,-9.65842,-2.69,-1.75,-3.848689341235327
O=C(CC1=c2ccccc2=[NH+]C1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1,C63812362_decoy,GCR,Decoy,0,-10.5993,-8.5,-4.74,-9.54178790558222
CCCCn1c(SCc2csc(Nc3ccc(C)cc3)n2)nc2cc(S(N)(=O)=O)ccc21,C03450896_decoy,GCR,Decoy,0,-11.7506,-7.87,-1.73,-9.001232664341016
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)o2)c1,C08455913_decoy,GCR,Decoy,0,-11.2651,-6.19,-5.24,-6.804973916825491
CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)n2N)cc1,C09255369_decoy,GCR,Decoy,0,-7.89441,-4.38,-3.19,-4.162271216288842
Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2N)c1,C09464305_decoy,GCR,Decoy,0,-9.4495,-7.47,-4.22,-7.261295449307665
O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)NCC(=O)Nc1ccc(F)c(F)c1F,C12596428_decoy,GCR,Decoy,0,-9.35046,-10.86,-2.49,-11.790343062759252
CCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc12,C13713270_decoy,GCR,Decoy,0,-8.22633,-3.85,-2.74,-4.032097828218981
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1,C15906012_decoy,GCR,Decoy,0,-10.0201,-3.37,-1.47,-4.738318922825643
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1,C15906014_decoy,GCR,Decoy,0,-10.1997,-4.26,-3.43,-5.067592759919837
CCc1ccc(NC(=O)N[C@H](C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)[C@H](C)CC)cc1,C16572350_decoy,GCR,Decoy,0,-10.4654,-0.34,-1.54,-4.102271881121899
CC[C@H](C)[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)Nc1nnc(-c2ccc(C)cc2)s1,C16572459_decoy,GCR,Decoy,0,-10.8081,-3.19,-2.2,-4.547245464030865
CCc1ccccc1NC(=O)N[C@H](C(=O)Nc1nnc(-c2cccc(Br)c2)s1)[C@@H](C)CC,C16572787_decoy,GCR,Decoy,0,-9.33916,-4.17,-4.22,-4.627554523753926
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)NC(=S)N1C,C16610165_decoy,GCR,Decoy,0,-11.6099,-3.49,-2.48,-5.667782322006857
CCN1C(=S)N[C@@H](c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)C(C(=O)OC(C)C)=C1C,C16610576_decoy,GCR,Decoy,0,-10.1316,1.91,-1.52,-3.328530248164056
CCN1C(=S)N[C@@H](c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)C(C(=O)OCC(C)C)=C1C,C16612543_decoy,GCR,Decoy,0,-11.0216,-1.52,-2.25,-6.210096723586706
Cc1cccc(-c2nnc(NC(=O)[C@@H](NC(=O)Nc3c(C(C)C)cccc3C(C)C)C(C)C)s2)c1,C16614569_decoy,GCR,Decoy,0,-8.7936,-3.9,-4.1,-4.396795028618322
COc1ccc(Cn2c(Nc3ccccc3N)nc(C)c(Cc3cc(C)ccc3C)c2=O)cc1OC,C16883666_decoy,GCR,Decoy,0,-5.86658,-3.75,-3.66,-3.035252636451129
Cc1ccc(C(C)C)c(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc4ccccc4c3)n2N)c1,C17150369_decoy,GCR,Decoy,0,-8.14752,-9.48,-2.09,-6.192198605107424
Nn1c(N/N=C/c2ccccc2OCc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1,C21325523_decoy,GCR,Decoy,0,-9.11973,-4.21,-3.3,-4.264839750367306
Cc1cccc(CSc2nnc(N/N=C/c3ccccc3OCc3ccc(Cl)cc3)n2N)c1,C21327965_decoy,GCR,Decoy,0,-8.96156,-9.39,-1.89,-7.04562791424379
C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)Nc1ccccc1-c1ccccc1,C21607603_decoy,GCR,Decoy,0,-9.50484,-3.75,-1.42,-4.973834964056008
COc1ccccc1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1S(=O)(=O)c1ccc(C)cc1,C33058348_decoy,GCR,Decoy,0,-7.87463,-6.16,-4.05,-4.801207783398117
CCN1C(=S)N[C@@H](c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)C(C(=O)OCC(C)C)=C1C,C34888126_decoy,GCR,Decoy,0,-10.6477,-4.2,-3.9,-6.125157600879985
CCN1C(=S)N[C@H](c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)C(C(=O)OCC(C)C)=C1C,C34888127_decoy,GCR,Decoy,0,-11.0209,-2.57,-3.0,-4.804149996013892
Cc1cc(C)cc(OCc2nc(C(=O)NC3CCC(NC(=O)Nc4cccc(Cl)c4)CC3)cs2)c1,C34906207_decoy,GCR,Decoy,0,-9.75411,-5.4,-3.04,-5.531189135515599
CC(C)c1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)NC3CCCCC3)cs2)cc1,C34906275_decoy,GCR,Decoy,0,-10.5085,-3.79,-4.61,-4.960200968872114
CC(C)c1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@H]3NC(=O)NC(C)(C)C)cs2)cc1,C34906287_decoy,GCR,Decoy,0,-10.3181,-2.81,-3.24,-4.529341373808318
CC(C)c1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)Nc3ccc(F)cc3F)cs2)cc1,C34906289_decoy,GCR,Decoy,0,-12.1701,-3.18,-3.66,-5.147681226388344
CC(C)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2csc(COc3ccccc3F)n2)cc1,C34906371_decoy,GCR,Decoy,0,-8.25301,-2.13,-4.34,-3.119586760015638
CC[C@H](C)[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1,C35268340_decoy,GCR,Decoy,0,-8.0506,25.13,-1.87,6.332089635921085
Cc1ccccc1C(=O)N/C(=C\c1ccc(OC(C)C)cc1)C(=O)NCCc1nc2ccccc2[nH]1,C35375871_decoy,GCR,Decoy,0,-7.2958,0.83,-4.31,-2.335949543725273
CCc1cccc(NC(=O)N[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)[C@@H](C)CC)c1,C35724645_decoy,GCR,Decoy,0,-10.9538,-3.44,-3.56,-5.305761560886961
CCc1cccc(NC(=O)N[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)[C@@H](C)CC)c1,C35724647_decoy,GCR,Decoy,0,-11.4499,-4.12,-2.45,-5.582712497426518
CCc1ccccc1NC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H](C)CC,C35724675_decoy,GCR,Decoy,0,-9.36219,-3.03,-2.32,-4.222645207589134
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1,C35725176_decoy,GCR,Decoy,0,-12.6507,2.12,-3.14,-3.27881242444968
CC[C@H](C)[C@H](NC(=O)Nc1ccc(SC)cc1)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1,C35725196_decoy,GCR,Decoy,0,-8.33375,-5.3,-5.3,-3.9259239576461535
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)NC(=S)N1C,C35729729_decoy,GCR,Decoy,0,-10.717,-3.0,-1.97,-5.104028907661569
COc1ccc(-c2nc(NCCc3cccs3)nc3nn(Cc4ccccc4)c(N)c23)c(F)c1,C35929068_decoy,GCR,Decoy,0,-7.15775,-3.68,-1.8,-3.625053278254018
Cc1ccc([C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccco2)C(=O)c2c(O)cccc2O)cc1,C36500668_decoy,GCR,Decoy,0,-5.60276,-5.08,-2.52,-3.8940753575582208
Cc1ccc(CN(C(=O)c2ccccc2O)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(O)cc2)o1,C36595257_decoy,GCR,Decoy,0,-6.70237,-5.02,-3.97,-4.208895161198126
CCOc1ccc(Nc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2N)cc1,C40729861_decoy,GCR,Decoy,0,-11.3252,-4.05,-2.97,-5.2002820791053805
CCCCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,C41019483_decoy,GCR,Decoy,0,-11.823,-3.13,-3.38,-4.841732324130288
COc1ccc(OC)c(Nc2nc3c(s2)C[C@@]2(C)CC[C@@H]([C@H](C)C(=O)NC4CC4)[C@@H](O)[C@H]2[C@@H]3C)c1,C43548753_decoy,GCR,Decoy,0,-8.98821,-3.17,-1.68,-3.742547912720252
CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)cc1,C09375341_decoy,GCR,Decoy,0,-10.9097,6.17,-3.28,-1.709934921588558
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(NC(=O)c4ccco4)c3)o2)cc1Cl,C22829990_decoy,GCR,Decoy,0,-12.4187,-7.97,-5.13,-7.707413059710105
CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Br)cc3)n2)cc1,C59015558_decoy,GCR,Decoy,0,-11.3501,-8.8,-3.25,-7.81762549968624
CCN(CC)c1ccc(/C=N/Nc2nc(SCc3ccc(Cl)c(Cl)c3)n[nH]2)c(O)c1,C59039087_decoy,GCR,Decoy,0,-12.3399,-6.38,-4.38,-7.861626909619903
O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)NCc1ccccc1,C59310271_decoy,GCR,Decoy,0,-11.896,-8.61,-2.54,-7.1695352981938925
C[C@H](NC(=O)CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)c1ccccc1,C59310292_decoy,GCR,Decoy,0,-12.1808,-9.03,-3.91,-7.750042877675372
C/C(=N\Nc1nc(SCC(=O)NCc2ccc(Cl)c(Cl)c2)n[nH]1)C12CC3CC(CC(C3)C1)C2,C59310720_decoy,GCR,Decoy,0,-12.6799,-5.42,-4.29,-6.081650270676292
CCOC(=O)C1CC[NH+](Cc2c(O)cc(C)c3c2O/C(=C/c2ccc([NH+](CC)CC)cc2)C3=O)CC1,C62977228_decoy,GCR,Decoy,0,-11.8212,-1.88,-4.21,-4.82114895722163
CCSc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C1C(=O)CCC2,C04003270_decoy,GCR,Decoy,0,-10.8746,-3.35,-2.35,-4.5482890527664335
CNC(=O)NC(=O)[C@@H](C)SC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F,C08749894_decoy,GCR,Decoy,0,-11.4225,-3.9,-2.44,-5.418747431224342
Cc1ccc(-n2cccc2/C=C2/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Cl,C08815757_decoy,GCR,Decoy,0,-10.2605,-5.13,-2.65,-4.657382394402609
Cc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)cc(=O)c2c1,C08869323_decoy,GCR,Decoy,0,-8.36204,-3.19,-4.41,-3.618876250786841
NC(=O)[C@H]1CN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c2ccccc2O1,C08987554_decoy,GCR,Decoy,0,-10.3873,-4.31,-5.61,-4.898692735453991
CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2C)cc1,C09238996_decoy,GCR,Decoy,0,-6.76157,-3.4,-2.2,-3.2517657246267
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(F)cccc4s3)cc2)C1,C09381765_decoy,GCR,Decoy,0,-11.871,-6.46,-2.95,-6.848530546468145
CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)NC4CCCCCC4)CC3)cc2C[C@H]1C,C09430586_decoy,GCR,Decoy,0,-11.1762,-6.86,-2.25,-6.488675588124083
COCCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(N)(=O)=O)ccc21,C09723350_decoy,GCR,Decoy,0,-12.2081,-2.7,-1.34,-4.731522789121362
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(-c2cn3ccccc3n2)cc1,C09856139_decoy,GCR,Decoy,0,-6.13084,-6.78,-2.74,-4.171265071980334
Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1,C10442086_decoy,GCR,Decoy,0,-8.3924,-3.69,-2.78,-4.186449203423417
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccccc2C(F)(F)F)n1,C11854584_decoy,GCR,Decoy,0,-6.6431,-4.95,-4.6,-3.744743004146911
Cc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NC3CC3)nc3sc4c(c3c2=O)CCC4)c(C)c1,C12722112_decoy,GCR,Decoy,0,-9.19672,-3.81,-3.28,-4.492771733333997
CCNC(=O)NC(=O)[C@H](C)Sc1nc2sc(C)c(CC)c2c(=O)n1-c1cccc(C)c1,C12820786_decoy,GCR,Decoy,0,-7.83634,-3.59,-3.59,-3.9199047240988887
CCNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3,C09963755_decoy,GCR,Decoy,0,-8.70794,-4.61,-4.0,-4.618221950685273
C[NH+]1CCN(c2ccc(Br)cc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1,C13247801_decoy,GCR,Decoy,0,-11.0588,-3.79,-2.65,-4.848466500232802
Nc1c(Br)cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1Br,C00823766_decoy,GCR,Decoy,0,-8.67048,-8.6,-2.75,-7.157186602589268
COc1ccc(NC(=S)NC(=O)c2ccc(C)c(I)c2)c([N+](=O)[O-])c1,C14004364_decoy,GCR,Decoy,0,-9.02681,-7.7,-2.24,-8.337254086395786
C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc(OCC)c1O,C15822069_decoy,GCR,Decoy,0,-9.96119,9.65,-4.78,-0.1389095045145903
O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)c1ccccc1Br,C15869282_decoy,GCR,Decoy,0,-8.93959,-7.5,-2.63,-6.907951051216757
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1,C16178009_decoy,GCR,Decoy,0,-11.1113,-3.19,-1.94,-4.599527234093695
C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O,C16255961_decoy,GCR,Decoy,0,-10.7764,-3.66,-3.38,-4.881550550204614
O=C(CSc1nnc2sc3ccccc3n12)NCC(=O)Nc1ccccc1Br,C18474057_decoy,GCR,Decoy,0,-9.56559,-3.6,-3.0,-4.516417349238183
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,C20148998_decoy,GCR,Decoy,0,-9.98227,-4.86,-1.62,-4.627538766778648
C/C(=N\NC(=O)c1cn(C)c2ccccc12)c1ccc(NC(=O)c2ccc(Br)o2)cc1,C20159524_decoy,GCR,Decoy,0,-8.11305,-3.44,-2.53,-3.674787144723166
CC(C)NC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3,C20865414_decoy,GCR,Decoy,0,-7.70967,-4.29,-2.8,-3.815296095179
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2C)c1,C22534051_decoy,GCR,Decoy,0,-11.8465,-2.47,-3.69,-4.899893407331976
Cc1ccc2nc(NC(=O)Cc3csc(Nc4ccc(S(C)(=O)=O)cc4)n3)sc2c1,C23236963_decoy,GCR,Decoy,0,-11.1951,-3.59,-2.35,-4.9824573732708455
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)cc2C1,C25322833_decoy,GCR,Decoy,0,-12.0997,-4.39,-5.6,-5.489571680927186
O=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1,C32764578_decoy,GCR,Decoy,0,-9.86688,-5.16,-3.48,-9.579561916008933
CCc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1,C33113433_decoy,GCR,Decoy,0,-11.2147,-2.67,-3.99,-4.285438564243551
O=C(NC1CCCC1)c1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1,C33114202_decoy,GCR,Decoy,0,-11.3115,-3.45,-3.75,-5.103155071292214
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(C(=O)NC(C)C)[C@H](C)C1,C35097935_decoy,GCR,Decoy,0,-8.60847,-2.42,-3.25,-4.000148415182918
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,C36082211_decoy,GCR,Decoy,0,-9.82972,-7.06,-2.94,-10.61894879227722
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)NC(=O)NC1CC1,C36240498_decoy,GCR,Decoy,0,-11.4965,-2.77,-4.38,-4.825396400264801
CC(=O)N1c2ccc(S(=O)(=O)NCC3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)cc2C[C@@H]1C,C09430622_decoy,GCR,Decoy,0,-10.338,-5.59,-2.13,-5.760741430005433
COCCNC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)sc2c1CCCC2,C08612227_decoy,GCR,Decoy,0,-11.1501,-3.59,-1.18,-5.3169895323271446
Cc1ccc2c(=O)cc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)oc2c1C,C08612394_decoy,GCR,Decoy,0,-7.8915,-5.2,-3.73,-4.155530307417202
Cc1cc(C)nc(N[C@@H](c2cccnc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)n1,C38548085_decoy,GCR,Decoy,0,-10.6224,-4.35,-4.76,-5.278294013461434
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@](C(=O)[O-])(c2ccccc2)[NH2+][C@H]3c2ccc(Cl)s2)cc1,C43219059_decoy,GCR,Decoy,0,-6.47389,-5.44,-1.91,-3.9306647292797097
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)/C1=N\Nc1cccc(CO)c1,C08861107_decoy,GCR,Decoy,0,-12.2021,-8.73,-0.68,-8.886720308658722
COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1Cl,C20737256_decoy,GCR,Decoy,0,-11.2132,-2.9,-2.45,-4.966956339307465
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc1)C2,C57614195_decoy,GCR,Decoy,0,-11.1758,-3.03,-0.79,-4.720253010000087
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O,C33226417_decoy,GCR,Decoy,0,-11.228,-7.25,-4.49,-9.254401863653488
COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccncc4)cc3[C@@H]3C=CC[C@@H]32)cc1,C58917807_decoy,GCR,Decoy,0,-7.36916,-3.54,-1.59,-3.451555277076628
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)C)C2)cc1S(=O)(=O)Nc1ccc(Cl)cc1,C59017828_decoy,GCR,Decoy,0,-11.8154,-4.88,-1.13,-5.583050584451592
O=C(Nc1ccncc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1,C59168051_decoy,GCR,Decoy,0,-10.4916,4.08,-4.93,-2.99670067394382
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2C1,C15535940_decoy,GCR,Decoy,0,-12.0799,-6.28,-1.11,-6.762919513025669
Cc1ccc(NC(=O)[C@@H]2CC(=O)NC3=NC(SCc4ccc(Cl)cc4)=NC(=O)[C@H]32)c(C)c1,C64742846_decoy,GCR,Decoy,0,-11.4757,-2.9,-2.09,-4.893228064899932
CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)cc1,C67217711_decoy,GCR,Decoy,0,-10.8454,-3.45,-4.57,-4.93594222775512
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1,C04230211_decoy,GCR,Decoy,0,-7.34032,-1.85,-3.09,-3.1526794239155134
C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3c(Cl)cc(S(N)(=O)=O)cc3Cl)cc2C1,C03344489_decoy,GCR,Decoy,0,-12.4483,-8.59,-2.29,-9.119043516984256
Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccc(N2CCCCCC2)cc1,C08719037_decoy,GCR,Decoy,0,-11.8766,-6.21,-4.55,-6.751709275517851
CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2N)cc1,C09320027_decoy,GCR,Decoy,0,-12.2551,-3.87,-2.65,-5.620797230185564
Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c(C)c1,C09324276_decoy,GCR,Decoy,0,-9.76258,-4.42,-2.85,-5.612766552230147
CCOC(=O)c1c(NC(=O)c2sc3nc(C)c(C(C)=O)cc3c2N)sc2c1CCCC2,C02353744_decoy,GCR,Decoy,0,-9.17263,-3.79,-2.27,-4.591629282151013
O=C(NC1CCCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1c(F)cccc1Cl)N2,C09505565_decoy,GCR,Decoy,0,-10.8395,-4.26,-2.92,-5.515594286644189
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c2)cc1,C09662504_decoy,GCR,Decoy,0,-10.9858,-2.86,-2.48,-6.250670332538406
NC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1,C09664477_decoy,GCR,Decoy,0,-11.3934,-2.31,-1.56,-4.753786474279036
Cc1ccc(-c2nnc(SCC(=O)Nc3sccc3C(N)=O)n2-c2ccc(C)cc2)cc1,C10263567_decoy,GCR,Decoy,0,-11.2182,-5.13,-3.51,-8.190157507697316
Cc1c(C#N)c(NC(=O)COC(=O)c2cc(Br)ccc2N)n(C2CCCC2)c1C,C11330032_decoy,GCR,Decoy,0,-9.76975,-9.2,-2.36,-9.376450245461465
Cc1ccc(C)c(SCc2nc(=O)c3c(C)c(C(=O)NNC(=O)CC(C)C)sc3[nH]2)c1,C11678454_decoy,GCR,Decoy,0,-12.2208,-9.26,-3.64,-10.316395659435388
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(CCO)c(N)c1C#N,C12376524_decoy,GCR,Decoy,0,-11.3095,-3.52,-4.69,-5.207906652414469
NC(=O)[C@H]1CC(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)=NN1c1ccccc1,C12810180_decoy,GCR,Decoy,0,-9.17494,-7.34,-4.86,-10.054893124915491
CC[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21)[C@@H](C)CC,C12887616_decoy,GCR,Decoy,0,-5.95942,-3.12,-2.3,-2.918304139337386
C[C@@H](Sc1nnc(-c2ccccc2Br)n1N)C(=O)Nc1ccc(Cl)cn1,C14248741_decoy,GCR,Decoy,0,-9.76903,-5.73,-4.32,-7.0792705795840245
C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)Nc1sccc1C(N)=O,C15803477_decoy,GCR,Decoy,0,-10.0247,-4.13,-2.8,-4.8970535202783925
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)s3)c(N)n2)cc1F,C17121060_decoy,GCR,Decoy,0,-11.2122,-8.19,-3.09,-11.2930162873701
Nc1nc(SCC(=O)Nc2ccc(F)cc2)ncc1S(=O)(=O)c1ccc(Cl)s1,C17156190_decoy,GCR,Decoy,0,-10.4446,-9.2,-3.25,-9.703871147659786
CC(C)CN(C(=O)c1sc2cc(F)ccc2c1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C21082580_decoy,GCR,Decoy,0,-10.7711,2.55,-3.3,-4.108311446477981
Cc1ccc(-n2c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc3sc4c(c3c2=O)CCCC4)cc1,C21230403_decoy,GCR,Decoy,0,-7.99697,-2.99,-3.35,-3.3995449868815752
CC(C)[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)C(=O)NC(N)=O,C21230685_decoy,GCR,Decoy,0,-7.592,-5.08,-3.96,-3.912596800274657
COc1ccc(CNC(=O)CSc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)cc1OC,C23590799_decoy,GCR,Decoy,0,-10.3202,-3.8,-2.31,-4.796618466664729
O=C(NNC(=O)c1cccc2cccnc12)c1ccc(CSc2nc3ccccc3[nH]2)cc1,C24068717_decoy,GCR,Decoy,0,-11.6826,-9.35,-3.57,-13.596201574574676
Cc1cccc(C)c1OCc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)n1N,C24272861_decoy,GCR,Decoy,0,-10.1187,-9.15,-2.0,-12.15805455932551
Cc1cccc(C)c1OCc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)n1N,C24272867_decoy,GCR,Decoy,0,-9.25978,-5.79,-1.5,-5.094507062158782
Cc1cc(Cl)ccc1OCC(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O,C27519756_decoy,GCR,Decoy,0,-10.4351,-8.33,-1.42,-10.789137863705404
O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(N2CCCC2)c(C(=O)NC[C@H]2CCCO2)c1,C00749238_decoy,GCR,Decoy,0,-11.5257,-2.6,-2.98,-5.014186619646499
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2cccc(O)c2O)c(C)c1,C36500713_decoy,GCR,Decoy,0,-8.80739,-3.7,-2.51,-3.613245787484576
NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1,C03354297_decoy,GCR,Decoy,0,-11.2001,-4.16,-3.15,-5.238358953671551
NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1,C39477938_decoy,GCR,Decoy,0,-12.1747,-3.33,-5.26,-5.584365967164694
CC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N21,C43746595_decoy,GCR,Decoy,0,-7.37959,-3.64,-2.86,-3.8903799239999968
CC[C@@H](C)n1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2sc3c(c2c1=O)CCCCC3,C08621330_decoy,GCR,Decoy,0,-9.59325,-6.04,-2.86,-9.6995727443664
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)cc1,C46643174_decoy,GCR,Decoy,0,-10.1422,8.79,-2.46,-0.687398518152616
C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C18655777_decoy,GCR,Decoy,0,-7.26108,-3.96,-2.59,-3.867712173830845
Nn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(Br)cc1,C58990586_decoy,GCR,Decoy,0,-11.7902,-7.99,-2.21,-7.397138033653403
CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccccc1,C58990926_decoy,GCR,Decoy,0,-10.4109,-8.0,-3.71,-9.228221708411562
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Br)c3)n2)cc1C,C58993867_decoy,GCR,Decoy,0,-11.2724,-9.03,-1.46,-8.002815081927189
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Br)cc3)n2)c(F)c1,C59015565_decoy,GCR,Decoy,0,-9.7902,-8.37,-3.15,-8.28180613152222
Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1,C59016408_decoy,GCR,Decoy,0,-11.8171,-8.14,-4.69,-7.957245933313571
C/C(=N/Nc1nc(SCC(=O)Nc2ccc(C)cc2Br)n[nH]1)c1ccccc1,C59020225_decoy,GCR,Decoy,0,-10.3598,-9.48,-4.41,-7.816373258048065
C/C(=N\Nc1nc(SCC(=O)Nc2cccc(Br)c2)n[nH]1)c1cccs1,C59038702_decoy,GCR,Decoy,0,-10.2212,-8.14,-3.89,-9.41174818701472
Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)C2)c1,C59348671_decoy,GCR,Decoy,0,-6.11769,-4.43,-3.03,-3.640474562329666
Cc1ccc(-c2csc(-n3[nH]c(C)c([C@@H](c4ccc(Cl)cc4)[C@@H](C#N)C(N)=O)c3=O)n2)cc1,C59461847_decoy,GCR,Decoy,0,-11.8599,19.16,-2.92,3.640417781660495
N#Cc1c(NC(=O)CSc2nc(N)cc(=O)n2-c2ccccc2)sc2c1CCCCCC2,C59513251_decoy,GCR,Decoy,0,-9.71455,-3.39,-3.51,-4.4343121195447335
O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1)c1ccco1,C59717328_decoy,GCR,Decoy,0,-11.7016,8.85,-0.79,-1.048000236910786
N#Cc1c(NC(=O)CCSc2nnc(-c3ccc(Cl)cc3)n2N)sc2c1CCCC2,C59795163_decoy,GCR,Decoy,0,-11.9406,-8.9,-2.21,-8.3489995678413
C[C@@H](Sc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1)C(=O)NC(N)=O,C28854567_decoy,GCR,Decoy,0,-6.2529,-9.26,-3.47,-5.263085664724192
Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1sc2ncccc2c1N,C64370039_decoy,GCR,Decoy,0,-10.7616,-8.39,-3.76,-7.893864726697433
Nc1c(-c2nnc(SCC(=O)Nc3ccccc3)n2C2CCCC2)sc2ncccc12,C64370061_decoy,GCR,Decoy,0,-10.9459,-7.76,-1.15,-8.750083439837866
CC1(C)CC(=O)C=C(Nc2sc3c(c2C#N)CCCC3)C1,C00998238_decoy,GCR,Decoy,0,-9.52273,-4.69,-1.3,-4.13852849480267
CSC1=N[C@@H](c2ccccc2F)C2=C(N1)c1ccccc1C2=O,C01406988_decoy,GCR,Decoy,0,-8.48669,-4.04,-1.55,-3.684719413062665
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc(Cl)c(Cl)c1,C04150436_decoy,GCR,Decoy,0,-8.92119,-3.71,-0.97,-3.659307915985405
O=c1[nH]c(CCl)nc2c1C1(CCCCC1)Cc1ccccc1-2,C04354720_decoy,GCR,Decoy,0,-10.0292,-6.03,-3.1,-6.680649133019217
Cn1nc(-c2ccccc2)c([C@H](O)C#Cc2ccccc2)c1Cl,C01392061_decoy,GCR,Decoy,0,-9.30176,-3.91,-1.95,-3.854633449975829
O=C1[C@@H](O)[C@H](c2ccccc2)c2ccccc2N1c1ccccc1,C01564173_decoy,GCR,Decoy,0,-8.74318,15.78,-0.45,2.301786675693321
O=C(/C=C/c1ccccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1,C05477798_decoy,GCR,Decoy,0,-8.20341,-3.83,-0.72,-3.622532720972009
N#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1,C05714825_decoy,GCR,Decoy,0,-8.24322,-2.69,-1.77,-3.3363322098745454
Brc1ccc2[nH]c3c(C4=NCCC4)nccc3c2c1,C05811727_decoy,GCR,Decoy,0,-9.37492,-9.39,-0.8,-7.370050566737694
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H](C)[C@@H]2C=O)cc1,C06477730_decoy,GCR,Decoy,0,-9.29054,-4.12,-0.95,-3.61814847714697
O=C(Nc1ccc2scnc2c1)c1ccc(Cl)s1,C10217452_decoy,GCR,Decoy,0,-9.01268,-2.82,-1.68,-3.625892611291399
O=C1NCCCC[C@H]1Oc1cc(Cl)c(Cl)cc1Cl,C11330729_decoy,GCR,Decoy,0,-8.80391,-7.73,-1.31,-10.465534541187733
CN(C(=O)c1cc(Cl)cc(Cl)c1)c1ccc(O)cc1,C20210615_decoy,GCR,Decoy,0,-7.29534,-7.81,-0.75,-6.4003828145225565
Cc1sc(-c2cccnc2)nc1-c1ccc2c(c1)CCCN2,C20267395_decoy,GCR,Decoy,0,-9.43542,-9.2,-0.53,-7.58231733017514
N#Cc1ccc(Nc2ccc(I)cc2)nc1,C20368546_decoy,GCR,Decoy,0,-7.48286,-5.43,0.23,-4.971991056447656
O=S1(=O)CC[C@@H](Nc2c(Cl)cc(Cl)cc2Cl)C1,C20505264_decoy,GCR,Decoy,0,-9.18445,-6.61,-0.41,-6.337075584753888
O=C1C(=Cc2c(O)ccc3ccccc23)C(=O)c2ccccc21,C25490236_decoy,GCR,Decoy,0,-8.59176,-5.63,-2.69,-4.064457498782945
Cc1ccc(-n2cc(-c3ccccc3)c3c(=S)nc[nH]c32)cc1,C32500103_decoy,GCR,Decoy,0,-8.55676,26.33,-1.55,5.327172080582586
c1cc2c(cc1-c1cn3c4c(sc3n1)CNCC4)CCCC2,C31978735_decoy,GCR,Decoy,0,-10.5049,-4.81,-0.77,-4.003062325507998
O=C1Cc2cc(C(=O)c3cc4c(s3)CCC4)c(Cl)cc2N1,C35379473_decoy,GCR,Decoy,0,-8.8846,-9.2,-0.75,-7.563417090596927
O=C(NC1CCCCC1)[C@H]1Cc2ccccc2N2CCC[C@@H]12,C35554221_decoy,GCR,Decoy,0,-8.53093,-2.67,-1.87,-3.3218485519148966
Cc1sc2[nH]c(=S)n([C@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1C,C35698317_decoy,GCR,Decoy,0,-9.03104,-4.85,-3.65,-3.4673644098827063
S=c1[nH]c2cccc(Cl)c2n1-c1cccc2ncccc12,C36897843_decoy,GCR,Decoy,0,-8.79118,-8.57,-0.86,-8.06097681965885
[H]/N=C1\S[C@@H](C)C(C)=C1c1nc2cccc(Cl)c2n1C1CC1,C37444375_decoy,GCR,Decoy,0,-9.11855,-2.87,-2.28,-3.3297701294996136
O[C@H](c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)OCCCO2,C40244992_decoy,GCR,Decoy,0,-9.42123,-8.09,-0.68,-10.256139926065297
O[C@@H](c1cc2c(cc1Cl)OCCCO2)C1CCCCC1,C40259633_decoy,GCR,Decoy,0,-8.36522,-8.47,-0.35,-8.974090447894278
CC(C)c1n[nH]c(-c2cccc(I)c2)n1,C41057143_decoy,GCR,Decoy,0,-7.89235,-6.58,-3.79,-5.455787630369316
Brc1ccc(-c2nc(C3CCCC3)n[nH]2)cc1,C41161147_decoy,GCR,Decoy,0,-8.42318,-4.38,-0.62,-4.9477526973701975
N#Cc1c(-c2c(F)cccc2Cl)c2c([nH]c1=O)CCCC2,C41516501_decoy,GCR,Decoy,0,-8.34347,-9.41,-1.78,-8.956176179032024
CCc1nc(-n2c(C)cc3c2CC(C)(C)C[C@H]3O)sc1C,C41710392_decoy,GCR,Decoy,0,-9.23065,-7.86,,99.0
Brc1ccc(Nc2cccc3cccnc23)nc1,C42376621_decoy,GCR,Decoy,0,-7.95661,-2.61,-0.99,-2.7873255748136243
O=c1[nH]c(-c2ccc(Br)cc2)nc2c1CCCC2,C42404106_decoy,GCR,Decoy,0,-8.13812,-2.87,-1.14,-2.820954913159023
O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H]1c1cccs1,C43233990_decoy,GCR,Decoy,0,-9.22149,-7.81,-0.63,-7.554094822935084
Fc1cccc(F)c1-c1nc2ncc(Br)cc2[nH]1,C43461017_decoy,GCR,Decoy,0,-7.44786,-5.19,0.06,-3.663533631153855
CC[C@@H](Cl)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3,C43554327_decoy,GCR,Decoy,0,-9.86921,-8.01,-0.59,-7.753277307427837
Cc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2ccsc2)c1,C45960216_decoy,GCR,Decoy,0,-8.24305,-5.53,-1.69,-4.677867326305547
CCc1c(C)sc2nc([C@H]3CCC[C@H](C)C3)[nH]c(=O)c12,C48622647_decoy,GCR,Decoy,0,-9.28063,-5.46,-1.19,-4.4716749138076
O=c1[nH]c(-c2ccc(Br)s2)nc2ccccc12,C48622868_decoy,GCR,Decoy,0,-8.15323,-6.89,-0.28,-6.871273451862196
Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C3)c(Br)c1,C48695138_decoy,GCR,Decoy,0,-8.44402,-7.35,-1.53,-6.35779172121503
O=C(c1cc2c(Cl)c(Cl)ccc2[nH]1)N1C[C@H]2CC[C@@H]1C2,C48817018_decoy,GCR,Decoy,0,-8.37326,-8.67,-0.17,-12.662647660211414
O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1C[C@H]2CC[C@@H]1C2,C48820912_decoy,GCR,Decoy,0,-8.15103,-8.13,-1.51,-7.332937391923443
Clc1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccsc12,C48962774_decoy,GCR,Decoy,0,-9.12291,-7.49,-0.71,-7.695304563611434
O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1C[C@H]2CC[C@@H]1C2,C48981913_decoy,GCR,Decoy,0,-8.11645,-1.85,-2.29,-4.308524742078772
Oc1ccc(Br)cc1C1=CSC2=NCCN12,C00374898_decoy,GCR,Decoy,0,-8.9853,-6.53,-0.5,-5.830812744718238
O=C1CCc2cc(C(=O)c3ccc(Cl)s3)c(F)cc2N1,C51171271_decoy,GCR,Decoy,0,-9.07714,-8.25,-0.63,-7.19161720366463
Cc1ccc([C@@H](C)NC(=O)N2CCc3sccc3C2)s1,C54730414_decoy,GCR,Decoy,0,-9.24732,-6.72,-1.07,-6.929675621725413
CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2,C58637480_decoy,GCR,Decoy,0,-9.52198,-9.32,-0.65,-9.067034126155823
O=C(NCc1ccc(Cl)s1)N1CCc2ccccc21,C43229207_decoy,GCR,Decoy,0,-8.35678,-6.19,-1.58,-6.691586774030941
CC(C)c1cc(Br)cc2c1O[C@H](C(C)C)C(=O)N2,C62564299_decoy,GCR,Decoy,0,-8.403,-6.56,-1.01,-6.543072400006968
O=C1Nc2cc(Cl)ccc2[C@H]1CC1=CC=C[C@H]2N=CC=C12,C63818843_decoy,GCR,Decoy,0,-9.0392,-7.11,-0.48,-6.881326138310788
O=C(NC[C@@H]1CCCO1)c1cc2c(=O)n3ccccc3nc2s1,C00426867_decoy,GCR,Decoy,0,-9.29623,-2.82,-1.11,-3.7856006537543454
C=C1C[C@@](Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,C01642821_decoy,GCR,Decoy,0,-8.14091,-4.21,-0.7,-3.991951736272266
C=C1C[C@](Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O,C05600874_decoy,GCR,Decoy,0,-8.11142,-7.99,-3.09,-8.01130262260423
Cc1ccc2nc(NC(=O)c3cnc4sccn4c3=O)sc2c1,C06815650_decoy,GCR,Decoy,0,-9.5734,23.41,-1.52,4.337663951698909
O=C(Nc1ccc(Br)cc1)c1ccccc1-n1cnnn1,C07609503_decoy,GCR,Decoy,0,-7.28573,-2.59,-1.56,-3.1339781739197776
CN1c2ccsc2/C(=N/NC(=O)c2ccc(F)cc2)CS1(=O)=O,C01386832_decoy,GCR,Decoy,0,-9.51744,-1.54,-4.67,-3.7419462432515056
O=C(Nc1cccc2c1CCCC2)C1=CC=CN2CCS(=O)(=O)N=C12,C09609543_decoy,GCR,Decoy,0,-9.24462,-3.57,-1.04,-3.863575554338589
Cc1cc(N2CCN(C(=O)c3cccc4c(C)c(C)[nH]c34)CC2)nc(C)n1,C12325922_decoy,GCR,Decoy,0,-9.51905,-4.23,-0.95,-3.957265882958047
Cc1nc2c3ccccc3nc(S[C@@H]3CCCCNC3=O)n2n1,C13231409_decoy,GCR,Decoy,0,-7.78683,-4.35,-2.09,-3.473210271524568
O=C1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)c2ccccc2N1,C15854679_decoy,GCR,Decoy,0,-8.43677,-4.9,-1.19,-5.071009744074047
CCn1c(=S)sc2c(=O)n3[nH]c(=O)c4ccccc4c3nc21,C21729561_decoy,GCR,Decoy,0,-8.23373,-3.08,-0.94,-3.059466598334653
O=C1CN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c2ccccc2N1,C22064431_decoy,GCR,Decoy,0,-7.10478,-5.49,-2.07,-4.240246736935568
Cc1ccc([C@@H](c2sc3ncnn3c2O)N2CCOCC2)cc1,C22609277_decoy,GCR,Decoy,0,-8.04156,-3.63,-1.64,-3.429842454746221
Cc1cc(NC(=O)c2cc3c(cc2Br)OCCO3)no1,C28048556_decoy,GCR,Decoy,0,-8.43485,-3.2,-0.61,-3.331749733098016
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc2ccccc2o1,C28924648_decoy,GCR,Decoy,0,-8.97524,-3.22,-5.15,-3.902188832182688
CCC(=O)N1CCN(C(=O)Nc2sc3c(c2C#N)CCCC3)CC1,C34785323_decoy,GCR,Decoy,0,-9.09771,-4.65,-1.22,-4.439294689850075
Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C)CCC4)CC2=O)cc1,C38511283_decoy,GCR,Decoy,0,-8.62599,-6.59,-0.49,-6.268919449332389
O=C(NC[C@H]1COC2(CCCCC2)O1)[C@H]1COc2ccccc2O1,C38568583_decoy,GCR,Decoy,0,-8.92876,-8.35,-1.4,-7.552462550409749
CSc1nnc(NC(=O)[C@H]2CC(=O)c3cc(C)ccc3O2)s1,C39016627_decoy,GCR,Decoy,0,-10.0731,-2.95,-0.76,-4.720827569147964
CC1CCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1,C36618078_decoy,GCR,Decoy,0,-9.11883,-9.56,-1.89,-14.592931765611644
Cn1nc(C(=O)Nc2ccc(C#N)cc2)c(=O)c2cc(Cl)ccc21,C40790570_decoy,GCR,Decoy,0,-9.0434,-2.39,-0.76,-3.480535677923339
CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCc2ccccc21,C41256287_decoy,GCR,Decoy,0,-8.29351,-8.94,-3.81,-9.258014104099669
Cc1nc2sc([C@H](c3ccccc3)[NH+]3CCC(=O)CC3)c([O-])n2n1,C41635571_decoy,GCR,Decoy,0,-9.03298,-4.57,-0.72,-3.8650574077859465
Cc1cc(C)cc(C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1,C41864367_decoy,GCR,Decoy,0,-9.29224,0.88,-1.88,-3.1446695211014672
Cc1csc2nc(CNc3ccc4c(c3)OCCO4)cc(=O)n12,C43303843_decoy,GCR,Decoy,0,-8.87229,-7.32,-1.08,-7.356526956243961
FC(F)(F)c1nnc2sc(-c3n[nH]cc3Br)nn12,C44900596_decoy,GCR,Decoy,0,-7.94185,-5.95,-0.56,-3.833382644145614
O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1nnc2n1CCCCC2,C46335444_decoy,GCR,Decoy,0,-8.67189,-6.28,-2.47,-4.565250798836529
Cc1ccoc1C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1,C48849847_decoy,GCR,Decoy,0,-8.40144,-5.19,-2.15,-4.394269605448149
C[C@H]1[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC[C@@H]1C,C53957254_decoy,GCR,Decoy,0,-9.2004,-2.89,-2.46,-3.757250877531885
Cn1cc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1,C55122965_decoy,GCR,Decoy,0,-8.91104,-9.28,-2.3,-9.253122774139245
O=C1CCCC2=C1[C@@H](c1ccccc1OC(F)F)n1ncnc1N2,C00223044_decoy,GCR,Decoy,0,-7.75185,-9.31,-2.38,-9.63558388875479
CC1CCC(CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1,C56818616_decoy,GCR,Decoy,0,-9.16311,-2.98,-1.55,-3.924957328562732
CN(C)C(=O)N1CCC(C(=O)N/N=C2/C[C@@H]3CC[C@@]2(C)C3(C)C)CC1,C59250216_decoy,GCR,Decoy,0,-8.84681,-4.65,-1.51,-4.768053158481636
CC[C@@H]1N=N/C(=N/C(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)S1,C39934299_decoy,GCR,Decoy,0,-9.66538,-4.1,-0.47,-4.338662921319061
CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cn(C)nc1-c1cccnc1,C63496011_decoy,GCR,Decoy,0,-8.97741,-3.72,-3.25,-3.49316797796484
CC1=NN=C2NC(=O)CS[C@H](c3c(Cl)nc4sccn34)[C@H]12,C44903396_decoy,GCR,Decoy,0,-8.95572,-3.7,-0.5,-3.259063880146182
CC1=N[C@@H](N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)SC1,C63908958_decoy,GCR,Decoy,0,-8.47879,-3.47,-1.09,-3.634431787845283
COCC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1,C58267957_decoy,GCR,Decoy,0,-7.93401,-7.78,-2.9,-8.573823466119922
Cc1csc(-c2cc(S(=O)(=O)/N=c3/cccc[nH]3)c(C)n2C)n1,C65009067_decoy,GCR,Decoy,0,-9.20992,-7.29,-1.0,-9.336416722255873
Cc1ccc(NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)c(C)c1,C65313713_decoy,GCR,Decoy,0,-9.17814,-8.09,-0.85,-7.650814133982082
C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c3cn[nH]c(=O)c32)C1,C20416257_decoy,GCR,Decoy,0,-8.96971,-9.83,-4.18,-9.95184631961544
Cc1nn(C(C)(C)C)c(C)c1[C@@H]1CC(=O)NC2=NN=C(C3CCC3)[C@H]21,C65406341_decoy,GCR,Decoy,0,-9.13571,-3.05,-1.01,-3.8983675227393104
Cc1cs/c(=N\S(=O)(=O)[C@H]2CS(=O)(=O)c3ccccc32)[nH]1,C66246996_decoy,GCR,Decoy,0,-7.93028,-7.38,,99.0
Cn1c[nH+]c(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)c1,C66254380_decoy,GCR,Decoy,0,-8.63858,-6.79,-1.61,-5.981721279205592
O=C(c1c[nH]c2ncccc12)N1CCC[C@@H]1c1cccc2c1OCCO2,C66769214_decoy,GCR,Decoy,0,-8.88344,-8.95,-0.67,-8.218368268561589
O=C(c1cccc2cn[nH]c12)N1CCC[C@H]1c1cccc2c1OCCO2,C66770793_decoy,GCR,Decoy,0,-9.17919,-10.67,-1.12,-15.413708375559192
Cc1ccc(C(=O)N2CCC(NC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1,C67422254_decoy,GCR,Decoy,0,-8.36,-3.87,-3.32,-4.077068718596468
CC[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@H]3C[C@@H](C)CC[C@@H]32)C1=O,C67517212_decoy,GCR,Decoy,0,-8.72322,-8.83,-3.4,-9.91380461688529
C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1,C67517343_decoy,GCR,Decoy,0,-9.1384,-4.89,-1.23,-5.881172637275236
Cn1c(=O)cc(C(=O)Nc2nnc(C(F)F)s2)c2ccccc21,C67551913_decoy,GCR,Decoy,0,-7.92745,-5.65,-1.09,-4.54305517313871
Cc1cc(Br)ccc1NC(=O)c1cnc2sccn2c1=O,C04121092_decoy,GCR,Decoy,0,-9.54136,-4.18,-0.52,-4.145461365936263
Cc1sc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c(C#N)c1C,C02408113_decoy,GCR,Decoy,0,-10.2164,-4.99,-3.75,-4.536756616910739
Cc1nc(C)nc(N/N=C/c2cccc(I)c2)n1,C04949113_decoy,GCR,Decoy,0,-8.07759,-6.98,-2.28,-6.138901521759633
Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1,C01195350_decoy,GCR,Decoy,0,-10.0364,-2.26,-1.61,-3.457158718052189
Cc1cc(C)cc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1,C04270401_decoy,GCR,Decoy,0,-9.55129,-8.97,-1.15,-8.944532420565928
C[C@@H]1CCC[C@]2(C1)OC[C@@H](C(=O)NC1CC1)N2C(=O)c1ccccc1F,C06776451_decoy,GCR,Decoy,0,-9.01123,-2.24,-3.79,-3.6415412560243934
C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc2c(c1)OCCO2,C09582998_decoy,GCR,Decoy,0,-8.53111,-4.18,-0.53,-3.8337757658011866
O=C(Nc1ccccc1F)C(=O)N1CCN(c2ccccc2F)CC1,C09858054_decoy,GCR,Decoy,0,-7.69873,-4.21,-2.02,-4.135755948118598
O=C(Nc1ccc(I)cn1)c1ccc2c(c1)OCCO2,C12651273_decoy,GCR,Decoy,0,-8.44196,6.26,-0.78,-0.683683100176705
O=C(C[C@H]1CSc2nccc(=O)n21)Nc1ccc(Cl)cc1Cl,C14031222_decoy,GCR,Decoy,0,-9.46588,-8.36,-1.68,-8.53334978742383
CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3n2)c1,C14622891_decoy,GCR,Decoy,0,-8.94963,-9.3,-2.33,-7.7502978827558335
Oc1c([C@H](c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12,C19879779_decoy,GCR,Decoy,0,-9.70399,-7.78,-0.1,-15.87785436521672
O=C(NCc1cccs1)c1cnc2sc3c(n2c1=O)CCCC3,C21647520_decoy,GCR,Decoy,0,-9.38106,-2.79,-3.68,-3.9138056655985634
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc2ccccc12,C22467235_decoy,GCR,Decoy,0,-8.22486,-6.82,-5.19,-7.5362000331341585
CN1CCN(C2=NC(=O)/C(=C/c3cc(Br)ccc3O)S2)CC1,C23115529_decoy,GCR,Decoy,0,-10.9097,-2.44,-0.93,-3.4544240173496816
Cc1ccc(-c2csc3nc(CN4CCOCC4)[nH]c(=O)c23)s1,C23805559_decoy,GCR,Decoy,0,-10.0198,-7.43,-0.04,-12.421665090253112
C[C@@]1(c2ccc(Br)cc2)NC(=O)N(C[C@@H]2CCCCO2)C1=O,C25792478_decoy,GCR,Decoy,0,-9.00635,-3.81,-0.99,-3.953015775969148
O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cccc2ccccc12,C31033613_decoy,GCR,Decoy,0,-8.68843,-3.82,-1.9,-4.128943157392026
Cn1c(CNc2ccc(Br)cc2Cl)cc(=O)n(C)c1=O,C36903220_decoy,GCR,Decoy,0,-7.80322,-6.77,-0.87,-6.796875770869127
COc1ccc(Br)cc1S(=O)(=O)/N=c1/cccc(C)[nH]1,C00863568_decoy,GCR,Decoy,0,-7.72615,-7.87,-0.63,-7.137159826950902
Cn1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21,C13639110_decoy,GCR,Decoy,0,-9.50511,-10.3,-2.31,-10.980257128639764
CC(=O)N1CCN(C(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1,C05505676_decoy,GCR,Decoy,0,-9.29478,-5.37,-1.01,-5.063756189796627
O=P1(Nc2ccc(Br)cn2)COc2ccccc2OC1,C06231097_decoy,GCR,Decoy,0,-7.79821,-6.24,-0.68,-6.340631086644288
O=C(Nc1ccc(F)cc1)[C@H]1CCCN(C(=O)C2=C[C@H]3N=CC=C3C=C2)C1,C39148545_decoy,GCR,Decoy,0,-9.23792,-4.52,-2.32,-4.14801233171026
CCOc1ccnc2c1C(=O)CCc1c(O)c(C)n(Br)c1-2,C39459213_decoy,GCR,Decoy,0,-9.08531,-4.06,0.58,-3.877240852251984
CCN1C(=O)C(C#N)=C(C)/C(=C\Nc2ccc(Br)cc2)C1=O,C39893371_decoy,GCR,Decoy,0,-8.70649,-2.89,-3.33,-3.2139291389099784
CC1=C[C@@H]2C(=O)N(C)C(SCc3nc4ccccc4[nH]3)=N[C@@H]2S1,C39961141_decoy,GCR,Decoy,0,-9.06613,-2.9,-3.2,-3.4526566117084143
CSC1=NC(=O)[C@H]2C(=N1)NC(=O)C[C@@H]2c1ccc(Br)cc1,C39969749_decoy,GCR,Decoy,0,-9.63185,-2.69,-2.5,-3.6445085088981735
CN(C(=O)Nc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1,C43259531_decoy,GCR,Decoy,0,-7.36804,-7.72,-0.72,-10.397660553428018
CSc1cccc(NC(=O)N2CCN(C(=O)c3ccsc3)CC2)c1,C48051087_decoy,GCR,Decoy,0,-10.7554,-1.64,-13.06,-3.759297885376876
Cn1c(-c2ccccc2)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21,C52584480_decoy,GCR,Decoy,0,-9.67647,-2.71,-3.6,-3.996462565112264
[H]/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1,C04335284_decoy,GCR,Decoy,0,-8.13805,-7.01,-1.78,-6.968192664527734
C#Cc1cccc(NC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1,C56599025_decoy,GCR,Decoy,0,-9.46164,-4.25,-1.75,-4.334572688351445
[H]/N=C1C(=C/c2ccc(N(C)C)cc2)\C(=O)N=C2Sc3ccccc3N2\1,C13817335_decoy,GCR,Decoy,0,-8.60354,-2.6,-0.73,-3.0466969539112334
CN1C(=O)/C(=C/C2=C/C(=N/Nc3ccccc3)C=CC2=O)SC1=S,C05008585_decoy,GCR,Decoy,0,-10.2794,-6.45,-1.61,-6.18607538890923
CNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C)[C@@H]3CCCC[C@H]32)c1,C61019119_decoy,GCR,Decoy,0,-9.58258,-2.73,-2.82,-3.680492944057
CCn1c(=O)oc2cc([C@H](O)c3ccc(Br)cn3)ccc21,C61870444_decoy,GCR,Decoy,0,-8.98107,-3.34,-1.79,-3.234386535677179
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(F)c1)n1ncnc1N2,C20094980_decoy,GCR,Decoy,0,-10.0018,-4.69,-3.13,-4.190699654260963
CC1=C(C)C[C@H]2C(=O)N(NC(=O)c3csc4c3CC[C@H](C)C4)C(=O)[C@H]2C1,C20572170_decoy,GCR,Decoy,0,-10.9384,-4.63,-0.76,-4.498737264262194
CN(CC(=O)N1CCCC1)C(=O)c1[nH]c2ccc(Cl)cc2c1Cl,C63692371_decoy,GCR,Decoy,0,-8.42646,-9.34,-1.49,-8.835904710408759
O=C(CC1=NC(=O)[C@H]2SC=CC2=N1)Nc1ccc(Cl)cc1Cl,C63959346_decoy,GCR,Decoy,0,-9.64139,-4.79,-4.24,-4.535018676404363
O=c1c2c3c(sc2ncn1[C@H]1COC2(CCCCC2)C1)CNCC3,C65396056_decoy,GCR,Decoy,0,-10.9312,-3.51,-1.35,-3.831141207098693
O=C1C[C@@H](c2cccc3cnccc23)c2sc(N3CCCC3)nc2CN1,C65423644_decoy,GCR,Decoy,0,-9.13304,-3.96,-3.86,-3.9342408673123472
Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc3cccnc3n2)C[C@H]1O,C65502636_decoy,GCR,Decoy,0,-9.27627,-3.94,-2.17,-4.250891266395186
O=C(c1ccc(-c2ccncc2)[nH]c1=O)N1CCCc2cc(F)c(F)cc21,C65566534_decoy,GCR,Decoy,0,-7.93138,-3.31,-4.86,-3.343325747602792
Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCNC(=O)CC3)c2C)cc1,C65903011_decoy,GCR,Decoy,0,-9.40533,-3.98,-2.81,-4.025914848222846
O=C(Nc1cc(Br)ccc1-n1cccn1)C1=COCCC1,C66788549_decoy,GCR,Decoy,0,-7.92673,-3.05,-3.14,-4.923503436940926
C#CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1,C67158085_decoy,GCR,Decoy,0,-9.4116,-2.79,-2.01,-3.934164217542349
O=C(c1ccc2[nH]cnc2c1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1,C67177091_decoy,GCR,Decoy,0,-7.70744,-7.68,-0.85,-6.406811623847685
CC(=O)NC[C@@H]1CCCN(C(=O)c2sc3nc(C)cc(C)c3c2C)C1,C67364222_decoy,GCR,Decoy,0,-9.90495,-3.51,-2.74,-4.35862423143067
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@@H]3C)cc2c1,C06135308_decoy,GCR,Decoy,0,-11.284,-5.82,-4.69,-5.829969836494499
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1,C02832531_decoy,GCR,Decoy,0,-10.428,14.0,-8.06,1.1953630543157605
[H]/N=C1C(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)/C(=O)N=C2SC(C3CCCCC3)=NN2/1,C08495614_decoy,GCR,Decoy,0,-8.06039,-3.21,-1.89,-3.396157866615713
Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)c1,C08898318_decoy,GCR,Decoy,0,-9.18176,-3.91,-3.92,-3.7503680739150704
CCNC(=O)/C(C#N)=C/c1c(Oc2ccc(Br)cc2)nc2c(C)cccn2c1=O,C02411100_decoy,GCR,Decoy,0,-5.75357,-3.64,-3.83,-2.458349275996183
CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1,C09323934_decoy,GCR,Decoy,0,-7.09953,-4.23,-4.46,-3.5037979234697065
C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O,C09366086_decoy,GCR,Decoy,0,-9.28726,-3.98,-3.95,-4.159256044096159
CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCCC4)CC3)cc2C[C@H]1C,C09396955_decoy,GCR,Decoy,0,-10.842,-3.43,-2.89,-4.466865117172905
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(Cl)c2Cl)no1,C02909378_decoy,GCR,Decoy,0,-11.3114,-7.85,-2.98,-9.905084639816597
Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12,C09500910_decoy,GCR,Decoy,0,-10.9923,-4.13,-2.52,-5.490858712954241
O=C(NN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S)c1csc2c1CCCC2,C09705088_decoy,GCR,Decoy,0,-11.0996,-3.36,-2.25,-4.229627695907236
O=C(Nc1cccc(-c2nc3ccccc3o2)c1)C1CCN(S(=O)(=O)c2cccs2)CC1,C10186819_decoy,GCR,Decoy,0,-11.6003,-5.39,-5.22,-5.493124539898272
Cc1ccc(-n2c(SCC(=O)Nc3cc(C)nn3C)nc3sc4c(c3c2=O)CCCC4)cc1,C10521210_decoy,GCR,Decoy,0,-10.6427,-4.0,-2.18,-4.703440859424722
Cc1cc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C)n1-c1ccnn1C(C)C,C10546548_decoy,GCR,Decoy,0,-10.6589,-3.6,-3.73,-4.567226008219902
CCN1C(=O)c2cccc3c(NC(=O)[C@H]4CCCN(S(=O)(=O)c5cccs5)C4)ccc1c23,C10753424_decoy,GCR,Decoy,0,-10.1202,-3.5,-35.04,-4.745048222116141
Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)nn2)n1,C11141865_decoy,GCR,Decoy,0,-7.88927,-4.48,-2.97,-3.776672798800579
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1,C11617234_decoy,GCR,Decoy,0,-9.70008,-3.23,-5.24,-4.141668694235452
Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c(Br)c1,C11775376_decoy,GCR,Decoy,0,-11.2696,-3.58,-1.62,-4.857752842158789
C[C@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccc(N(C)C)cc5)nnc4c23)C1,C00929671_decoy,GCR,Decoy,0,-10.1662,-2.84,-4.73,-3.996878346600675
Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3c4ccccc4C[C@@H]3C)c(=O)[nH]c2cc1C,C06194795_decoy,GCR,Decoy,0,-5.92792,-3.6,-2.25,-2.963896260210785
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1I,C14816955_decoy,GCR,Decoy,0,-6.29353,-4.34,-1.19,-3.043254046836076
CSc1nc2ccc(NC(=O)c3cn(C)nc3-c3ccc4c(c3)OCCCO4)cc2s1,C14841662_decoy,GCR,Decoy,0,-9.93713,42.11,-2.86,11.714981938811365
O=C(CN(C(=O)Nc1ccc(Cl)cc1Cl)C1CC1)N1CC(=O)N(c2ccc(F)cc2)C1,C16613339_decoy,GCR,Decoy,0,-9.45888,-10.4,-1.09,-12.885533506073534
Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1Cl,C20516187_decoy,GCR,Decoy,0,-10.2897,-5.15,-3.13,-4.873987993728739
COc1ccc(Cl)cc1C(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1,C20579666_decoy,GCR,Decoy,0,-12.3828,-3.98,-1.49,-5.495857878991139
Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1,C21602122_decoy,GCR,Decoy,0,-10.6386,-3.8,-3.56,-5.01025803458456
C[C@H]1CCc2c(sc3nc(S[C@H](C)C(=O)N4CCNC4=O)n(-c4ccccc4F)c(=O)c23)C1,C21603281_decoy,GCR,Decoy,0,-12.708,-2.32,-4.55,-4.837090601373016
COC(=O)C1CC[NH+]([C@H](c2cccc(Br)c2)c2sc3nc(C)nn3c2[O-])CC1,C22626299_decoy,GCR,Decoy,0,-9.46759,-3.24,-2.68,-4.099520187806431
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1,C27641731_decoy,GCR,Decoy,0,-6.77568,-4.76,-2.49,-3.5576268207272244
O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)Nc1ccc(-c2cn3ccsc3n2)cc1,C28886037_decoy,GCR,Decoy,0,-11.0865,-5.88,-3.01,-5.673686814360675
COc1ccc(-c2nnc(N/C=C3/C(=O)N(c4ccc(Br)cc4)N=C3C)s2)cc1,C08435397_decoy,GCR,Decoy,0,-12.3471,-2.73,-2.2,-4.421499940580059
CC1=NN(c2ccccc2)C(=O)/C1=C(/Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1,C17197589_decoy,GCR,Decoy,0,-10.6919,-5.75,-4.95,-5.306977068024742
CC[C@H](C)C(=O)N1CCc2[nH]nc(C(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)c2C1,C34831824_decoy,GCR,Decoy,0,-10.9416,-2.75,-3.59,-4.226121783964966
COCc1nc(N2CCN(C(=O)Nc3c(C)cccc3C)CC2)c2c3c(sc2n1)CCCC3,C35525685_decoy,GCR,Decoy,0,-8.08949,-2.1,-4.5,-3.3077592867906658
C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)c1ccc2c(c1)NC(=O)CO2,C36858822_decoy,GCR,Decoy,0,-10.4989,-10.07,-3.18,-13.6299672758314
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4C)C3)ccc21,C08600917_decoy,GCR,Decoy,0,-10.3943,-4.67,-3.93,-4.915766227199995
O=C(Nc1c2c(nn1-c1nc3ccccc3s1)CCC2)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C38884500_decoy,GCR,Decoy,0,-6.7048,-3.83,-2.2,-3.084055557452744
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CN1CCN([C@@H](C)c3nc4ccccc4s3)CC1)C2=O,C23257779_decoy,GCR,Decoy,0,-12.2166,-2.77,-3.98,-4.317482069365507
CCOc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)ccc1O,C40056002_decoy,GCR,Decoy,0,-7.3577,-3.2,-2.66,-3.3106426578610915
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1/C(=N/NC(=O)c1cccs1)CCC2,C40823658_decoy,GCR,Decoy,0,-12.3872,-3.79,-4.25,-5.041765307722556
CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)cc1,C45864706_decoy,GCR,Decoy,0,-7.88857,44.63,-2.11,11.909617293356314
O=C([C@@H]1CCCO1)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccco1,C00644918_decoy,GCR,Decoy,0,-9.45091,-4.66,-3.51,-4.666784870401077
CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCC4(CC3)OCCO4)c(O)n2n1,C36370455_decoy,GCR,Decoy,0,-7.54936,-3.02,-4.33,-2.954432563048732
O=C(N/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCCCCC1)c1ccc(Br)o1,C59201010_decoy,GCR,Decoy,0,-10.425,-3.51,-1.75,-4.7127355762604575
Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C,C59271044_decoy,GCR,Decoy,0,-9.70361,-5.5,-3.83,-4.7106695984407
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)N3CCC[C@H](C)C3)CC1)C2=O,C59579056_decoy,GCR,Decoy,0,-7.11925,-2.86,-1.05,-3.0031449894812257
Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c1,C35446071_decoy,GCR,Decoy,0,-7.80302,-5.86,-4.25,-4.603847893285081
Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c(C)c1,C35446077_decoy,GCR,Decoy,0,-5.49457,-3.96,-3.84,-2.665506112499707
CSc1nc2c(s1)c(=O)n(-c1ccc(C)cc1)c(=O)n2CC(=O)Nc1ccc(C)cc1F,C65100562_decoy,GCR,Decoy,0,-9.66895,-3.46,-2.49,-4.23630875406943
Cc1cc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccsc3c2=O)ccc1F,C67217782_decoy,GCR,Decoy,0,-10.1968,-4.76,-1.33,-5.194716512104601
Cc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2cc1C,C00925000_decoy,GCR,Decoy,0,-8.4012,-10.98,-2.34,-2.841076098121994
CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3scc(-c4ccc(C)s4)c3c1=O)OCO2,C09428975_decoy,GCR,Decoy,0,-12.0365,-3.05,-2.32,-5.164722525056972
Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c(C)c(C(=O)N(C)C)sc21,C09475053_decoy,GCR,Decoy,0,-5.83267,-4.45,-4.44,-3.561276654024635
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1,C09593510_decoy,GCR,Decoy,0,-10.7722,-3.96,-3.09,-4.7877813058317775
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N[C@@H]1CCS(=O)(=O)C1,C09689752_decoy,GCR,Decoy,0,-7.16541,-3.08,-5.03,-3.2015661554506094
Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1,C09863485_decoy,GCR,Decoy,0,-9.56739,-2.83,-4.23,-3.887532178543164
CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(Cc1ccccc1OC(C)C)c1c(C)ccc(C)c12,C09872246_decoy,GCR,Decoy,0,-5.34222,-3.52,-4.05,-2.9930113881320564
COc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2cc1OC,C10187244_decoy,GCR,Decoy,0,-11.6563,-3.57,-2.63,-5.237244462769474
C[C@H](NC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl,C11456039_decoy,GCR,Decoy,0,-6.78194,-2.8,-2.41,-3.0156435005884608
C[C@@H](NC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1Cl,C11456048_decoy,GCR,Decoy,0,-7.10175,-3.42,-3.11,-3.5859636437485656
COC(=O)c1ccc(Cl)c(NC(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2Cl)c1,C12207140_decoy,GCR,Decoy,0,-11.7035,-9.66,-0.79,-14.867868480733817
COc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(OC)c(Cn5cccn5)c4)CC(=O)N32)cc1,C12275592_decoy,GCR,Decoy,0,-11.9654,-2.19,-2.69,-4.495247183187251
N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c(-c2ccccc2)n1,C12542125_decoy,GCR,Decoy,0,-5.83665,-3.7,-2.84,-2.8451470433901034
Cc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(Cl)nc2)c2ccc3c(c2)OCO3)n1,C13563946_decoy,GCR,Decoy,0,-9.54043,-4.59,-2.01,-4.881396472758039
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1,C06089597_decoy,GCR,Decoy,0,-9.43284,-5.57,-3.03,-6.160924530349189
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)c4c(C)nc5sccn45)cc3)cc2C[C@@H]1C,C14205245_decoy,GCR,Decoy,0,-10.3662,-3.18,-3.92,-4.105413849391631
CCOC(=O)CN1C(=O)[C@]2(N[C@H](C)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c2ccccc21,C15319408_decoy,GCR,Decoy,0,-10.6589,-0.99,-1.25,-5.459116046474666
CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@@H]1CCCN1C(=O)c1cccs1,C20323817_decoy,GCR,Decoy,0,-10.5394,-4.82,-2.02,-5.132058933470243
CCOc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3sc4c(c3c2=O)CCCC4)cc1,C21464286_decoy,GCR,Decoy,0,-7.75102,-5.97,-4.64,-3.954823428057413
CC(=O)Nc1cccc(-n2cnnc2SCc2nc(-c3cccc(Br)c3)no2)c1,C23076601_decoy,GCR,Decoy,0,-11.4654,-3.14,-1.02,-4.678812481746396
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1,C25043226_decoy,GCR,Decoy,0,-11.2784,-5.06,-3.46,-5.368555568815238
Cc1ccc(-c2noc(CN3CCN(C(=O)c4ccccc4NC(=O)c4cccs4)CC3)n2)cc1,C25512073_decoy,GCR,Decoy,0,-8.918,-4.47,-1.46,-5.014981192042903
CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c1)OCO2,C28909775_decoy,GCR,Decoy,0,-11.7754,-2.92,-4.1,-5.022478685930273
CCn1c(SCc2nc(=O)c3sccc3[nH]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,C32708056_decoy,GCR,Decoy,0,-10.7352,-3.06,-3.76,-4.841283899376347
O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1,C32810406_decoy,GCR,Decoy,0,-11.0282,-4.62,-4.12,-5.32661682284459
CCN(C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1)c1cccc(C)c1,C32958589_decoy,GCR,Decoy,0,-8.11573,-3.3,-2.14,-3.4922495688146085
Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)c2)no1,C33086687_decoy,GCR,Decoy,0,-9.30834,-5.42,-2.49,-4.673536994979309
Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(Cl)cc4F)C3)c2)no1,C33129673_decoy,GCR,Decoy,0,-9.75425,-9.86,-1.19,-8.565324578994272
Cc1cc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)c(C)c1,C33279227_decoy,GCR,Decoy,0,-11.4834,-3.09,-1.62,-5.111751609042967
CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4c(C)cc(C)cc4C)C3)c2)no1,C33279404_decoy,GCR,Decoy,0,-10.9605,-4.65,-3.4,-5.211780797646667
CC1=C(C)c2c(sc3c2c(=O)n(CC(=O)N2CC2)c(=O)n3CC(=O)Nc2cccc3ccccc23)C1,C34726684_decoy,GCR,Decoy,0,-6.83337,-3.72,-3.45,-3.600382488517941
O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)[C@H]1CCCN1S(=O)(=O)c1cccs1,C36630063_decoy,GCR,Decoy,0,-11.7804,-7.26,-2.13,-12.718027847175255
CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1,C36648512_decoy,GCR,Decoy,0,-8.40127,-3.57,-1.99,-4.027524328093794
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,C08582739_decoy,GCR,Decoy,0,-10.2657,-5.2,-2.28,-5.375932537973316
COc1cc2c(cc1OC)[C@@H]1[C@@H](C2)C(C(=O)Nc2nnc(C)s2)=NN1c1ccc(Cl)cc1,C38587646_decoy,GCR,Decoy,0,-7.34801,-3.46,-1.14,-3.189656086727502
CC(C)N1C(=O)C2=C3CCC[C@@H]3SC2=N[C@@H]1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1,C39722756_decoy,GCR,Decoy,0,-7.80786,-6.31,-0.92,-4.168445711697819
O=C(Nc1ccc(-c2cnco2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl,C40146379_decoy,GCR,Decoy,0,-11.5832,-5.54,-2.63,-6.299582243725562
COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-],C40940477_decoy,GCR,Decoy,0,-8.68377,-2.51,-0.89,-4.1255917907723
O=C(NCc1cccs1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1,C49426046_decoy,GCR,Decoy,0,-11.3337,-3.94,-1.52,-4.950091870581593
CCn1c(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)nnc1N1CCOCC1,C09365095_decoy,GCR,Decoy,0,-11.9535,-2.98,-3.15,-5.278769155619052
Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(-c4nnnn4C)c3)[C@H]2c2cccs2)cc1,C58492832_decoy,GCR,Decoy,0,-9.93968,49.62,-2.77,16.24317906979627
CC(C)(C)OC(=O)NCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl,C32634728_decoy,GCR,Decoy,0,-9.94609,-3.58,-1.77,-4.694278792835185
[H]/N=C1C(=C/c2cc(Br)c(OC(=O)c3cccc(C)c3)c(OC)c2)\C(=O)N=C2C=C(C)ON2\1,C41078413_decoy,GCR,Decoy,0,-11.4351,-4.45,-1.63,-5.20207058741824
O=C(CSC1=NC(=O)[C@H]2CN(Cc3ccc4c(c3)OCO4)CCC2=N1)Nc1ccccc1Cl,C63532058_decoy,GCR,Decoy,0,-12.1154,-8.9,-3.45,-9.269320721634411
O=C(CSc1nnc2n(C[C@H]3CCCO3)c(=O)c3sccc3n12)Nc1ccccc1Cl,C35532287_decoy,GCR,Decoy,0,-9.53807,-8.2,-2.98,-8.095982818192713
CCc1ccccc1NC(=O)C1CCN(S(=O)(=O)[C@H]2C(C)=NC(C)=C2C(=O)N2CCCC2)CC1,C64491535_decoy,GCR,Decoy,0,-10.3472,-4.75,-2.91,-4.993138627802367
CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)NC4CCC(C)CC4)CC3)c(C)s2)no1,C35553889_decoy,GCR,Decoy,0,-12.5307,-7.24,-2.59,-7.615335772382078
COc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2cccc(F)c2)cc1,C64815993_decoy,GCR,Decoy,0,-5.40968,-2.16,-3.06,-2.5020528024713418
CC(C)Cn1c(=O)c2sccc2n2c(=O)n(CC(=O)Nc3ccc(Br)cc3)nc12,C65305290_decoy,GCR,Decoy,0,-8.383,-3.83,-3.06,-4.300880049812253
COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(Br)cc4)c(=O)n3c(C)n2)cc1,C67226558_decoy,GCR,Decoy,0,-11.0965,-3.92,-1.93,-5.232429141316228
Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)c2C)cc1C,C04297128_decoy,GCR,Decoy,0,-10.0898,-4.47,-1.44,-4.857712518966766
C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)N/N=C/c4ccccc4F)c(=O)c23)C1,C00958201_decoy,GCR,Decoy,0,-11.3536,-3.33,-3.33,-4.231434587943817
Cc1nn(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc3sccc3n12,C05108779_decoy,GCR,Decoy,0,-10.1984,-3.24,-1.63,-4.609613762767862
CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2sc(C)c(C)c2c1=O,C05254654_decoy,GCR,Decoy,0,-9.09845,-5.38,-3.02,-4.693801141892744
Cc1c(C(=O)NC2CCCC2)oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc12,C02459696_decoy,GCR,Decoy,0,-11.0197,-10.24,-1.86,-16.26895230295017
O=S(=O)(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1,C01212414_decoy,GCR,Decoy,0,-9.88734,-8.54,-0.65,-8.565380314757755
Cc1cc(Cl)cc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12,C02723869_decoy,GCR,Decoy,0,-10.1368,-2.37,-5.82,-3.825834345712325
COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O,C08060612_decoy,GCR,Decoy,0,-10.2288,-3.81,-2.9,-4.684793291250372
Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCCC4)CC3)ccc21,C09528614_decoy,GCR,Decoy,0,-9.54451,-4.99,-5.9,-4.780012303180999
CCn1cc(C(=O)Nc2cccc3ccccc23)c2nn(-c3ccccc3)c(=O)c-2c1,C09661454_decoy,GCR,Decoy,0,-5.78756,-2.55,-3.73,-2.320173797932647
O=C(Nc1nc2ccc(F)cc2s1)[C@H]1CCCCN1S(=O)(=O)c1cccs1,C09663953_decoy,GCR,Decoy,0,-10.4933,-3.01,-1.76,-4.575160110608256
Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1S(=O)(=O)N1CCCCC1,C09754218_decoy,GCR,Decoy,0,-9.77117,-3.77,-2.61,-4.6321071500287525
O=C(NCCc1cccc(F)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12,C09920388_decoy,GCR,Decoy,0,-10.6054,-3.2,-1.28,-4.270001095933597
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1,C12860519_decoy,GCR,Decoy,0,-10.5931,-3.26,-0.85,-4.888098865732781
O=C(CSc1nc2c3ccccc3ncn2n1)Nc1ccc(Br)cc1,C12863349_decoy,GCR,Decoy,0,-8.4971,-9.0,-4.91,-4.338800535763736
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1,C12995282_decoy,GCR,Decoy,0,-10.8854,-3.57,-2.49,-4.34496433675147
CC[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F,C13387878_decoy,GCR,Decoy,0,-10.0965,-4.15,-8.17,-4.560497518835655
CN(C(=O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21)C1CCCCC1,C14478174_decoy,GCR,Decoy,0,-8.47633,-3.61,-1.83,-3.9044932897275904
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c(C)c1,C14686116_decoy,GCR,Decoy,0,-10.5088,-4.87,-2.52,-5.1558722227085845
CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O,C16255405_decoy,GCR,Decoy,0,-9.88531,-4.01,-7.53,-4.799127831423582
CCc1cc2c(=O)n(NC(=O)c3sc(-c4cccc(Cl)c4)nc3C)cnc2s1,C17245352_decoy,GCR,Decoy,0,-11.5887,-3.82,-0.89,-4.693400880987118
Cc1nccc(-c2cccc(NC3CCN(c4ccc5c(c4)OCCO5)CC3)c2)n1,C19287573_decoy,GCR,Decoy,0,-10.5382,-3.91,-3.35,-4.366726337106947
CSc1nc2n(n1)[C@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2,C20413308_decoy,GCR,Decoy,0,-8.79113,-1.19,-2.16,-3.2231885125469795
Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(c3ccccc3)CC2)c1,C22626877_decoy,GCR,Decoy,0,-7.34587,0.01,-3.1,-2.3288908392975083
Cc1ccc(C)c(NS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1,C24218864_decoy,GCR,Decoy,0,-10.5176,-5.26,-2.62,-5.271459501539937
Cc1nc(C)c2c(C)c(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)sc2n1,C25603965_decoy,GCR,Decoy,0,-10.3112,-9.53,-2.14,-9.939399598102792
O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(Br)cc1F,C29101171_decoy,GCR,Decoy,0,-9.35566,-2.2,-1.09,-3.65042542032601
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)o1,C32827125_decoy,GCR,Decoy,0,-9.57916,-3.64,-2.3,-4.268771245723682
O=C(CN1C(=O)[C@@H](C(=O)N2CCCCC2)Sc2ccccc21)NC1CCCCCC1,C33137701_decoy,GCR,Decoy,0,-9.9948,-3.32,-2.9,-4.389471289237751
C[C@@H](NC(=O)[C@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@H]12)c1ccccc1,C35869773_decoy,GCR,Decoy,0,-6.84665,-3.93,-3.16,-3.1975466947346747
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)N1CCCCC1,C02720615_decoy,GCR,Decoy,0,-9.002,-4.52,-3.25,-4.455343050623491
COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc1,C23157329_decoy,GCR,Decoy,0,-8.22377,-3.01,-2.65,-3.6021511318098565
O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C(=O)[C@@H]2N=NC3=C2CCC3)C1,C39445619_decoy,GCR,Decoy,0,-10.5108,17.44,-0.52,2.547070070176455
COc1c(Br)cc(/C=N/NC(=O)[C@@H]2C=C(C)N=N2)cc1Br,C39780199_decoy,GCR,Decoy,0,-9.22423,-4.81,-0.69,-5.467960753215213
C[C@@H](NC(=O)c1nc(N2CCOCC2)ncc1Cl)c1ccc(Cl)c(Cl)c1,C40141105_decoy,GCR,Decoy,0,-10.6216,-4.4,-3.04,-4.979952136481466
Cc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)n(C)c(=O)c2c1,C46876907_decoy,GCR,Decoy,0,-10.9912,-4.99,-0.81,-5.123374564917398
O=C(NCc1cccs1)N1CCC[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)C1,C49426159_decoy,GCR,Decoy,0,-11.5224,-1.93,-2.01,-4.488189672234943
Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1nc2c(s1)CCCC2,C56933966_decoy,GCR,Decoy,0,-8.68631,-3.78,-1.29,-4.189523540021859
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(N3CCOCC3)o2)c1C,C59250456_decoy,GCR,Decoy,0,-10.9914,-3.44,-3.19,-4.4882312362478505
O=C(/N=c1\[nH]c2ccccc2n1-c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1,C59310070_decoy,GCR,Decoy,0,-8.79697,-4.18,-3.18,-4.58304978663942
COC(=O)c1ccc([C@@H]2CC(=O)N=C3C2=CNN3c2ccc(Br)cc2)cc1,C14000907_decoy,GCR,Decoy,0,-10.0534,20.02,-3.05,3.4916593677085053
O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(-c2ccncc2)nc2ccccc12,C60293467_decoy,GCR,Decoy,0,-10.8574,-3.35,-3.7,-4.278161997347134
CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1,C13132411_decoy,GCR,Decoy,0,-11.6083,-2.74,-0.81,-4.856953398662546
Cc1cc(C)c(C2=C3[C@@H](N=N2)C(=O)N(Cc2ccco2)[C@@H]3c2ccccc2F)c(O)c1,C08606634_decoy,GCR,Decoy,0,-9.50831,-4.26,-1.33,-4.310985675794474
CC1=C2C(=O)N=C([C@H](C)Nc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)N=C2S[C@H]1C,C64117876_decoy,GCR,Decoy,0,-11.6676,-4.07,-2.85,-4.528810092826928
O=C(NC1CCN(C(=O)[C@H]2C=C(c3ccccc3)N=N2)CC1)c1ccc2ccccc2c1,C64402465_decoy,GCR,Decoy,0,-6.46573,15.03,-2.75,2.6548904495548715
CC1=NC(C(=O)Nc2cccc(C)c2C)=C(C)[C@H]1S(=O)(=O)N1CCC(C)CC1,C64864085_decoy,GCR,Decoy,0,-9.49525,-4.02,-1.7,-4.334856216153187
O=C(Cn1nc(N2CCCCCC2)c2ccccc2c1=O)N[C@@H]1CCc2ccccc21,C65134325_decoy,GCR,Decoy,0,-5.50229,-5.24,-3.38,-3.3051309229425354
CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)Nc2cccc(F)c2C)CC3)CC1,C65273545_decoy,GCR,Decoy,0,-10.728,-0.17,-1.28,-7.8629391406099325
CC[C@@]1(N2CCN(C(=O)c3ccc(C(F)(F)F)s3)CC2)CCN(C(=O)NC)C1,C65292064_decoy,GCR,Decoy,0,-9.98168,-3.04,-1.1,-4.277897238242779
Cc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-],C00831646_decoy,GCR,Decoy,0,-8.5754,-3.91,-4.32,-3.95864551125232
CCn1cc(Cl)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)n1,C02779096_decoy,GCR,Decoy,0,-10.7017,-3.3,-4.65,-4.042438498174846
Cc1nn(CC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)cc1Cl,C02780510_decoy,GCR,Decoy,0,-10.8456,-3.87,-3.82,-4.730834313626126
CC(C)C(=O)N1[C@H](C(=O)NCc2ccc3c(c2)OCO3)CO[C@]12CCC[C@H](C)C2,C06773285_decoy,GCR,Decoy,0,-9.02602,-1.84,-1.05,-3.4490291252847496
O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(Br)o1,C08560728_decoy,GCR,Decoy,0,-9.58235,-8.46,-1.52,-8.983743076225796
O=C(Nc1nn2cc(-c3ccccc3)nc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1,C09219604_decoy,GCR,Decoy,0,-9.34137,-3.88,-1.53,-4.386461188449496
O=C(Nc1cnccn1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1,C10435163_decoy,GCR,Decoy,0,-10.1198,-4.45,-1.74,-5.053558658870501
C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)N1c2ccccc2NC(=O)C1(C)C,C11477181_decoy,GCR,Decoy,0,-4.27112,-9.69,-2.81,-6.266761151712951
CCn1c(O)c(/C=c2\c(C)c(C#N)c3nc4ccccc4n3c2=O)n(CC)c1=S,C05690650_decoy,GCR,Decoy,0,-10.3973,-4.24,-2.34,-4.600624878990188
O=C1NC2(CCCCCC2)C(=O)N1Cc1nnc(-c2ccc(Br)s2)o1,C14200752_decoy,GCR,Decoy,0,-9.81027,-3.25,-1.57,-3.953979114644437
CCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nc2ccccc21,C08461273_decoy,GCR,Decoy,0,-9.52686,-5.13,-3.26,-4.882090279288488
Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)oc2c1,C15831200_decoy,GCR,Decoy,0,-10.1965,-3.14,-1.51,-4.211193473682612
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3cnc(C)cn3)cc2N1,C19520763_decoy,GCR,Decoy,0,-9.51169,-2.72,-2.11,-4.028063237424574
Cc1cc(-c2nnc3sc(COc4ccc(Br)cc4)nn23)[nH]n1,C22501766_decoy,GCR,Decoy,0,-9.56333,-9.04,-1.29,-8.080188166934946
CC(C)c1cccc(N2C[C@H](C(=O)Nn3cnc4ccccc4c3=O)CC2=O)c1,C24834520_decoy,GCR,Decoy,0,-9.17295,-4.69,-1.72,-4.3759861150020445
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cnc2n(c1=O)CCS2,C24890535_decoy,GCR,Decoy,0,-11.3153,-7.77,-3.36,-7.88531254320312
CNC(=O)[C@@H]1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)c2ccccc2O1,C25143087_decoy,GCR,Decoy,0,-8.67548,-9.76,-2.41,-10.252552688091502
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]([C@H]1C)[C@H](OC=O)C[C@H](C)[C@]21CC[C@@]2(CO[C@@H](O)C2)O1,C31161039_decoy,GCR,Decoy,0,-8.59314,-2.84,-2.92,-3.407734799394332
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]([C@H]1C)[C@@H](OC=O)C[C@@H](C)[C@]21CC[C@@]2(CO[C@@H](O)C2)O1,C31161042_decoy,GCR,Decoy,0,-5.83154,-4.03,-1.32,-2.954837207367311
CC(C)(C)NC(=O)N1CCc2c(sc3ncn(C[C@H]4CCCO4)c(=O)c23)C1,C35518509_decoy,GCR,Decoy,0,-10.7707,17.53,-1.31,2.3653872559528257
CC(C)n1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1I,C37286093_decoy,GCR,Decoy,0,-8.04428,-7.22,-1.16,-7.565060203912737
Cc1ccc([S@@+](C)[O-])cc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21,C01040202_decoy,GCR,Decoy,0,-9.41978,-4.64,-0.93,-4.594672973320148
O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,C03207381_decoy,GCR,Decoy,0,-10.5419,-4.77,-0.38,-4.861931696001925
Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)c1,C36656545_decoy,GCR,Decoy,0,-9.64157,-7.94,-3.64,-8.905201599149427
O=C(C[C@H]1CS[C@@H]2N=C3N=NC=C3C(=O)N12)Nc1ccc(Cl)cc1Cl,C39590966_decoy,GCR,Decoy,0,-10.1585,-9.26,-2.3,-8.75211883544493
Cc1c(C(=O)N2CCCCCC2)oc2c1/C(=N/NC(=O)c1cccnc1)CCC2,C40814140_decoy,GCR,Decoy,0,-10.615,-4.39,-1.98,-5.106399921392471
O=C(CCn1c(=O)c2nncn2c2ccccc21)Nc1cc(Cl)ccc1Cl,C40841848_decoy,GCR,Decoy,0,-9.9151,-9.49,-0.66,-9.614005837359874
O=C(Nc1cccc2cnccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C43162553_decoy,GCR,Decoy,0,-9.69361,-10.31,-0.93,-9.012653118129023
O=C1C[C@H](c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)CN1c1cc(F)ccc1F,C44420813_decoy,GCR,Decoy,0,-9.23494,-5.23,-4.5,-4.947000537880093
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)nc1,C46821069_decoy,GCR,Decoy,0,-9.59394,-10.79,-3.55,-8.664459467864228
Cc1cc(C)cc(-n2nc(C)cc2NC(=O)C2CCN(S(C)(=O)=O)CC2)c1,C48331627_decoy,GCR,Decoy,0,-9.51673,-3.5,-3.39,-4.209138157721322
N#CCOc1cccc(NC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1,C48517267_decoy,GCR,Decoy,0,-9.70632,-3.51,-4.66,-4.522967672457413
CN1C[C@@H](C2=C(c3[nH]nc4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21,C52565963_decoy,GCR,Decoy,0,-5.62873,-4.85,-3.49,-3.165658757650124
Cc1nc2sccc2c(=O)n1NC(=O)c1cc(-c2ccco2)nc2ccccc12,C57635399_decoy,GCR,Decoy,0,-8.92161,-6.01,-9.5,-4.626313978418054
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-n2cnc3ccccc32)cc1,C10427889_decoy,GCR,Decoy,0,-9.16077,-4.9,-1.63,-4.422434311950813
C[C@@H]1C(=O)N2CCCc3cc(S(=O)(=O)NCc4ccc5c(c4)OCO5)cc1c32,C04850665_decoy,GCR,Decoy,0,-9.70978,-9.67,-0.56,-7.6020996808415635
O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O,C25767834_decoy,GCR,Decoy,0,-10.7308,23.66,-0.61,4.396805174430212
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c3c(c2)OCO3)cc1,C08206418_decoy,GCR,Decoy,0,-10.5707,11.64,-1.1,0.597116381906542
Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1,C61382656_decoy,GCR,Decoy,0,-8.71271,-3.58,-1.21,-4.034791348234572
O=C(NC1CCCCCCC1)[C@@H]1CCCN(C(=O)[C@H]2C=C(c3ccccn3)N=N2)C1,C63676411_decoy,GCR,Decoy,0,-9.92824,-4.57,-3.79,-4.77846090628846
[H]/N=C1/C2=C(C)N=NC2=N[C@H](SCC(=O)N2CCC(C)CC2)N1c1ccc(C)cc1,C63731773_decoy,GCR,Decoy,0,-5.32263,-6.27,-1.45,-3.485623321520644
O=C1c2ccccc2C(=O)N1CCc1nc2scc(-c3ccco3)c2c(=O)[nH]1,C63925767_decoy,GCR,Decoy,0,-9.45566,-9.15,-1.56,-11.276296238079768
CC1=NC(C(=O)Nc2cccc(C)c2C)=C(C)[C@@H]1S(=O)(=O)N1CCOCC1,C64864720_decoy,GCR,Decoy,0,-8.84244,-4.77,-1.87,-4.804256036539468
Cc1ccc(CNC(=O)Cn2nc3c4c5c(sc4ncn3c2=O)CCCC5)cc1,C64945711_decoy,GCR,Decoy,0,-8.6003,-3.71,-3.12,-4.035601643350637
O=C1COc2cc(S(=O)(=O)Oc3ccc4ncccc4c3)c(Cl)cc2N1,C65886529_decoy,GCR,Decoy,0,-9.34049,-8.9,-1.5,-8.013211383415053
CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)C1,C66803352_decoy,GCR,Decoy,0,-10.0972,-4.96,-2.19,-5.226626464387095
O=C(NCc1cn2ccccc2n1)c1csc(-c2ccc3c(c2)OCCO3)n1,C66819495_decoy,GCR,Decoy,0,-10.8967,-2.89,-1.57,-3.826661177883388
O=C(Cc1ccccc1F)N1CCN(C(=O)NCc2ccc3c(c2)OCO3)CC1,C66888266_decoy,GCR,Decoy,0,-9.19213,-3.93,-1.77,-4.299336974109486
CC(C)C(=O)N1CCC(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)CC1,C66889170_decoy,GCR,Decoy,0,-9.90278,-3.45,-5.82,-4.17902311396513
O=S1(=O)N=C(CN2CCC[C@@H]2c2cccc3c2OCCO3)Nc2ccccc21,C66898924_decoy,GCR,Decoy,0,-9.71889,-10.73,-1.48,-9.146311519563891
O=C(NC1CCCC1)c1cc(-c2ccncc2)nc2c(Cl)cccc12,C01074047_decoy,GCR,Decoy,0,-10.1448,-3.94,-1.83,-4.858503749517353
Clc1ccc(N/N=C/c2cccc(I)c2)nn1,C04452469_decoy,GCR,Decoy,0,-8.68179,-5.4,-0.64,-4.148649562108017
Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Cl)cc32)c(C)c1,C04556190_decoy,GCR,Decoy,0,-9.64997,-5.28,-1.97,-4.74464634505485
O=C(Nc1ccc(Cl)cc1Cl)N1CCS[C@@H]1c1cccnc1,C00692115_decoy,GCR,Decoy,0,-9.19375,-2.65,-0.88,-3.8490404364094304
Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)c1C,C04743535_decoy,GCR,Decoy,0,-9.58379,-3.54,-2.03,-3.5639986955534044
Cc1cc(Br)c(O)c(-c2nc(N3CCOCC3)sc2C)c1,C05534562_decoy,GCR,Decoy,0,-10.3602,-8.03,-1.53,-6.718968756160632
O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1cccc2ccccc12,C05679628_decoy,GCR,Decoy,0,-9.93231,-5.96,-1.21,-4.686928537217371
CC1=NN(C(=O)c2ccc(C)c(C(F)(F)F)c2)[C@@](O)(C(F)(F)F)C1,C06815049_decoy,GCR,Decoy,0,-7.44424,-9.21,-1.85,-6.892741516710337
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc2ccccc12,C07871181_decoy,GCR,Decoy,0,-8.79259,-6.53,-2.67,-7.564893671311532
CC(C)c1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)NC2=S)cc1,C09262618_decoy,GCR,Decoy,0,-10.5374,-1.8,-1.4,-3.66965435119963
Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1-n1cccc1,C09903497_decoy,GCR,Decoy,0,-7.36088,-5.04,-6.14,-3.6690596556161776
O=c1[nH]c(/C(Cl)=C/c2cccnc2)nc2scc(-c3cccs3)c12,C07489000_decoy,GCR,Decoy,0,-11.423,-9.37,-4.23,-13.71512653910108
Brc1ccc(/N=C/Nc2ccc(Br)cn2)nc1,C08419543_decoy,GCR,Decoy,0,-8.34071,-5.3,-0.57,-5.158996176461038
CSc1cc2c(cc1Br)CCN2C(=O)Nc1cccnc1,C13779433_decoy,GCR,Decoy,0,-8.16755,-2.7,-0.43,-3.5128389290676103
Cc1cccc([C@H]2Nc3ccc(C(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)c1,C14480323_decoy,GCR,Decoy,0,-10.6687,-12.08,-4.06,-9.58324438337956
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2,C14549694_decoy,GCR,Decoy,0,-9.74657,-8.79,-5.01,-8.244456654737109
Cc1ccn2cc(C(=O)N[C@@H](C)c3ccc(Br)cc3)nc2c1,C17961449_decoy,GCR,Decoy,0,-9.23195,-4.01,-1.4,-3.728151733203328
O=C(c1cc2ccccc2cc1O)N1CCN(Cc2ccccc2F)CC1,C17844374_decoy,GCR,Decoy,0,-9.10088,-4.75,-0.37,-4.017067174886034
O=S(=O)(Nc1ccc2c(c1)CCO2)c1ccc(Br)s1,C26543663_decoy,GCR,Decoy,0,-8.68773,-4.03,-0.53,-3.991392322330486
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1,C33097148_decoy,GCR,Decoy,0,-9.91681,-3.93,-2.54,-4.715623024327954
CC(C)n1cc(Br)cc1C(=O)Nc1ccc(Cl)c(C#N)c1,C37843675_decoy,GCR,Decoy,0,-9.75582,-3.75,-0.72,-4.353777616010257
O=C1NN(c2ccccc2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12,C01187049_decoy,GCR,Decoy,0,-9.42705,-4.11,-1.32,-3.28998678328109
Cc1nc(C)c2c(C)c(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)sc2n1,C39549225_decoy,GCR,Decoy,0,-10.219,-8.57,-4.67,-10.130526548784957
CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1,C40218515_decoy,GCR,Decoy,0,-10.0557,0.85,-0.02,-5.164979587616362
Cc1cccc(C)c1NC(=O)N1CCN(Cc2ccc(Cl)s2)CC1,C43358288_decoy,GCR,Decoy,0,-10.6745,-8.03,-5.32,-8.83167441654531
O=C(Nc1c(Cl)ccc2scnc12)c1ccc(Br)o1,C44501041_decoy,GCR,Decoy,0,-9.62539,-7.41,-0.97,-7.983892469594605
O=C1NC2(CCCCCC2)C(=O)N1Cc1csc(Br)c1,C47346916_decoy,GCR,Decoy,0,-8.81793,-2.92,0.11,-3.530922174606163
C[C@H]1CCC[C@H](C)C12NC(=O)N(Cc1ccc(Br)s1)C2=O,C48022669_decoy,GCR,Decoy,0,-9.51861,-8.11,-1.0,-9.516259155884937
O=S(=O)(N[C@@H]1CCOc2ccccc21)c1sccc1Br,C48444134_decoy,GCR,Decoy,0,-9.96512,-7.53,-1.11,-10.597612414227871
Brc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1,C02427922_decoy,GCR,Decoy,0,-9.05781,-6.33,-3.17,-7.228252765009497
O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Nc1ccccc1,C51330846_decoy,GCR,Decoy,0,-9.74295,-9.69,-0.74,-7.891340241197542
Brc1ccc(-c2nnc3n2CCN[C@@H]3c2ccccc2)s1,C53711141_decoy,GCR,Decoy,0,-9.15139,0.97,-0.7,-2.257185529048097
O=C(N/N=C1\CCCC[C@H]1c1ccccn1)c1ccc(Br)cc1,C13107515_decoy,GCR,Decoy,0,-9.69107,-3.55,-1.53,-4.626803200776164
C1=C(c2ccc3c(c2)CN(Cc2ccn[nH]2)CCO3)CCc2ccccc21,C55060950_decoy,GCR,Decoy,0,-10.1815,-2.23,-5.06,-4.20090062960901
O=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCS3)c1ccccc1F,C55502792_decoy,GCR,Decoy,0,-10.8056,-6.85,-1.22,-7.057444914857795
Cc1ccc(F)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)c1,C55980716_decoy,GCR,Decoy,0,-9.51421,-4.65,-1.45,-4.873609609191638
CCc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)s1,C57817597_decoy,GCR,Decoy,0,-10.0288,-4.12,,99.0
CN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)[C@@H]1CCCCNC1=O,C58309579_decoy,GCR,Decoy,0,-9.68819,-2.45,-1.78,-3.904720983032851
CN(C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)[C@H]1CCCCNC1=O,C58309587_decoy,GCR,Decoy,0,-10.1513,13.85,-0.85,1.1219364373834988
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1,C26686460_decoy,GCR,Decoy,0,-8.8799,-4.19,-2.01,-4.245773077058684
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCN1C(=O)C1CC1,C58758705_decoy,GCR,Decoy,0,-9.70342,-8.68,-1.71,-8.09648818487156
Cc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1,C33921834_decoy,GCR,Decoy,0,-8.29686,-0.87,-0.13,-2.8863090065388293
CCC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1,C59741768_decoy,GCR,Decoy,0,-9.68422,-8.71,-0.89,-13.500240403326009
Cc1ccccc1S[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C,C59929177_decoy,GCR,Decoy,0,-5.91707,-5.16,-0.73,-3.797566604571714
O=C1CC[C@]2(C(=O)Nc3ccc(F)c(F)c3)Sc3ccc(Cl)cc3N12,C60099254_decoy,GCR,Decoy,0,-10.005,-8.48,-0.75,-8.29414212120378
O=C(COc1ccc(Cl)cc1)N1CC[C@H](O)c2cc(Cl)ccc21,C62551299_decoy,GCR,Decoy,0,-8.33286,-5.19,-7.97,-4.440433597871244
Cc1ccc(C(=O)N2CCc3sc(C(=O)NC4CCCC4)cc3C2)cc1,C65201349_decoy,GCR,Decoy,0,-11.1184,-3.38,-1.66,-4.564918573723716
CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(=O)Nc1ccc(Cl)cc1)C2,C65273041_decoy,GCR,Decoy,0,-10.4993,-8.15,-0.8,-10.622451356183165
CC(C)c1nc2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2s1,C66879205_decoy,GCR,Decoy,0,-10.8253,-2.52,-3.38,-3.876866861551184
Cc1ccc(N(C)C(=O)C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(C)c1,C67432105_decoy,GCR,Decoy,0,-9.07603,-3.88,-3.67,-4.196926658453179
COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc5c(c4)OCCO5)sc3n2)cc1,C00663270_decoy,GCR,Decoy,0,-10.514,5.39,-5.31,-1.6693567113426016
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2,C04551147_decoy,GCR,Decoy,0,-10.4503,-3.46,-4.55,-4.217740928666566
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2,C01156133_decoy,GCR,Decoy,0,-8.08506,-2.84,-5.27,-3.152257840345861
Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NCc3ccco3)c(=O)[nH]c2c1C,C01330178_decoy,GCR,Decoy,0,-9.05414,-4.6,-6.47,-4.355945511636095
Cc1cccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Nc2cccc4ccccc24)CC3)c1,C04720582_decoy,GCR,Decoy,0,-9.80012,-4.86,-1.91,-4.405687493776764
Nn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccc(Cl)cc1,C05281914_decoy,GCR,Decoy,0,-9.64698,-6.21,-0.62,-7.116627722081687
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2noc(-c3ccccc3)c2c1,C03407975_decoy,GCR,Decoy,0,-10.0812,-5.69,-2.73,-4.424633077298994
Cc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)n2N)cc1,C07112141_decoy,GCR,Decoy,0,-11.4585,-9.12,-0.97,-11.370791057154928
C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(=O)N1CCCc2ccccc21,C08727893_decoy,GCR,Decoy,0,-9.63077,-3.9,-3.16,-4.566194018887294
C[C@H]1CCCN(c2nnc(NC(=O)Nc3ccc(Br)cc3F)s2)C1,C06791658_decoy,GCR,Decoy,0,-10.7157,24.96,-0.43,4.759523102813213
O=C1CCCC2=C1[C@@H](c1ccco1)N(C(=O)NC1CCCCC1)c1ccccc1N2,C12652256_decoy,GCR,Decoy,0,-9.85207,-2.62,-5.75,-3.754929619267125
CC1(C)Cc2c(c(-c3ccco3)nc3oc(C(=O)c4ccccc4)c(N)c23)CO1,C05261003_decoy,GCR,Decoy,0,-8.12191,-3.77,-2.13,-3.562159865358129
O=C(Nc1cccc2ccccc12)N1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1,C04158325_decoy,GCR,Decoy,0,-9.33555,-5.83,-4.21,-4.566685395439274
Cc1ccc([C@@H](C)NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1C,C14267067_decoy,GCR,Decoy,0,-8.2967,-5.37,-1.78,-4.867007964658765
Nc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n12)CCC3,C16846050_decoy,GCR,Decoy,0,-9.47074,-8.13,-2.81,-7.455627103453618
Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2c1,C05577830_decoy,GCR,Decoy,0,-11.5426,-3.45,-1.76,-4.685286133923117
Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1,C20939263_decoy,GCR,Decoy,0,-10.8934,-4.32,-3.64,-5.40629372486957
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1,C21356392_decoy,GCR,Decoy,0,-8.87223,-4.16,-4.03,-4.264008295542226
O=C1CCCC2=C1[C@H](c1ccco1)N(C(=O)NC1CCCC1)c1ccccc1N2,C21722321_decoy,GCR,Decoy,0,-9.83104,-3.4,-3.97,-4.195244574477575
O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)Nc1ccc(Cl)c(Cl)c1,C22505593_decoy,GCR,Decoy,0,-9.68873,-6.1,-1.07,-5.756685218338926
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(-c2nc3ccccc3s2)cc1,C24041878_decoy,GCR,Decoy,0,-11.3247,-5.35,-2.35,-5.122538358679045
CCOc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(O)cc4)CC3=O)Nc3onc(C)c32)cc1,C28053036_decoy,GCR,Decoy,0,-10.8049,-4.59,-2.36,-5.07277898830189
O=C(NC(=S)/N=c1\[nH]c2ccc(N3CCOCC3)cc2s1)c1ccc(F)cc1,C32127349_decoy,GCR,Decoy,0,-9.77055,-4.38,-0.65,-4.77540671798388
Cc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)c1ccc(Cl)c(Cl)c1,C34794459_decoy,GCR,Decoy,0,-10.2921,-8.38,-1.27,-9.241217466247264
Cc1ccc(NC2=NN(c3nc4ccccc4[nH]3)[C@@H]3C[C@@H](C)CC(=O)[C@H]23)cc1Cl,C38741793_decoy,GCR,Decoy,0,-10.6981,-5.56,-2.91,-5.232046391983508
Cc1cc(C)cc(NC2=NN(c3nc4ccccc4[nH]3)[C@H]3C[C@@H](C)CC(=O)[C@H]23)c1,C38741798_decoy,GCR,Decoy,0,-9.25816,-3.51,-3.54,-3.659065789807583
Cc1cc(C)cc(NC2=NN(c3nc4ccccc4[nH]3)[C@@H]3C[C@@H](C)CC(=O)[C@H]23)c1,C38741799_decoy,GCR,Decoy,0,-8.94017,-4.1,-2.1,-4.15750262342477
C1=C(c2ccccc2)N=N[C@@H]1[C@H]1NN[C@H]2SC(Cc3cccc4ccccc34)=NN12,C38743016_decoy,GCR,Decoy,0,-8.44537,-4.99,-2.43,-4.015490508405728
C1=C(c2ccccc2)N=N[C@H]1[C@@H]1NN[C@H]2SCC(c3ccc4ccccc4c3)=NN21,C38979602_decoy,GCR,Decoy,0,-9.19185,-4.6,-0.98,-4.017605109519805
S[C@H]1NN[C@@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1c(Cl)cccc1Cl,C38984246_decoy,GCR,Decoy,0,-9.79994,-6.45,,99.0
S[C@H]1NN[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1c(Cl)cccc1Cl,C38984248_decoy,GCR,Decoy,0,-11.5661,-3.46,-3.02,-4.832192285103626
N#CC1=C(N)OC2=NN=C(c3ccccc3)[C@@H]2[C@@H]1c1cccc(OC2CCCC2)c1,C04631751_decoy,GCR,Decoy,0,-9.06421,-2.5,-1.44,-5.081792012458047
COn1c(C)c(O)c2c1-c1nc3ccccc3c(-c3ccccc3O)c1C(=O)CC2,C39456553_decoy,GCR,Decoy,0,-9.95536,-3.79,-3.9,-3.8887277323176095
Cc1ccc(NC(=O)N(C(C)C)[C@@H](C)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1,C35026559_decoy,GCR,Decoy,0,-7.92672,-7.02,-3.24,-5.320133148255359
Nc1c(Cl)ncnc1Oc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1,C40428583_decoy,GCR,Decoy,0,-10.6225,-4.37,-4.15,-4.796789909487079
Cc1cc(C)cc(Oc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2N)c1,C40681318_decoy,GCR,Decoy,0,-10.6079,-3.28,-1.88,-4.089145729833518
Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NC4CCCCC4)c(C)c32)cc1,C40804595_decoy,GCR,Decoy,0,-10.2364,-5.05,-2.39,-5.297335980885119
COc1ccc(C)c(NC(=O)c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)c1,C44989844_decoy,GCR,Decoy,0,-10.0077,-4.53,-0.95,-4.439207227219935
C[C@@H]1CCc2c(sc3nc(CSc4nnc(C5CCCCC5)o4)nc(N)c23)C1,C45599438_decoy,GCR,Decoy,0,-11.9038,-8.95,-2.05,-13.74422425286192
Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1,C48121521_decoy,GCR,Decoy,0,-10.083,-4.49,-2.94,-4.779238822724281
Cc1ccc(C(=O)NC2CCN(C(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)CC2)o1,C51684046_decoy,GCR,Decoy,0,-10.0949,-3.58,-0.9,-4.875075467110251
c1ccc(/N=C2\S[C@H](c3nc4ccccc4[nH]3)N=N[C@@H]2Nc2ccccc2)cc1,C39287162_decoy,GCR,Decoy,0,-7.92601,-3.97,-2.01,-3.9045597744468985
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1,C56782948_decoy,GCR,Decoy,0,-10.086,-0.3,-1.0,-3.9056589795397376
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1,C56782950_decoy,GCR,Decoy,0,-10.7792,-6.44,-1.48,-7.101930899780632
Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2,C58866579_decoy,GCR,Decoy,0,-10.833,-4.04,-5.09,-4.044161558288414
CCCn1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2nc1=O,C10214637_decoy,GCR,Decoy,0,-10.3265,-2.76,-1.9,-4.626648304648689
Cn1/c(=N/C(=O)c2cccnc2Nc2cccc(F)c2)[nH]c2cc(Cl)ccc21,C64091369_decoy,GCR,Decoy,0,-8.96544,-2.9,-2.82,-3.553571177240971
CC[C@H]1CCc2[nH]/c(=N\S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)sc2C1,C66253053_decoy,GCR,Decoy,0,-10.423,-2.82,-1.2,-3.8828288803504254
O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)N[C@@H]1CCc2ccccc2C1,C66956847_decoy,GCR,Decoy,0,-9.57177,-4.98,-0.46,-4.967435070560896
Cc1cc(CNC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c2[nH]c(C)c(C)c2c1,C67414143_decoy,GCR,Decoy,0,-8.8693,-4.21,-4.99,-4.3947023756098655
Nc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1,C02906343_decoy,GCR,Decoy,0,-9.26552,-8.98,0.2,-9.879214567645484
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(F)c1,C00242161_decoy,GCR,Decoy,0,-8.16549,-5.85,-0.31,-5.840959827028468
N#Cc1c(N)nc(C(Cl)(Cl)Cl)nc1-c1ccccc1,C00440383_decoy,GCR,Decoy,0,-8.4518,-8.48,-3.2,-8.897564884340653
Nc1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1,C00192821_decoy,GCR,Decoy,0,-9.81429,-9.38,-0.37,-9.7477657905645
Nc1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1,C00051021_decoy,GCR,Decoy,0,-7.5596,-9.3,-4.25,-6.261828230460316
O=C1NC(=S)N/C1=C\c1ccc(-c2ccccc2Br)o1,C04679688_decoy,GCR,Decoy,0,-8.65247,-7.37,-0.94,-7.392184975781251
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2[C@@]12C=C[C@@H](CC1)C2,C00406829_decoy,GCR,Decoy,0,-9.06016,-3.41,-2.03,-3.419741223864453
Nc1c(Cl)cc2nn(-c3ccccc3)nc2c1Br,C06747703_decoy,GCR,Decoy,0,-7.47043,-8.7,-0.1,-6.502610548174536
Oc1ccc(Br)cc1C1=NN[C@@H](c2ccccn2)C1,C05338770_decoy,GCR,Decoy,0,-8.6949,-8.04,-0.25,-6.1763804336507
Nc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1,C10537019_decoy,GCR,Decoy,0,-7.49684,-3.39,-0.53,-3.3135187110954725
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@H]2CCCC=C12,C00070909_decoy,GCR,Decoy,0,-8.07698,-4.89,-1.5,-3.3150978706618908
Nc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1,C19771824_decoy,GCR,Decoy,0,-7.65874,-7.7,-0.65,-8.599705879374469
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1,C05790233_decoy,GCR,Decoy,0,-9.18315,-3.76,-3.02,-3.37284794074556
Cc1cc(N2C(=O)c3ccc(N)cc3C2=O)ccc1Br,C20244226_decoy,GCR,Decoy,0,-8.09851,-2.96,-0.59,-2.879584901659862
Cc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)s1,C02727350_decoy,GCR,Decoy,0,-8.74865,-3.0,-1.76,-3.030443292025136
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2CSCC=C12,C23410395_decoy,GCR,Decoy,0,-9.34947,-4.11,0.27,-3.4271982278635447
O=C(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Br)s1,C35368906_decoy,GCR,Decoy,0,-7.10413,-7.5,0.17,-8.037522197757022
Nc1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CO2,C35453675_decoy,GCR,Decoy,0,-8.47476,-8.7,-3.38,-7.199592992565955
O=C(Nc1cccc(Br)n1)c1cc(Br)c[nH]1,C35678766_decoy,GCR,Decoy,0,-7.91002,-7.18,-0.79,-5.669615011867946
Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1,C35696777_decoy,GCR,Decoy,0,-7.37761,-4.82,-1.44,-3.8238080024013135
Nc1onc(-c2ccncc2)c1-c1cccc(Br)c1,C36765976_decoy,GCR,Decoy,0,-7.84257,-7.97,0.44,-12.889755300089565
C[C@@H](c1ccccn1)n1c(N)nc2cc(Br)ccc21,C36899787_decoy,GCR,Decoy,0,-6.80566,-7.27,-0.97,-6.574531255496764
O=C(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1Br,C36942334_decoy,GCR,Decoy,0,-7.38075,-8.15,-1.2,-8.58621552829826
Nc1onc(-c2ccncc2)c1-c1ccc(Br)cc1,C37350101_decoy,GCR,Decoy,0,-8.20455,-3.69,-0.54,-3.846744891017696
Cn1nc(-c2ccco2)c(-c2ccc(Br)cc2)c1N,C37351510_decoy,GCR,Decoy,0,-8.44158,-6.83,-1.86,-6.926854784721633
N#Cc1cc(NC(=O)c2cc(Br)c[nH]2)ccc1Cl,C37497146_decoy,GCR,Decoy,0,-8.63121,-6.21,-1.03,-5.167314940376188
Cn1c(=O)c(-c2cc(Br)ccc2N)nc2ccccc21,C00495008_decoy,GCR,Decoy,0,-8.56659,-8.58,0.08,-7.781784007165715
ON1C(c2c(F)c(F)c(F)c(F)c2F)N(O)[C@@H]2CCCC[C@H]21,C04772845_decoy,GCR,Decoy,0,-8.88493,-2.03,0.05,-2.436440283335427
Cn1c(-c2sc(=S)n(-c3ccccc3)c2N)nc2ccccc21,C01477081_decoy,GCR,Decoy,0,-8.51156,-3.59,-0.48,-3.361909228820991
Nc1ccc(Cl)c(S(=O)(=O)N2CCSc3ccccc32)c1,C40324863_decoy,GCR,Decoy,0,-8.97742,-8.18,-2.64,-9.502363319480835
O=c1[nH]c(Nc2ccc(Br)cc2)nc2c1CSC2,C41597820_decoy,GCR,Decoy,0,-8.74285,-6.18,-0.26,-5.889140030700102
Nc1ccc2nc(Sc3ncnc4ccsc34)sc2c1,C42143806_decoy,GCR,Decoy,0,-10.4391,-6.43,-0.46,-7.3377075212276255
Nc1ccc2oc(Sc3ccc(Br)cn3)nc2c1,C42143998_decoy,GCR,Decoy,0,-9.36105,-7.67,-0.79,-7.467839863406671
O=C(c1ccc(Br)c(F)c1)c1ccc2[nH]c(=O)[nH]c2c1,C43576291_decoy,GCR,Decoy,0,-7.36526,-8.13,-2.78,-6.384139032298847
O=c1[nH]c2ccc([C@@H](O)c3ccc(Br)c(F)c3)cc2o1,C43577917_decoy,GCR,Decoy,0,-8.86201,-7.51,-3.39,-8.195677500765273
C[C@H](c1nc2ccccc2s1)n1ncc(Br)c1N,C43666135_decoy,GCR,Decoy,0,-8.56146,-3.9,-0.68,-3.3704307009635697
Nc1cccc(F)c1S(=O)(=O)N1CCC[C@@H]2CCCC[C@@H]21,C45147753_decoy,GCR,Decoy,0,-7.44733,-3.19,-0.76,-3.0118890370292624
Cc1ccc(Oc2c(N)cnc3ccc(Br)cc23)cn1,C50211847_decoy,GCR,Decoy,0,-9.12492,-7.8,-1.67,-7.584406559688031
Cc1nn(Cc2ccc(N)c3cccnc23)c(C)c1Br,C50588701_decoy,GCR,Decoy,0,-7.96429,-2.2,-2.01,-3.048788516531833
Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)s1)CCC2,C51296463_decoy,GCR,Decoy,0,-9.59873,-7.54,-0.26,-8.13180049217073
Cn1nc(C2CCCC2)nc1-c1ccc(Br)cc1N,C54699169_decoy,GCR,Decoy,0,-8.75045,-3.36,-0.72,-3.43153853874775
O=c1[nH]c2ccc(/N=C/c3ccc(Br)cc3)cc2[nH]1,C16400415_decoy,GCR,Decoy,0,-8.6093,-3.86,-0.93,-3.439382697972072
Cc1cc(-c2nn(C)c(N)c2-c2ccccc2Br)c(C)o1,C55334135_decoy,GCR,Decoy,0,-8.22143,-3.43,-2.16,-3.327008329915414
Cn1nc(-c2ccncc2)c(-c2ccc(Cl)c(Cl)c2)c1N,C50039471_decoy,GCR,Decoy,0,-8.1562,-4.3,-1.4,-3.3322093084411466
Cc1cc(Br)cc(C)c1NC(=O)c1ccc2cn[nH]c2c1,C61670127_decoy,GCR,Decoy,0,-9.55058,6.83,-1.17,-1.10998726188795
O=C(Nc1ccc(Br)cc1)c1n[nH]c2c1CCCC2,C62126177_decoy,GCR,Decoy,0,-8.68324,-7.7,-1.05,-8.271164505055832
Cc1ncc(-c2nc(-c3ccccc3Br)cs2)c(N)n1,C62329442_decoy,GCR,Decoy,0,-9.54538,-7.21,-0.71,-9.091482649058024
Cc1ncc(-c2nc(-c3cccc(Br)c3)cs2)c(N)n1,C62329481_decoy,GCR,Decoy,0,-9.85158,-8.45,,99.0
Nc1c(Br)cccc1-c1nc(-c2ccsc2)no1,C62826741_decoy,GCR,Decoy,0,-9.49546,-7.59,-3.5,-6.248347347827813
Cc1c2c(=O)n(N)c(-c3ccccc3)cc2c(-c2ccccc2)n1C,C67340117_decoy,GCR,Decoy,0,-9.11747,-3.74,-4.73,-3.772930220218006
C[C@@H](CCCO)[C@H]1CC[C@H]2[C@H]3C=C[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C,C03844012_decoy,GCR,Decoy,0,-10.6437,-3.75,-0.61,-4.464374617635028
C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@]21C,C13398813_decoy,GCR,Decoy,0,-11.1787,-3.44,-0.74,-4.526808941033847
C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@]21C,C13398822_decoy,GCR,Decoy,0,-10.883,-3.13,-0.55,-4.343290555624424
C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@]21C,C13401090_decoy,GCR,Decoy,0,-10.7073,-3.58,-1.01,-4.179673636904806
CCCCc1ccc(N[C@H](CC)c2ccc(Br)cc2)cc1,C19231584_decoy,GCR,Decoy,0,-9.38427,-8.31,-2.3,-8.686648702164975
CCc1ccc([C@H](C)Nc2ccc(I)cc2)cc1,C20477303_decoy,GCR,Decoy,0,-8.51507,-3.1,-3.94,-2.5024956331936226
CC[C@@H](Nc1ccc(I)cc1)c1ccc(C)cc1,C20477460_decoy,GCR,Decoy,0,-7.84048,-7.19,-0.31,-7.77650694349426
CC[C@H](Nc1ccc(I)cc1)c1ccc(C)cc1,C20477462_decoy,GCR,Decoy,0,-8.71219,-8.15,-0.35,-8.657818409342719
CC[C@@H](Nc1cccc(I)c1)c1ccc(C)cc1,C20478696_decoy,GCR,Decoy,0,-7.59455,-7.04,-0.78,-7.308701768115901
Cc1ccc(C)c([C@H](C)Nc2cccc(I)c2)c1,C20478736_decoy,GCR,Decoy,0,-8.46645,-1.99,-4.25,-3.1250847638417203
C[C@H](Nc1cccc(I)c1)c1ccc2ccccc2c1,C20478958_decoy,GCR,Decoy,0,-9.25013,-8.21,-1.09,-10.582542906569
CC[C@H](C)[C@@H](C)Nc1c(Br)cc(C)cc1Br,C20486964_decoy,GCR,Decoy,0,-8.77812,-5.71,-0.39,-8.945101178030091
CC[C@@H](C)[C@H](C)Nc1c(Br)cc(C)cc1Br,C20486967_decoy,GCR,Decoy,0,-8.77959,-6.36,-5.23,-7.668804931926507
C[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1,C21502988_decoy,GCR,Decoy,0,-8.11688,-7.18,-1.59,-6.6064619169779855
C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1,C21512846_decoy,GCR,Decoy,0,-9.10292,-6.9,-1.27,-7.032629249262073
C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1,C21512847_decoy,GCR,Decoy,0,-8.73043,-6.84,-1.3,-6.456165582384753
CCCCc1ccc([C@@H](C)Nc2ccc(Br)cc2F)cc1,C21518478_decoy,GCR,Decoy,0,-8.87067,-7.66,-0.82,-8.311472592467263
C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1,C21787941_decoy,GCR,Decoy,0,-9.06166,-7.39,-0.38,-11.581589711878678
CCCCCc1ccc(N[C@@H](C)c2ccc(Br)cc2)cc1,C21811614_decoy,GCR,Decoy,0,-8.97488,-6.92,-3.16,-8.029165811757489
CCCCCc1ccc(N[C@H](C)c2ccc(Br)cc2)cc1,C21811616_decoy,GCR,Decoy,0,-9.50183,-7.95,-0.67,-8.484885195356455
Fc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1Br,C22152227_decoy,GCR,Decoy,0,-9.53006,-7.69,-3.33,-8.920638985315959
CCCCc1ccc([C@@H](C)Nc2cc(Br)ccc2F)cc1,C36750600_decoy,GCR,Decoy,0,-9.32226,-7.35,-1.34,-8.213757323155573
Ic1ccccc1NC1CC(c2ccccc2)C1,C36840589_decoy,GCR,Decoy,0,-8.07861,-7.71,-2.17,-7.176339989521208
Fc1ccc(NC2CC(c3ccccc3Br)C2)c(F)c1F,C36841605_decoy,GCR,Decoy,0,-8.76416,-8.28,-0.12,-7.528517555907342
CC[C@H](Nc1ccc([C@@H](C)CC)cc1)c1ccc(Br)cc1,C36953343_decoy,GCR,Decoy,0,-9.48368,-7.09,-0.7,-6.900702873334557
CC[C@@H](C)c1ccc(N[C@H](CC)c2ccc(Br)cc2)cc1,C36953344_decoy,GCR,Decoy,0,-8.76383,-7.65,-1.94,-8.434681165347605
CC[C@H](C)c1ccc(N[C@H](CC)c2ccc(Br)cc2)cc1,C36953345_decoy,GCR,Decoy,0,-9.02783,-7.9,-0.92,-12.318440398907638
Brc1ccc(NC(C2CC2)C2CC2)c(Br)c1,C36956984_decoy,GCR,Decoy,0,-8.57864,-5.48,-1.36,-7.667692308422079
C[C@@H](Nc1ccccc1SCC(F)(F)F)c1ccc(Cl)s1,C36990175_decoy,GCR,Decoy,0,-9.00192,-7.26,-0.52,-7.935884061139525
CCc1ccc([C@H](C)N[C@H](C)Cc2ccc(Br)cc2)cc1,C37000317_decoy,GCR,Decoy,0,-8.60052,-7.11,-0.75,-8.086743955955562
CC[C@@H](C)C[C@H](CC)Nc1ccc(C)c(I)c1,C37055990_decoy,GCR,Decoy,0,-8.29384,-6.26,-2.61,-6.536815129954839
Cc1ccc(N[C@H](C)c2ccccc2C)cc1I,C37056030_decoy,GCR,Decoy,0,-9.07593,-8.06,-1.02,-7.376415370291368
Cc1ccc([C@H](C)Nc2ccc(C)c(I)c2)cc1,C37056054_decoy,GCR,Decoy,0,-8.96036,-2.63,-1.59,-3.3839941871245105
CC[C@H](Nc1ccc(I)cc1C)c1cccs1,C37057075_decoy,GCR,Decoy,0,-8.98483,-6.63,-2.82,-8.117309697801556
CC[C@@H](Nc1ccc(I)cc1C)c1cccs1,C37057076_decoy,GCR,Decoy,0,-9.08332,-6.91,-1.11,-12.373945966231846
C[C@@H](Nc1ccc(I)cc1Cl)c1ccc(F)cc1,C37105427_decoy,GCR,Decoy,0,-8.39394,-6.33,-0.37,-6.038607229567721
Clc1cc(I)ccc1NC(C1CC1)C1CC1,C37105434_decoy,GCR,Decoy,0,-8.58132,-6.37,-4.78,-9.574230060446425
C[C@@H](Nc1cccc2c1CCCC2)c1ccc(F)c(Br)c1,C37197372_decoy,GCR,Decoy,0,-9.00924,-7.72,-1.21,-8.263931393996296
C[C@H](Nc1cc(Cl)cc(Cl)c1)c1sccc1Br,C37199675_decoy,GCR,Decoy,0,-9.72909,-6.87,-1.61,-7.915751901506012
Cc1cc(C)cc(N[C@H](C)c2ccc(I)cc2)c1,C37212455_decoy,GCR,Decoy,0,-8.55302,-3.96,-0.74,-3.8445601828345417
CCc1ccc(N[C@@H](C)c2ccc(I)cc2)cc1,C37212958_decoy,GCR,Decoy,0,-8.39183,-6.33,-0.57,-7.397060522929256
CCc1ccc(N[C@H](C)c2ccc(I)cc2)cc1,C37212960_decoy,GCR,Decoy,0,-8.33265,-2.48,-0.54,-3.623278944988878
C[C@H](Nc1cccc(Cl)c1Cl)c1sccc1Br,C37243796_decoy,GCR,Decoy,0,-9.69622,-6.63,-1.94,-10.08747328881918
C[C@@H](Nc1cccc(Cl)c1Cl)c1sccc1Br,C37243798_decoy,GCR,Decoy,0,-9.73563,-6.27,-0.58,-6.732167057237712
CC(C)[C@@H](Nc1ccc(Br)cc1Cl)c1cccs1,C37252787_decoy,GCR,Decoy,0,-9.46487,-7.26,-0.86,-10.721009823140523
C[C@@H](Nc1ccc2sccc2c1)c1ccc(F)c(Br)c1,C37282576_decoy,GCR,Decoy,0,-9.19287,-7.19,-0.46,-7.758928043226544
C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1sccc1Br,C37304598_decoy,GCR,Decoy,0,-11.2663,-7.67,-1.14,-9.08526793470362
CC(C)[C@H](N[C@@H](C)Cc1ccc(Br)cc1)c1cccs1,C37293108_decoy,GCR,Decoy,0,-9.84589,-7.13,-2.17,-13.09966609616913
C[NH+](C)[C@H](c1ccccc1)[C@@H]1CCC[C@@H]1[PH+](C1CCCCC1)C1CCCCC1,C43220951_decoy,GCR,Decoy,0,-5.7636,-2.55,-3.33,-2.38180219187352
C[NH+](C)[C@@H](c1ccccc1)[C@H]1CCC[C@H]1P(C1CCCCC1)C1CCCCC1,C43763922_decoy,GCR,Decoy,0,-10.6084,-2.79,-2.64,-4.30689850478128
CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3,C03824122_decoy,GCR,Decoy,0,-13.1629,-10.97,-1.99,-11.221268547996113
Clc1cccc(Nc2nc3ccccc3nc2/C=C/c2cccs2)c1,C04344087_decoy,GCR,Decoy,0,-9.66112,-2.61,-2.76,-3.81878069115553
CC(=NNc1cc(Cl)ccc1Cl)c1csc(-c2ccccc2)n1,C04394539_decoy,GCR,Decoy,0,-9.91507,-7.99,-0.64,-6.962526443900391
S=c1sc2ccccc2n1/C(=N/Nc1ccccc1)c1ccccc1,C04499119_decoy,GCR,Decoy,0,-9.57221,-8.59,-1.06,-9.21421459710822
CC(C)(C)c1cc(SC(=O)C(C(F)(F)F)C(F)(F)F)cc(C(C)(C)C)c1O,C03620924_decoy,GCR,Decoy,0,-8.37215,-5.95,-0.88,-7.928404550289652
CC(C)c1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1,C02614770_decoy,GCR,Decoy,0,-10.0507,-7.96,-3.64,-10.018924284399477
Fc1nc(F)c(F)c(N/N=C/c2ccccc2OCc2ccccc2)c1F,C08403650_decoy,GCR,Decoy,0,-7.70493,-9.38,-1.67,-7.383690939921446
Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)c1,C13071979_decoy,GCR,Decoy,0,-9.81965,-5.72,-2.6,-4.915567799280264
CC(C)=CCC[C@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3,C13387121_decoy,GCR,Decoy,0,-12.6003,-10.95,-1.16,-10.917660136857656
C/C(=N\Nc1cc(Cl)ccc1Cl)c1csc(-c2ccccc2)n1,C13469563_decoy,GCR,Decoy,0,-9.89887,-7.99,-1.13,-6.766128551285782
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2,C13639087_decoy,GCR,Decoy,0,-11.5198,-5.43,-4.5,-5.864958797402998
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2,C14462540_decoy,GCR,Decoy,0,-10.7116,17.16,-3.96,2.178123213806637
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2,C14463167_decoy,GCR,Decoy,0,-11.359,-3.39,-4.24,-4.829468920522029
C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2,C14463257_decoy,GCR,Decoy,0,-11.3054,-10.61,-1.22,-10.246148234350306
CCCCOc1cccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21,C14463318_decoy,GCR,Decoy,0,-9.83935,-3.23,-3.11,-4.277962049683136
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2,C14463381_decoy,GCR,Decoy,0,-10.5303,-9.98,-2.4,-9.43275193447917
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2,C14463384_decoy,GCR,Decoy,0,-10.4786,-3.46,-1.54,-4.736230386065403
CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2,C14552107_decoy,GCR,Decoy,0,-10.4515,-4.2,-0.12,-4.78419805035182
Clc1ccc(-c2nc(Nc3cccc(Cl)c3)c3ccccc3n2)cc1,C08994578_decoy,GCR,Decoy,0,-10.2633,-3.49,-2.08,-3.622112455296632
Ic1ccc(N[C@H](c2ccccc2)C2CCCCC2)cc1,C20477094_decoy,GCR,Decoy,0,-9.74568,-3.93,-1.59,-4.664535021759153
CCCc1ccc([C@@H](C)Nc2ccc(I)cc2)cc1,C20477418_decoy,GCR,Decoy,0,-8.68876,-6.97,-0.42,-12.859896152669371
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2,C20697712_decoy,GCR,Decoy,0,-11.0081,2.73,-5.07,-2.7154218357593147
CCCCOc1cccc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21,C20698258_decoy,GCR,Decoy,0,-9.14082,-2.38,-2.32,-3.9804107837151728
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(SC)cc1)N2,C20759212_decoy,GCR,Decoy,0,-11.5756,-10.01,-1.44,-10.347864949204524
CC(C)[C@H]1CC[C@H](C)C(=Cc2ccc(/N=C\c3ccccc3O)cc2)C1=O,C16667536_decoy,GCR,Decoy,0,-9.88519,-4.07,-0.63,-4.305811733348977
Cc1ccc2nc(-c3cccc(Cl)c3)c(Nc3c(C)cccc3C)n2c1,C35157246_decoy,GCR,Decoy,0,-8.05559,-3.35,-2.87,-3.162065256918535
CCC[C@@H](Nc1ccc(C)c(I)c1)c1ccc(Cl)cc1,C37055572_decoy,GCR,Decoy,0,-9.0914,-7.37,-1.42,-7.754231286390932
CCc1ccc([C@@H](C)Nc2ccc(C)c(I)c2)cc1,C37055986_decoy,GCR,Decoy,0,-8.42314,-7.46,-3.14,-6.559628919023985
CCc1ccc([C@@H](C)Nc2ccc(I)cc2C)cc1,C37057289_decoy,GCR,Decoy,0,-8.6284,-7.26,-0.78,-10.576278338488086
Cc1ccc(C)c([C@@H](C)Nc2ccc(I)cc2Cl)c1,C37105187_decoy,GCR,Decoy,0,-9.25456,-1.86,-2.13,-3.0882803824281977
CC[C@H](Nc1cc(Br)ccc1Br)c1ccc(C)cc1,C37121831_decoy,GCR,Decoy,0,-9.28008,-8.77,-0.12,-10.214417438847246
Clc1ccc(Cl)c(N[C@@H](c2cccs2)c2ccc(Cl)s2)c1,C37188185_decoy,GCR,Decoy,0,-10.8746,-7.76,-2.27,-9.07104734937883
CC[C@@H](Nc1ccc(C)cc1Br)c1ccc(Cl)c(Cl)c1,C37188947_decoy,GCR,Decoy,0,-9.7718,-7.95,-2.84,-8.816418741055568
CC[C@H](Nc1ccc(Br)cc1C)c1ccc(Cl)c(Cl)c1,C37196966_decoy,GCR,Decoy,0,-10.115,-7.84,-2.5,-8.516880866768291
C[C@H](Nc1ccccc1Br)c1ccc(Cl)c(Cl)c1Cl,C37203416_decoy,GCR,Decoy,0,-9.54396,-7.16,-1.03,-7.940592641767218
CCCCc1ccc(N[C@H](C)c2ccc(I)cc2)cc1,C37232673_decoy,GCR,Decoy,0,-8.63987,-7.26,-4.4,-6.705298080757719
CCCCC[C@@H](Nc1ccc(I)cc1)c1ccccc1,C37247612_decoy,GCR,Decoy,0,-8.57895,-6.02,-1.53,-8.271842631574447
Cc1cc(Br)c(NC(C2CC2)C2CC2)c(Br)c1,C37466856_decoy,GCR,Decoy,0,-9.07953,-6.16,0.02,-8.943444582871626
c1ccc(/N=C(\c2ccccc2)[C@H](Nc2ccccc2)c2ccccc2)cc1,C37638189_decoy,GCR,Decoy,0,-8.97895,-4.35,-2.31,-4.781119617906058
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C,C36371797_decoy,GCR,Decoy,0,-12.8238,-4.11,-0.85,-5.057241661466696
Cc1cc(C)c(-c2ccnc(Nc3ccc(-c4ccccc4)cc3)n2)c(C)c1,C40857975_decoy,GCR,Decoy,0,-9.16506,-3.77,-2.55,-4.015456968208726
O=C(Nc1ccccc1SC(F)(F)F)c1ccc(Br)o1,C44317939_decoy,GCR,Decoy,0,-7.59968,-6.17,-1.96,-6.461546070223287
O=P1(NC2CCCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1,C03205468_decoy,GCR,Decoy,0,-5.20262,-3.81,-4.2,-2.78397483481903
CC(C)[C@@H]1CC[C@H](C)/C(=C/c2ccc(/N=C/c3ccccc3O)cc2)C1=O,C32593043_decoy,GCR,Decoy,0,-10.6453,-2.29,0.23,-4.216744705322154
CCc1ccccc1/N=C(\Nc1ccccc1CC)S[C@@H]1C=CCCC1,C59225389_decoy,GCR,Decoy,0,-10.0435,-6.8,-4.39,-9.02515824268394
CCc1ccc(/N=C(\Nc2ccc(CC)cc2)S[C@H]2C=CCCC2)cc1,C59225405_decoy,GCR,Decoy,0,-11.3289,-8.53,-2.98,-10.125795175388978
CCc1ccc(/N=C(\Nc2ccc(CC)cc2)S[C@@H]2C=CCCC2)cc1,C59225406_decoy,GCR,Decoy,0,-11.0744,-4.92,-4.79,-8.24762495869764
CSc1cccc(/N=C(\Nc2cccc(SC)c2)S[C@@H]2C=CCCC2)c1,C59225571_decoy,GCR,Decoy,0,-11.7143,-7.21,-4.34,-9.030085843391952
CCCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Br)c1,C64985587_decoy,GCR,Decoy,0,-11.8822,-6.57,-0.98,-6.899991015077379
CC[C@H](CNc1cc(Cl)c(Cl)cc1Cl)Oc1ccc(C)cc1,C66163333_decoy,GCR,Decoy,0,-9.06191,-7.87,-1.77,-8.848568352101768
O=P1(Nc2ccc(Cl)c(Cl)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1,C03164046_decoy,GCR,Decoy,0,-9.66469,-6.19,-3.48,-8.338997461011925
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1,C02084050_decoy,GCR,Decoy,0,-11.1068,-2.75,-4.79,-4.3783211860878914
Cc1ccc(C2=NN(C(=S)NC3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1,C04666119_decoy,GCR,Decoy,0,-9.88148,-5.04,-1.98,-4.773158397944743
OC(C[C@@H](c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1,C01646504_decoy,GCR,Decoy,0,-10.7556,-4.11,-4.41,-5.133857064900721
FC(F)(F)c1nc(Nc2ccc3ccccc3c2)sc1-c1cccc(Cl)c1,C04455989_decoy,GCR,Decoy,0,-9.78021,-4.78,-1.77,-4.84572431693101
C[C@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)c1ccccc1,C03205512_decoy,GCR,Decoy,0,-8.94485,-2.77,-3.25,-3.7895926654149017
COc1ccc(C(C)(C)C)cc1NC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2,C02755040_decoy,GCR,Decoy,0,-10.5685,14.01,-2.99,1.1117018807553112
Clc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1,C05667265_decoy,GCR,Decoy,0,-9.11547,-4.92,-2.17,-4.637457383607424
Cc1cc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c(C)n1CC(F)(F)F,C05923233_decoy,GCR,Decoy,0,-9.82142,-7.69,-4.4,-8.310241096392291
Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(Nc3ccccc3)s2)cc1,C05800107_decoy,GCR,Decoy,0,-10.9491,-4.82,-2.23,-5.414106114617866
Cc1ccc(OCC(=O)NC2CCCCCCCCCCC2)c(Br)c1,C06189466_decoy,GCR,Decoy,0,-9.16799,-4.77,-2.15,-4.466667093009015
Clc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1,C06242380_decoy,GCR,Decoy,0,-10.868,6.91,-5.06,-1.3152486242126198
CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O,C08396030_decoy,GCR,Decoy,0,-6.81663,-2.48,-2.94,-2.983722483488068
Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)S2)cc1,C08408121_decoy,GCR,Decoy,0,-10.4725,-10.12,-3.49,-13.733441739507482
Cc1cc(CSCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C)c1O,C03112044_decoy,GCR,Decoy,0,-10.7582,-7.22,-4.23,-10.731100948687754
O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,C02061308_decoy,GCR,Decoy,0,-9.75277,7.76,-3.07,-0.8793529911319213
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)s1,C02109675_decoy,GCR,Decoy,0,-8.32061,-3.52,-3.37,-3.9612163465290697
O=C1C(Nc2cc(Cl)cc(Cl)c2)=C2CCCCC=C2N1c1cc(Cl)cc(Cl)c1,C12428306_decoy,GCR,Decoy,0,-11.8983,-2.76,-2.02,-4.546571775986575
CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C,C12445201_decoy,GCR,Decoy,0,-10.6466,-1.18,-2.36,-7.531891593606954
Clc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1,C05790647_decoy,GCR,Decoy,0,-10.0381,-3.13,-2.62,-3.8654628333864274
O=C(c1ccccc1)c1cccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccccc2)c1,C06446751_decoy,GCR,Decoy,0,-10.3826,-2.26,-1.65,-4.192891432164466
Clc1cccc(-c2nc(-c3cccc(I)c3)[nH]c2-c2ccccc2)c1,C13532528_decoy,GCR,Decoy,0,-9.69069,-4.4,-2.43,-4.495875011274293
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464271_decoy,GCR,Decoy,0,-10.9125,-10.68,-1.04,-19.422891109783308
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C14464272_decoy,GCR,Decoy,0,-11.234,-10.76,-2.33,-10.144155912425456
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14475388_decoy,GCR,Decoy,0,-11.6215,-4.06,-3.75,-5.24855997381396
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2,C14477132_decoy,GCR,Decoy,0,-11.4513,-10.02,-3.45,-10.101621417441102
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2,C14477133_decoy,GCR,Decoy,0,-11.6145,-9.19,-2.15,-9.86642765663264
CCCCC[C@H]1C=C([C@@H](C#N)Nc2ccc(Br)cc2)c2ccccc21,C16851605_decoy,GCR,Decoy,0,-9.0828,-8.33,-0.51,-8.80846904332591
c1ccc2c(/N=C(\Nc3cccc4ccccc34)c3cccc4ccccc34)cccc2c1,C17302623_decoy,GCR,Decoy,0,-10.5013,-7.17,-3.95,-5.70830149225159
c1ccc([C@H]2N[C@@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@@H]2c2ccco2)cc1,C16478164_decoy,GCR,Decoy,0,-6.54659,-4.22,-2.7,-3.384802654490707
Cc1cccc(-c2nc(Nc3ccc(I)cc3)c3ccccc3n2)c1,C16996279_decoy,GCR,Decoy,0,-9.70509,-4.67,-4.2,-4.185045283110556
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20708349_decoy,GCR,Decoy,0,-11.0476,-5.03,-4.9,-5.344077151945763
CC(C)(C)[C@@H]1C/C(=C\c2ccccc2C(F)(F)F)c2[nH+]c3ccccc3c(C(=O)[O-])c2C1,C12659628_decoy,GCR,Decoy,0,-5.18372,-4.03,-4.41,-2.678761713520567
CC(C)(C)[C@H]1C/C(=C\c2ccccc2C(F)(F)F)c2[nH+]c3ccccc3c(C(=O)[O-])c2C1,C12659630_decoy,GCR,Decoy,0,-5.28136,-4.1,-4.73,-2.632226675871561
Clc1ccc(/C(=N\c2ccccc2)[C@@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1,C17352829_decoy,GCR,Decoy,0,-10.1828,-4.14,-4.01,-4.93912293028856
Clc1ccc(C2CC(Nc3ccc(Br)cc3Br)C2)cc1,C36957053_decoy,GCR,Decoy,0,-10.5188,-7.31,-0.59,-8.295240156162999
Cc1cccc(C2CC(Nc3ccc(Br)cc3Br)C2)c1,C36957056_decoy,GCR,Decoy,0,-10.8346,-1.58,-1.59,-4.07691175913511
Cc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1I,C37056159_decoy,GCR,Decoy,0,-9.21469,-4.13,-2.35,-4.042700035926607
Cc1ccccc1C1CC(Nc2cc(Br)ccc2Br)C1,C37121879_decoy,GCR,Decoy,0,-10.1058,-8.33,-3.24,-11.65623816177141
Brc1ccc(Br)c(NCc2ccc(-c3ccccc3)s2)c1,C37314735_decoy,GCR,Decoy,0,-10.8459,-6.58,-1.75,-5.656359788612713
CSc1cc2c(cc1Cc1ccccc1)C[NH+](Cc1ccccc1)/C2=C\c1ccccc1,C39498898_decoy,GCR,Decoy,0,-9.47045,-2.9,-3.08,-4.040260874610289
Clc1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c1,C04855368_decoy,GCR,Decoy,0,-7.342,-3.13,-3.51,-3.2262700200971084
c1ccc(SSc2ccc(-c3[nH]c(-c4cccs4)nc3-c3ccccc3)cc2)cc1,C39550595_decoy,GCR,Decoy,0,-11.9825,-6.71,-1.41,-18.23910042568224
CC(C)CCC[C@H](C)[C@H]1CC[C@]2(C)[C@]34CC[C@H]5[C@H](C)[C@@H](O)CC[C@@]5(C)[C@@]3(CC[C@@]12C)O4,C43726982_decoy,GCR,Decoy,0,-12.3943,-2.29,-3.02,-4.616544210623272
OC(c1ccccc1)(c1ccccc1)c1ccc(C#Cc2ccc(Br)cc2)cc1,C44552208_decoy,GCR,Decoy,0,-10.6915,-3.96,-2.87,-4.505625213276495
OC1(c2ccccc2)c2ccccc2C(C(c2ccccc2)c2ccccc2)c2ccccc21,C48552951_decoy,GCR,Decoy,0,-4.57124,-3.39,-3.52,-2.5473681643812927
Cc1cccc(CSc2nc3ccc(/N=C/c4c(O)ccc5ccccc45)cc3s2)c1,C59517215_decoy,GCR,Decoy,0,-13.2151,-2.72,-1.03,-5.484640327179386
CC(C)c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1,C59566781_decoy,GCR,Decoy,0,-9.94761,-3.93,-3.89,-4.130331181741208
CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccccc3Cl)c2C(=O)Nc2ccccc2)C1,C59720384_decoy,GCR,Decoy,0,-8.46002,45.97,-4.88,11.165052154024544
Cc1nc(Nc2c(Cl)cc(Cl)cc2Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1,C62039921_decoy,GCR,Decoy,0,-9.72661,-3.55,-3.17,-3.9555550374940975
CCCCCC1CCC(c2cc(Br)c(O)c(Br)c2)CC1,C02022889_decoy,GCR,Decoy,0,-10.9464,-7.8,-0.86,-8.566480602058002
CCCCc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1,C04682499_decoy,GCR,Decoy,0,-10.4774,-4.26,-4.76,-5.994775616111782
CCOc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1,C04185152_decoy,GCR,Decoy,0,-9.25683,-4.46,-5.66,-4.358858073764295
C=C(C)CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@H](C(C)(C)C)C3,C04907132_decoy,GCR,Decoy,0,-11.841,-3.67,-4.69,-4.902458711446425
CCCCN(C[C@@H](O)c1cc2c(c3ccccc13)CCCC2)c1ccc(OC)cc1,C05837943_decoy,GCR,Decoy,0,-10.8674,-9.38,-4.55,-12.410046168809638
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1OCc1ccccc1,C02081159_decoy,GCR,Decoy,0,-9.3497,7.39,-1.69,-0.851908136798584
CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@H](CC)C2,C02081911_decoy,GCR,Decoy,0,-10.2599,-3.88,-4.25,-5.738188225321722
COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Br,C03184465_decoy,GCR,Decoy,0,-10.7287,-2.55,-0.44,-3.782701615812312
Clc1ccccc1Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21,C09196037_decoy,GCR,Decoy,0,-11.0913,-7.01,-3.21,-8.456713961629886
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C,C01427386_decoy,GCR,Decoy,0,-10.4007,17.22,-2.79,2.98389785596565
CC(C)N(C(=O)CSc1ccc(F)c(F)c1)c1ccc(Nc2ccccc2)cc1,C12553138_decoy,GCR,Decoy,0,-9.59632,-9.22,-0.76,-9.01525521845792
O=C(Nc1ccc(Br)cc1)c1sccc1OCc1ccc(Cl)cc1Cl,C03134860_decoy,GCR,Decoy,0,-10.4485,-5.81,-1.23,-8.480189134303398
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2,C14476637_decoy,GCR,Decoy,0,-11.0806,-3.57,-3.59,-5.219610767130294
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2,C14477700_decoy,GCR,Decoy,0,-11.7782,-3.6,-3.76,-4.885734669855854
CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(Br)c1,C14649574_decoy,GCR,Decoy,0,-10.6413,-5.37,-3.89,-5.917145892792524
Cc1ccc(C(=O)C[C@H](Nc2ccc(Br)cc2)c2ccc(C(C)C)cc2)cc1,C03152028_decoy,GCR,Decoy,0,-10.7861,-4.01,-3.02,-5.129927777215911
CC(C)Cc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1,C15188794_decoy,GCR,Decoy,0,-9.52437,-3.46,-4.7,-4.402141208948261
CCC[C@@H]([C@@H](O)c1ccccc1)n1c(-c2ccccc2)cc(-c2ccccc2)cc1=O,C15769566_decoy,GCR,Decoy,0,-9.85448,-3.4,-2.42,-4.74138675605829
N#C[C@@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1,C16451213_decoy,GCR,Decoy,0,-9.86297,-4.95,-4.47,-5.1335816035639406
CCCn1cc(CC[C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)c2ccccc21,C16888363_decoy,GCR,Decoy,0,-10.6078,-9.47,-0.92,-13.77160236367907
CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1,C17082310_decoy,GCR,Decoy,0,-9.86694,-7.39,-3.16,-8.381748747646192
O=C(N/N=C/c1ccc(Br)cc1)C(Cc1ccccc1)Cc1ccccc1,C20510171_decoy,GCR,Decoy,0,-9.40494,-6.21,-2.46,-9.44673027978179
Brc1ccc([C@H]2Nc3c(OCCCc4ccccc4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20681065_decoy,GCR,Decoy,0,-10.1719,-3.47,-1.06,-4.545024446030762
C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C20685177_decoy,GCR,Decoy,0,-10.4261,-4.38,-1.34,-5.015229747261752
C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2,C20703609_decoy,GCR,Decoy,0,-11.1767,-4.59,-1.16,-5.142111640227477
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C20712553_decoy,GCR,Decoy,0,-12.0566,-2.12,-3.51,-4.526497361039306
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2,C20753766_decoy,GCR,Decoy,0,-11.5641,-3.67,-3.25,-5.02445935442746
CC(C)c1ccc(CN(Cc2ccco2)C(=S)NC2CCCCCCC2)cc1,C21261357_decoy,GCR,Decoy,0,-10.1848,-8.64,-5.34,-11.530889899113207
CC(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NC2CCCCCCC2)cc1,C21261399_decoy,GCR,Decoy,0,-9.39148,-8.72,-2.4,-13.360738553940942
c1ccc(CSc2nc(Nc3ccccc3)c3sc4c(c3n2)CCCC4)cc1,C34773185_decoy,GCR,Decoy,0,-7.53454,-3.37,-5.33,-3.55496767187759
FC(F)(F)C[C@@H](Nc1ccc(Br)cc1Br)c1ccccc1,C37278933_decoy,GCR,Decoy,0,-9.208,-7.82,-1.12,-11.284178066824143
FC(F)(F)C[C@H](Nc1ccc(Br)cc1Br)c1ccccc1,C37278935_decoy,GCR,Decoy,0,-8.50597,-8.24,-0.66,-11.357128947256925
Brc1ccc(Br)c(N[C@H](Cc2cccs2)c2cccs2)c1,C37314850_decoy,GCR,Decoy,0,-10.9589,-7.52,-2.67,-9.40535748670198
CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@@H]2/C(=C/C=C3\C[C@H](O)CC[C@@H]3C)CCC[C@]21C,C04544047_decoy,GCR,Decoy,0,-12.2316,-7.56,-1.98,-14.671504617177916
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1sc2ccccc2c1Cl,C12573282_decoy,GCR,Decoy,0,-7.46841,-5.94,-5.63,-4.361165865258533
CC(C)Sc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1,C39735675_decoy,GCR,Decoy,0,-8.22813,-4.39,-4.55,-3.899623545947719
CC(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1,C40948571_decoy,GCR,Decoy,0,-10.6479,-9.08,-5.4,-14.895609005608923
C=C1CC[C@H](O)C/C1=C/C[C@H]1CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12,C44608880_decoy,GCR,Decoy,0,-12.6803,-10.06,-1.66,-10.488019593896636
C=C1CC[C@H](O)C/C1=C/C[C@H]1CCC[C@@]2(C)[C@@H]1CC[C@H]2[C@H](C)/C=C/[C@H](C)C(C)C,C44608882_decoy,GCR,Decoy,0,-12.8389,-5.01,-2.41,-7.3806486262643265
FC(F)(F)c1ccc(/N=C(/Nc2ccc(C(F)(F)F)cc2)S[C@@H]2C=CCCC2)cc1,C59225581_decoy,GCR,Decoy,0,-8.02635,-4.66,-2.39,-4.5424461290141975
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(C(C)(C)C)cc1,C59240040_decoy,GCR,Decoy,0,-7.37401,8.45,-2.0,0.3376104656456484
C=CCc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OCC)c1O,C59302624_decoy,GCR,Decoy,0,-10.7217,-4.5,-2.82,-5.032748209132152
COc1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1,C16293156_decoy,GCR,Decoy,0,-10.1128,-4.25,-1.93,-4.916727413265536
CCCCc1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1,C59382269_decoy,GCR,Decoy,0,-11.4753,-7.11,-0.8,-8.167924735305245
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1,C09445010_decoy1,GCR,Decoy,0,-10.3047,-3.04,,-4.531708896125897
CCCCc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(Br)c1,C64985585_decoy,GCR,Decoy,0,-10.0866,-6.37,-1.57,-6.245905255619983
CCCCc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(Br)c1,C64985810_decoy,GCR,Decoy,0,-10.2996,-9.17,-1.42,-14.916631458658747
CCCCc1ccc(NC(=O)CCc2ccc(C(C)C)cc2)c(Br)c1,C64999997_decoy,GCR,Decoy,0,-10.7391,-4.72,-1.78,-5.380462563305027
CCCCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1,C09445010_decoy2,GCR,Decoy,0,-10.3038,-6.05,,-6.104393832973018
N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc3ccccc3c2)cs1,C09087119_decoy,GCR,Decoy,0,-10.2978,-10.16,-3.8,-9.119627006227793
Nc1ccc(Oc2ccc(Br)cc2Br)cc1,C03161157_decoy,GCR,Decoy,0,-8.01624,-7.47,-0.72,-6.245909551794354
Cc1c(C2=NN[C@](O)(C(F)(F)F)C2)sc2ccc(Cl)cc12,C00171373_decoy,GCR,Decoy,0,-9.29969,-8.81,-1.35,-10.878742897080311
Cc1c(C2=NN[C@@](O)(C(F)(F)F)C2)sc2ccc(Cl)cc12,C00171372_decoy,GCR,Decoy,0,-7.80453,-6.68,-0.85,-5.8456498253763565
O=C1/C(=C\c2cc(Br)c(O)cc2O)Sc2ccccc21,C05604697_decoy,GCR,Decoy,0,-9.92804,-4.89,-0.33,-3.934079933045153
Oc1ccccc1[C@H]1Nc2c(ccc3ccccc23)[C@H]2C=CC[C@H]21,C14473632_decoy,GCR,Decoy,0,-9.38958,-4.68,-0.54,-3.699163591022829
S=C1NC2=C(CSC/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1,C17254555_decoy,GCR,Decoy,0,-10.5017,-9.45,-0.92,-10.360356744553137
N[C@@H](c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1,C19931439_decoy,GCR,Decoy,0,-9.10219,-5.16,-0.55,-5.799075710603257
N[C@H](c1ccc(Cl)s1)c1ccccc1I,C20374954_decoy,GCR,Decoy,0,-9.02124,-5.83,-0.32,-6.822116796537712
Cc1ccc([C@@H](C)Nc2ccc(I)cc2)c(O)c1,C20477130_decoy,GCR,Decoy,0,-8.45103,-3.72,-1.0,-3.752739208502168
CCc1ccc(-c2cn3c(-c4cccc(N)c4)csc3n2)cc1,C33521280_decoy,GCR,Decoy,0,-9.62193,-4.2,-0.78,-4.095767726632397
Nc1ccc(Sc2ccccc2Br)c2cccnc12,C35341095_decoy,GCR,Decoy,0,-8.77228,-7.8,-1.08,-7.087782402930282
Nc1ccc(Oc2ccc(I)cc2)c2ncccc12,C35342297_decoy,GCR,Decoy,0,-7.63213,-6.89,-0.58,-5.793280018730802
Nc1ccc(Sc2ccccc2Br)c2ncccc12,C35342342_decoy,GCR,Decoy,0,-9.0335,-7.84,-1.31,-7.352698924406089
Cc1nc2cc(Oc3cc(Cl)c(Cl)cc3Cl)c(N)cc2s1,C35342858_decoy,GCR,Decoy,0,-10.7091,-8.4,-3.34,-7.258511765258185
O=C1C(Cl)=CC(Cl)=C/C1=C1\C=C(c2ccc(Cl)cc2)NN1,C04335958_decoy,GCR,Decoy,0,-10.1233,-3.95,0.08,-3.813228091775874
[S-]C1=NC2=C([C@H](c3ccc(Cl)cc3Cl)N1)[NH+]1CCC2CC1,C36589804_decoy,GCR,Decoy,0,-9.75033,-3.24,-1.97,-3.321927607696079
NC(=S)c1ccc(Oc2ccc(Br)cc2F)c(F)c1,C36887587_decoy,GCR,Decoy,0,-8.30774,-7.21,-0.64,-5.996309820025425
Nc1nc2cc(Br)ccc2n1-c1ccccc1Br,C36899518_decoy,GCR,Decoy,0,-9.29843,-6.46,-0.32,-6.419784962520012
Cc1ccc(SCc2csc(Br)c2)c(N)c1,C37192778_decoy,GCR,Decoy,0,-8.43391,-5.2,-0.55,-4.175226735894668
Cc1cc(N)ccc1SCc1cc(Br)ccc1F,C37193939_decoy,GCR,Decoy,0,-8.22856,-7.6,-0.89,-7.132104775609688
Nc1cccc(Cl)c1SCc1ccc(F)c(Br)c1,C37195283_decoy,GCR,Decoy,0,-9.78525,-7.55,-4.37,-7.809193477368679
Nc1ccccc1-c1nc2cc(Br)ccc2s1,C37205886_decoy,GCR,Decoy,0,-8.84486,-7.44,-0.86,-8.066365353042343
Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3)c(Br)c1,C37322998_decoy,GCR,Decoy,0,-9.46681,-4.62,-0.86,-4.342942853248236
Nc1onc(-c2ccc(F)c(F)c2)c1-c1cccc(Cl)c1,C37349919_decoy,GCR,Decoy,0,-7.79263,-9.9,-2.26,-8.863918483941356
Nc1onc(-c2c(F)cccc2F)c1-c1ccc(Cl)cc1,C37350279_decoy,GCR,Decoy,0,-8.48679,-3.48,-0.26,-3.370795150879434
Cc1ccc(Br)cc1-n1c(N)nc2cc(Cl)ccc21,C37368789_decoy,GCR,Decoy,0,-8.85403,-7.38,-2.88,-6.45985594917019
Nc1cc(Cl)ccc1Sc1ccc(Br)cc1,C37381428_decoy,GCR,Decoy,0,-7.85435,-6.52,-2.02,-5.404597331040779
O[C@H]1CCC[C@H]1Nc1ccc(Br)cc1C(F)(F)F,C37690245_decoy,GCR,Decoy,0,-7.29639,-7.33,-2.31,-7.739455120821679
Cc1cc(Br)c(N[C@H]2CCCC[C@H]2O)c(Br)c1,C37691389_decoy,GCR,Decoy,0,-9.12945,-6.7,-1.02,-8.56364438371381
Nc1ccc(-c2ccc(Br)s2)c(C(F)(F)F)c1,C41115714_decoy,GCR,Decoy,0,-7.50275,-7.82,0.11,-11.699271232238983
Cc1ccsc1[C@H](N)c1ccc(Br)cc1Cl,C42728749_decoy,GCR,Decoy,0,-9.07818,-6.36,-1.71,-6.503946118339048
Nc1onc(-c2ccc(Br)c(F)c2)c1-c1ccccc1,C43577403_decoy,GCR,Decoy,0,-7.79366,-2.94,-0.62,-3.1982619165414707
Nc1ccc(Oc2ccc(Br)cc2)c(Br)c1,C43597574_decoy,GCR,Decoy,0,-7.02277,-7.65,,99.0
N#Cc1sc(-c2ccc(Br)cc2Cl)cc1N,C44273465_decoy,GCR,Decoy,0,-8.86303,-7.48,-0.76,-6.26786137188849
Cc1ccc(N)c(C)c1OCc1cc(Br)cs1,C50123338_decoy,GCR,Decoy,0,-8.74126,-6.96,-1.83,-6.901149336129548
Nc1nc(C2CC2)c(Cc2ccc(Br)cc2Cl)s1,C50266589_decoy,GCR,Decoy,0,-9.56171,-6.34,-1.77,-6.159203143550824
Cc1cc(Br)ccc1Cc1sc(N)nc1C1CC1,C50266673_decoy,GCR,Decoy,0,-8.83206,-7.32,-2.41,-6.3010513653130005
CC(C)(C)c1nc(-c2ccccc2Br)c(N)s1,C50309281_decoy,GCR,Decoy,0,-7.48057,-6.62,-2.23,-6.484978816929479
Nc1ccc(OCc2sccc2Br)cc1Cl,C50471287_decoy,GCR,Decoy,0,-8.86944,-6.39,-1.39,-6.051412595130675
Nc1ccc(Cl)cc1OCc1cc(Br)cs1,C51609430_decoy,GCR,Decoy,0,-9.31459,-6.04,-3.64,-5.55648600173326
NC(=S)c1cc(Cl)ccc1N1CCC[C@H]2CCCC[C@@H]21,C52858394_decoy,GCR,Decoy,0,-9.83295,-3.95,-2.19,-4.185613424538522
Cc1ccc(Oc2c(N)ccc(F)c2F)c(Br)c1,C53168215_decoy,GCR,Decoy,0,-7.12302,-7.35,-1.05,-5.4400278343995465
Nc1onc(-c2cccc(F)c2F)c1-c1ccc(Cl)cc1,C54209114_decoy,GCR,Decoy,0,-8.39728,-4.33,-0.63,-3.61482460425355
Nc1c(Sc2cccc(Br)c2)ccc2scnc12,C55306706_decoy,GCR,Decoy,0,-9.76848,-5.88,-0.64,-6.390622666245488
C[C@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,C60953882_decoy,GCR,Decoy,0,-7.30514,-7.8,-1.84,-7.54968076979512
Nc1ccc(Cl)c(CSc2nc3ccccc3s2)n1,C61640585_decoy,GCR,Decoy,0,-9.14017,-6.38,-1.37,-6.413458822983566
Nc1cc2ccccc2c(=O)n1-c1cc(Br)ccc1Cl,C61692307_decoy,GCR,Decoy,0,-7.98666,-4.36,-0.76,-3.1908012526166742
CCC/C(N)=N\c1cc(Br)ccc1Br,C62992695_decoy,GCR,Decoy,0,-8.04091,-6.32,-0.36,-8.193690186968174
Cc1cc(Br)ccc1Oc1ccc(N)c2ncccc12,C63061506_decoy,GCR,Decoy,0,-7.51391,-7.68,-1.31,-5.579891343853718
Cc1[nH]c(-c2ccccc2)c2c1C(=S)NN=C(c1ccccc1)C2,C67340124_decoy,GCR,Decoy,0,-10.1686,-3.49,-1.78,-3.807031990826388
C=C(C)CSc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3,C00074270_decoy,GCR,Decoy,0,-10.2392,-3.58,-5.24,-4.077641955759427
Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2,C00411218_decoy,GCR,Decoy,0,-8.56788,-7.01,-3.99,-6.092326363545251
Cc1cc(O)ccc1Nc1nc(-c2ccc(Cl)cc2)cs1,C00613324_decoy,GCR,Decoy,0,-10.3101,-5.27,-1.55,-5.56588669229193
C=C(C)CSc1nc(N)c2c3c(sc2n1)CCC[C@H]3C,C00509655_decoy,GCR,Decoy,0,-9.90736,-8.07,-0.96,-8.07789207476369
Nc1c(Br)c2c3ccccc3ccc2c2ccccc12,C01574370_decoy,GCR,Decoy,0,-8.95309,-4.56,0.11,-2.511933900723488
Nc1cc2c3c(c(Cl)cc4c3c1C(=O)C(Cl)=C4)C(=O)C=C2Cl,C03057008_decoy,GCR,Decoy,0,-10.8763,-5.11,-0.72,-3.231247504888865
Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)c(Cl)c1,C05890361_decoy,GCR,Decoy,0,-9.09114,-2.7,-2.08,-2.90129201937478
Cc1ccc2nc(-c3ccccc3)nc(-c3cccc(N)c3)c2c1,C00482248_decoy,GCR,Decoy,0,-8.74194,-3.54,-0.67,-3.4236286367267894
CC(C)c1ccc2oc(-c3cc(Cl)c(N)c(Cl)c3)nc2c1,C06263338_decoy,GCR,Decoy,0,-8.67177,-2.66,-0.69,-3.397199366479829
Fc1ccc(/C=C2\CCC3=C2[C@H](c2ccc(F)cc2)NC(=S)N3)cc1,C00715691_decoy,GCR,Decoy,0,-10.205,-7.24,-2.05,-8.3214997238769
Nc1nc2c(s1)C1(CCCC1)Oc1c-2ccc2ccccc12,C11730264_decoy,GCR,Decoy,0,-8.52802,-4.56,-1.24,-2.657045284950033
S=C1NC2=C(CCCC2=Cc2ccccc2)[C@@H](c2ccccc2)N1,C12560039_decoy,GCR,Decoy,0,-9.71739,-2.72,-2.11,-3.4094612278904752
Oc1ccc([C@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@H]32)cc1,C13636508_decoy,GCR,Decoy,0,-10.1173,-3.46,-0.86,-3.4854900061446883
Oc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1,C13636662_decoy,GCR,Decoy,0,-9.69998,-8.29,-1.48,-11.18698046485707
CCOc1ccc([C@H]2Nc3c(O)ccc(C)c3[C@H]3C=CC[C@@H]32)cc1,C14480578_decoy,GCR,Decoy,0,-9.54687,-3.62,-3.36,-3.964627442278828
CC(C)(C)c1ccc2c(c1)O[C@@](N)(C(Cl)(Cl)Cl)O2,C19314147_decoy,GCR,Decoy,0,-8.47252,-2.17,-1.38,-3.1101287518777414
N[C@H](c1ccc2c(c1)OCO2)c1c(Cl)c(Cl)cc(Cl)c1Cl,C19985441_decoy,GCR,Decoy,0,-9.88749,-7.91,-0.8,-7.787544959162869
Cc1ccc([C@@H](C)Nc2ccc(Br)c(C)c2)c(O)c1,C20088313_decoy,GCR,Decoy,0,-8.3344,-7.32,-1.11,-7.550857970957343
Nc1cc2ccccc2cc1-c1nc2cc(Cl)ccc2s1,C20550147_decoy,GCR,Decoy,0,-9.17376,-3.95,-0.39,-3.3366507268954138
Cc1nc2cc(Oc3c(C)cc(Cl)cc3C)c(N)cc2s1,C35342783_decoy,GCR,Decoy,0,-9.03063,-1.65,-3.45,-2.967553249030676
CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1ccc2scnc2c1N,C35344880_decoy,GCR,Decoy,0,-9.09346,-7.86,-0.72,-7.7507068254596945
Cc1ccc([C@H](N)c2cc(Br)ccc2Br)s1,C35380276_decoy,GCR,Decoy,0,-9.22976,-7.19,-1.16,-8.98852795983787
Cc1ccc(O)c([C@H](C)Nc2ccc(Br)cc2F)c1,C35628572_decoy,GCR,Decoy,0,-8.06677,-3.77,-0.34,-3.941855713438546
Cc1ccc(O)c([C@@H](C)Nc2ccc(Br)cc2)c1,C35628655_decoy,GCR,Decoy,0,-8.32022,-3.12,-0.67,-3.779448765869789
Cc1sc2nc(Cl)nc(N)c2c1-c1ccc(Cl)cc1,C36277128_decoy,GCR,Decoy,0,-8.58135,-2.88,-0.33,-2.927137040147058
O=C(N[C@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1)N[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1,C05638902_decoy,GCR,Decoy,0,-9.47507,-4.9,-1.56,-5.004496172432768
O=C(Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1Cl,C36750251_decoy,GCR,Decoy,0,-9.0569,-8.02,-1.26,-7.165379137238049
Nc1nc2cccc(Cl)c2n1-c1ccccc1I,C36899397_decoy,GCR,Decoy,0,-7.81869,-3.87,-0.65,-2.8980617045616555
Cc1ccc(-n2c(N)nc3cccc(Cl)c32)c(Br)c1,C36899649_decoy,GCR,Decoy,0,-8.36732,-3.19,-1.55,-2.980014945502111
Cc1ccc(O)c([C@@H](C)Nc2c(Cl)ccc3scnc23)c1,C36923492_decoy,GCR,Decoy,0,-9.22475,-3.18,-0.59,-3.773928176809489
Cc1ccc(SCc2c(N)cccc2Br)cc1C,C36964709_decoy,GCR,Decoy,0,-8.80567,-3.91,-1.7,-4.185311495640774
Nc1ccc(SCc2sc3ccccc3c2Cl)nc1,C37191420_decoy,GCR,Decoy,0,-9.54525,-8.49,-1.59,-7.345917524029712
Cc1ccc(SCc2cc(Br)ccc2F)c(N)c1,C37193286_decoy,GCR,Decoy,0,-7.72233,-7.18,-0.69,-6.574676262368163
Nc1cccc(Cl)c1SCC12CC3CC(CC(C3)C1)C2,C37195405_decoy,GCR,Decoy,0,-9.0,-8.19,-0.3,-8.660734147993866
Nc1cc(COc2ccc(Br)cc2Cl)ccc1Cl,C37402845_decoy,GCR,Decoy,0,-8.47791,-7.54,-0.84,-6.445810878019062
Nc1ccc(CSc2ccc(Br)cc2)c(Br)c1,C37516239_decoy,GCR,Decoy,0,-8.68279,-7.17,-0.61,-5.422163921565988
Cc1ccc(CCc2nc3c(C)c(Cl)c(C)c(N)c3o2)cc1,C41569988_decoy,GCR,Decoy,0,-9.39064,-9.23,-1.25,-7.883827836650721
O=C(NNc1ccc(Br)cc1)c1cc2c(s1)CCCC2,C48733309_decoy,GCR,Decoy,0,-8.89539,29.85,-2.63,7.341954396679345
Cc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2O)s1,C48925663_decoy,GCR,Decoy,0,-8.71168,-3.04,-1.06,-3.6628550795990575
C[C@@H](c1cccc(Br)c1)n1c(N)nc2cccc(Cl)c21,C49569422_decoy,GCR,Decoy,0,-8.74121,-8.2,-1.59,-8.892157592245045
CCn1c(-c2cc(Br)ccc2N)nc2cc(C)ccc21,C50202121_decoy,GCR,Decoy,0,-8.45019,-8.38,-0.07,-6.806252584312051
Nc1ccc(Br)cc1-c1nc2cccc(Cl)c2n1C1CC1,C50202165_decoy,GCR,Decoy,0,-9.54706,-8.24,-0.83,-8.052841279884596
N[C@H](c1cccs1)c1ccc(Br)cc1C(F)(F)F,C54270433_decoy,GCR,Decoy,0,-7.59843,-6.96,0.0,-6.67145589686594
O=C1Nc2cc(Cl)ccc2[C@H]1Nc1ccc(Br)cc1Cl,C42071372_decoy,GCR,Decoy,0,-9.67018,-8.44,-0.26,-7.280180446881072
NC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1,C59018071_decoy,GCR,Decoy,0,-10.9878,-9.15,-2.33,-8.775273122386025
NC(=S)c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl,C61849388_decoy,GCR,Decoy,0,-9.70004,-3.31,-0.24,-3.75333639847677
CCc1oc2ccccc2c1-c1ccc(N)cc1Br,C61876781_decoy,GCR,Decoy,0,-8.18384,-8.74,-1.43,-8.191541363584136
Nc1cc(Cl)c2nc(-c3ccc(Cl)cc3)oc2c1Cl,C62564544_decoy,GCR,Decoy,0,-8.27997,-3.4,-0.11,-2.9050431237106547
Nc1c(Cl)cc(Cl)c2nc(-c3ccc(Cl)cc3)oc12,C62564550_decoy,GCR,Decoy,0,-9.14726,-3.94,-0.76,-3.402469524127321
NC(=S)c1ccc(N2CCC[C@H]2C2CCCC2)c(Cl)c1,C62795987_decoy,GCR,Decoy,0,-10.1725,-6.91,0.22,-8.511939845496197
CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3,C00102937_decoy,GCR,Decoy,0,-10.4515,-7.35,-1.55,-9.915790117952298
Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,C02592595_decoy,GCR,Decoy,0,-7.58648,-2.74,-0.38,-4.598196298295304
C[C@@H]1CC(=O)Nc2c(Br)cc(Br)cc2N1,C00052420_decoy,GCR,Decoy,0,-8.67926,-6.21,-1.46,-4.932885718055601
O[C@@H]1CC2CCC(CCCCC3CCC(CC3)C[C@H]1O)CC2,C04795346_decoy,GCR,Decoy,0,-9.11801,-4.46,-3.4,-2.828168670053135
CC(C)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3,C00508069_decoy,GCR,Decoy,0,-10.6465,-1.78,-2.0,-3.681369606115368
c1ccc2c(c1)N[C@@H](SS[C@@H]1Nc3ccccc3S1)S2,C01701159_decoy,GCR,Decoy,0,-10.2548,-8.48,-2.74,-9.223692711932303
Cc1ccc(-c2cc(N)n(-c3ccc(Cl)cc3Cl)n2)cc1,C01393674_decoy,GCR,Decoy,0,-8.63972,2.07,-1.24,-1.86238516374282
Cc1ccc(-c2nc3c(Cl)c(N)c(Cl)cc3o2)cc1Cl,C00570198_decoy,GCR,Decoy,0,-9.54448,-2.49,-1.77,-3.044710294628812
Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1,C04649262_decoy,GCR,Decoy,0,-9.9018,-8.58,-1.08,-7.811149756616288
Nc1nc(C2(c3ccc(Cl)cc3Cl)CCCCC2)cs1,C11884852_decoy,GCR,Decoy,0,-9.34752,-7.71,-0.78,-7.433534367551979
Oc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1,C13636542_decoy,GCR,Decoy,0,-10.0189,-5.18,-0.49,-4.09655811680312
Oc1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@H]2C=CC[C@H]21,C14473634_decoy,GCR,Decoy,0,-9.48205,-3.76,-1.33,-3.344831671160944
CN(C)c1ccc(/C=C/C2Nc3cccc4cccc(c34)N2)cc1,C17084879_decoy,GCR,Decoy,0,-9.23938,-3.63,-0.93,-4.110275936860521
Cc1cc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CCCC[C@@H]32)c(C)c1,C04638069_decoy,GCR,Decoy,0,-9.68022,-4.9,-0.73,-3.63968090596472
CCc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)s1,C19806061_decoy,GCR,Decoy,0,-8.78341,-3.1,-1.52,-3.3986306362222427
Cc1ccc(Sc2ccc(Br)cc2N)cc1C,C20014671_decoy,GCR,Decoy,0,-7.52364,-6.42,-1.21,-5.36276944152774
Oc1ccc2c(c1)OC[C@@H]2Nc1c(Cl)cc(Cl)cc1Cl,C20505074_decoy,GCR,Decoy,0,-9.53377,-8.45,-0.87,-7.851189072598483
Oc1ccccc1[C@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]12,C20707038_decoy,GCR,Decoy,0,-9.95624,-4.04,-3.5,-3.7963886930027058
Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2c1C,C22408800_decoy,GCR,Decoy,0,-8.38008,-4.7,-1.91,-4.8872443442534985
Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2c1C,C22408806_decoy,GCR,Decoy,0,-8.81872,-4.55,-1.32,-4.141645504146748
Cc1ccc(NNC(=O)c2ccc(Br)cc2)cc1Cl,C30549433_decoy,GCR,Decoy,0,-9.09909,10.55,-0.82,0.5277418380818305
Nc1c(C(=O)c2ccc(Br)cc2)sc2ccccc12,C34468267_decoy,GCR,Decoy,0,-8.99203,-4.16,-0.62,-3.492285939804853
N[C@H](c1cc2c(s1)CCCC2)c1cc(Cl)ccc1Cl,C35382402_decoy,GCR,Decoy,0,-10.0961,-6.72,-3.08,-6.567984953985048
Nc1c(Sc2ccc3ccccc3c2)ccc2scnc12,C35676423_decoy,GCR,Decoy,0,-9.63751,-7.9,-0.75,-7.587617070115843
CC(C)c1nc2scc(-c3ccc4c(c3)CCCC4)n2c1N,C36290246_decoy,GCR,Decoy,0,-9.57394,-4.72,-0.35,-3.8073318998983936
Cc1ccc(-c2nc3sc4c(n3c2N)CC[C@@H](C)C4)c(C)c1,C36290572_decoy,GCR,Decoy,0,-9.13303,-4.12,-0.43,-3.5381957024195536
Nc1onc(C[C@@H]2C[C@H]3CC[C@@H]2C3)c1-c1cccc(Br)c1,C36766007_decoy,GCR,Decoy,0,-8.59975,-4.23,-1.48,-3.579706270243679
Nc1ccc(Oc2cc(Cl)cc(Cl)c2)c2ccncc12,C36813985_decoy,GCR,Decoy,0,-9.08585,-7.71,-0.43,-12.417682759269722
Nc1cc(Br)ccc1N1CCC[C@@H]2CCCC[C@@H]21,C36826457_decoy,GCR,Decoy,0,-8.71959,-6.82,-0.72,-7.000178803862948
Cc1cc(-n2c(N)nc3cccc(Cl)c32)ccc1Br,C36899633_decoy,GCR,Decoy,0,-9.10102,-2.54,-0.73,-3.180464162101384
Nc1ccc(SCc2sc3ccccc3c2Cl)cn1,C37192234_decoy,GCR,Decoy,0,-9.23545,-8.18,-0.83,-7.819508050520965
Nc1onc(-c2ccc(I)cc2)c1-c1ccccc1,C37350008_decoy,GCR,Decoy,0,-8.36072,-2.24,-2.02,-2.791279598487028
Nc1onc(-c2c(Cl)cccc2Cl)c1-c1ccccc1,C37350091_decoy,GCR,Decoy,0,-8.36464,-7.88,-1.04,-6.90617405466709
Nc1c(Oc2cc(Cl)cc(Cl)c2)ccc2ncccc12,C37378721_decoy,GCR,Decoy,0,-8.61542,-8.39,-0.67,-6.63907906705233
Cc1cccc2c1ccn2Cc1c(N)cccc1Br,C37402027_decoy,GCR,Decoy,0,-8.21575,-7.95,-1.18,-7.148090953098172
C[C@H]1C[C@@H](OCc2c(N)cccc2Br)CC(C)(C)C1,C37402292_decoy,GCR,Decoy,0,-8.79512,-8.01,-1.47,-7.981652428034597
Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c2cccnc12,C38001319_decoy,GCR,Decoy,0,-8.89413,-8.41,-2.17,-7.297985015210067
N[C@H](c1ccc(Br)s1)c1c(F)cccc1Cl,C40236099_decoy,GCR,Decoy,0,-10.1877,-6.16,-0.61,-7.153725672084445
Nc1cc2c(Oc3ccc(I)cc3)cncc2s1,C40425019_decoy,GCR,Decoy,0,-7.99314,-5.76,-0.33,-5.4400913775976445
Nc1ccc2nc(SCc3ccc(Cl)s3)sc2c1,C42141750_decoy,GCR,Decoy,0,-9.94776,-6.81,-0.78,-6.328277737898134
Cc1nn([C@@H]2CCCC[C@@H]2C(C)(C)C)c(N)c1Br,C43668116_decoy,GCR,Decoy,0,-8.10698,-7.75,-1.72,-8.035384069720946
Cc1ccc(N)c(C)c1OCc1sccc1Br,C50123381_decoy,GCR,Decoy,0,-8.97559,-7.01,-1.5,-6.766131166183512
Nc1ccc(Oc2ccnc3cc(Cl)ccc23)cc1Cl,C50471454_decoy,GCR,Decoy,0,-8.51761,-8.09,-0.87,-6.517779674335973
NC(=S)c1cc(Cl)ccc1N1CCC[C@@H]2CCCC[C@@H]21,C52858395_decoy,GCR,Decoy,0,-10.1235,-9.23,-4.64,-8.84769360575048
Cc1ccc(-c2nn(C)c(N)c2-c2ccccc2Br)cc1,C55334200_decoy,GCR,Decoy,0,-8.2151,-5.65,-1.56,-7.052796791603333
CC[C@H](C)c1ccc(-c2nc(N)sc2Br)cc1,C57655277_decoy,GCR,Decoy,0,-8.84658,-6.61,-0.01,-8.97819296879044
C[C@H](c1cccc(Cl)c1)N(C)c1ccc2scnc2c1N,C62014066_decoy,GCR,Decoy,0,-9.31531,-3.01,-0.44,-3.4349868579210456
Nc1sc(-c2ccccc2)nc1-c1cc(F)c(F)c(F)c1,C62707184_decoy,GCR,Decoy,0,-8.21796,-9.81,0.2,-7.604797487138721
Cc1ccc2sc(-c3cccc(Br)c3N)nc2c1,C62826665_decoy,GCR,Decoy,0,-8.30528,-4.48,-0.27,-3.0733706920489525
N/C(=N\c1ccc(Br)cc1Cl)C1CCCCC1,C62990013_decoy,GCR,Decoy,0,-8.36405,-2.0,-3.61,-2.8889342291364857
Nc1c(Cl)c(Cl)c2c(c1Cl)Cc1cc(Cl)ccc1-2,C01603928_decoy,GCR,Decoy,0,-9.68559,-7.42,-0.59,-9.675492327827415
c1ccc2c(c1)N[C@H](SS[C@H]1Nc3ccccc3S1)S2,C01701158_decoy,GCR,Decoy,0,-10.7405,-7.04,-2.72,-8.427766704612278
Cc1ccc(Cl)cc1Nc1nc(-c2ccc(O)cc2)cs1,C02860588_decoy,GCR,Decoy,0,-10.5439,-8.91,-0.81,-8.553175063149052
CC(C)[C@@H]1[C@@H](O)[C@@]23CC[C@H]4[C@](C)(CO)CCC[C@]4(C)[C@@H]2C[C@@H]13,C05104522_decoy,GCR,Decoy,0,-9.66805,-3.15,-1.99,-3.686557280796776
Fc1ccc(/C=C2\CCC3=C2[C@@H](c2ccc(F)cc2)NC(=S)N3)cc1,C00715685_decoy,GCR,Decoy,0,-9.59196,-7.34,-2.26,-6.70930590284206
Nc1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1,C05595442_decoy,GCR,Decoy,0,-7.31852,6.07,-2.38,-0.4276260694658453
Oc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1,C13636659_decoy,GCR,Decoy,0,-9.47712,-3.39,-0.61,-3.085144352276472
CC(C)c1ccc(Oc2ccc(Br)cc2N)cc1,C14631023_decoy,GCR,Decoy,0,-7.21867,-1.6,-0.49,-2.617254496926899
CC(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3[C@@]2(C)CCC[C@@]3(C)C(N)=O)C1,C17027257_decoy,GCR,Decoy,0,-9.24128,-3.69,-0.68,-3.734099250535078
Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCCC2,C19776250_decoy,GCR,Decoy,0,-9.34275,-4.33,-2.65,-4.20342442029866
CC(C)c1ccc(C(=O)c2c(N)sc3c2CC[C@H](C)C3)cc1,C19776274_decoy,GCR,Decoy,0,-9.25617,-3.77,-0.93,-3.95346143633949
C[C@H]1C[C@@H](Oc2ccc(Br)cc2N)CC(C)(C)C1,C20506988_decoy,GCR,Decoy,0,-8.48006,-6.86,-0.88,-7.115289695515268
Oc1ccc2ccccc2c1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21,C20751470_decoy,GCR,Decoy,0,-9.72042,-10.98,-0.98,-8.602181861049226
Cc1cc2[nH]c3c(c2cc1C)C[C@H](NC(=O)C1CCCC1)CC3,C22329038_decoy,GCR,Decoy,0,-9.58304,-3.52,-0.48,-3.9302821967676
C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc2c(c1)CCCC2,C23954667_decoy,GCR,Decoy,0,-8.97928,-4.78,-1.77,-4.586067489488412
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)c[nH]1,C32419194_decoy,GCR,Decoy,0,-8.1171,22.22,-0.89,5.724677531609492
COc1c(Br)cc(Cl)cc1[C@H](N)c1ccc(C)s1,C35081500_decoy,GCR,Decoy,0,-10.1322,-6.04,-0.45,-8.52645588867051
Nc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)ccc1F,C36143277_decoy,GCR,Decoy,0,-8.51159,-3.6,-0.92,-3.250001308612478
Cc1cc(Br)ccc1-n1c(N)nc2cccc(Cl)c21,C36899385_decoy,GCR,Decoy,0,-8.80328,-2.75,-0.81,-3.127238567209624
Nc1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccccc1,C36936617_decoy,GCR,Decoy,0,-7.74996,-8.4,-0.49,-6.816278694952422
Nc1cc(Cl)ccc1SCc1cc(Cl)cc2c1OCOC2,C37037173_decoy,GCR,Decoy,0,-10.2339,-8.09,-2.64,-8.330533120393145
Cc1ccc(SCc2c(Cl)cc(C)nc2Cl)c(N)c1,C37192844_decoy,GCR,Decoy,0,-9.60079,-7.25,-0.71,-7.94897801463717
Nc1cccc(Cl)c1SCc1cc(Cl)cc2c1OCOC2,C37195325_decoy,GCR,Decoy,0,-9.43045,-7.93,-1.53,-8.4315471020942
Nc1cc(-c2nc3cc(Br)ccc3s2)ccc1Cl,C37205953_decoy,GCR,Decoy,0,-8.58889,-3.14,-0.66,-3.0807251245758347
Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1Cl,C37291301_decoy,GCR,Decoy,0,-8.65655,-9.24,-1.06,-6.811834402258753
Nc1onc(-c2cccc(Cl)c2)c1-c1ccc(Cl)cc1,C37350247_decoy,GCR,Decoy,0,-8.19952,-9.26,-0.91,-9.203467158147248
Cc1ccc([C@@H](N)c2ccc(Br)cc2Cl)s1,C37365787_decoy,GCR,Decoy,0,-9.40866,-6.38,-0.44,-7.453511653973475
Cc1cccc(OCc2c(N)cccc2Br)c1C,C37402082_decoy,GCR,Decoy,0,-7.95305,-3.91,-1.3,-3.5919956346413544
Nc1cccc(Br)c1CSc1ccc(F)c(F)c1,C37402436_decoy,GCR,Decoy,0,-9.18799,-6.6,-3.26,-6.926576560566127
Nc1cc(COc2ccc(Br)cc2)ccc1Cl,C37402676_decoy,GCR,Decoy,0,-7.19461,-6.39,-0.95,-5.606924818699307
Nc1cc(CSc2ccccc2Br)ccc1Cl,C37402995_decoy,GCR,Decoy,0,-8.01106,-7.45,-1.94,-6.6581679686141895
CC(C)(C)c1csc([C@H](N)c2ccc(Br)cc2F)n1,C41183313_decoy,GCR,Decoy,0,-9.60751,-7.08,-1.11,-8.075785621013036
Nc1cc(C2CCCCC2)nn1-c1cc(Cl)cc(Cl)c1,C41544863_decoy,GCR,Decoy,0,-9.82487,-8.75,-5.09,-6.39709506210442
Nc1ccc2nc(Sc3nc4ccccc4s3)sc2c1,C42143774_decoy,GCR,Decoy,0,-11.1109,-7.29,-0.56,-7.228375387026616
Cc1cccc2sc(-c3cc(N)c(Cl)cc3Cl)nc12,C45946666_decoy,GCR,Decoy,0,-9.25202,-3.69,-0.67,-3.114312749092008
Cc1cc(Br)cc(Cl)c1NC(=O)N[C@H](C)C1CC1,C48096328_decoy,GCR,Decoy,0,-8.63884,-6.98,-1.15,-12.407514659891454
Cc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)ccc2C)s1,C48955138_decoy,GCR,Decoy,0,-8.8463,-8.18,-2.08,-11.074556894148344
Nc1cc(Cl)ccc1Cn1ccc2cc(Br)ccc21,C50443371_decoy,GCR,Decoy,0,-9.76999,-7.46,-2.78,-8.007524747469324
Nc1cc(-c2ccccc2)nc(-c2c(Cl)cccc2Cl)n1,C50866243_decoy,GCR,Decoy,0,-8.92441,-8.48,-5.21,-7.817373516939051
C[C@H]1[C@H](n2c(N)nc3cc(Br)ccc32)CCC[C@@H]1C,C36899244_decoy,GCR,Decoy,0,-8.04721,-7.68,0.44,-7.492127826098528
N[C@@H](c1cccs1)c1ccc(Br)cc1C(F)(F)F,C54270431_decoy,GCR,Decoy,0,-8.22406,-6.59,-2.99,-7.976149290002761
N[C@H](c1ccccc1)c1nc(-c2cccc3ccccc23)cs1,C58432880_decoy,GCR,Decoy,0,-10.1267,-8.91,-1.01,-7.966671654466977
O=C1Nc2c(Br)cccc2[C@H]1Nc1cc(Cl)cc(Cl)c1,C42080015_decoy,GCR,Decoy,0,-9.92448,-8.0,-0.64,-8.412778433380472
Cc1nn([C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(N)c1Br,C43668144_decoy,GCR,Decoy,0,-8.47847,-3.23,-1.3,-3.415774162836424
Cc1cc(C)c([C@H](C)n2nc(C)c(I)c2N)c(C)c1,C43669178_decoy,GCR,Decoy,0,-8.99062,-7.55,-2.29,-8.297027721196505
Nc1ccc(SCc2nc(Cl)ccc2Cl)c(Cl)c1,C61630347_decoy,GCR,Decoy,0,-8.45049,-7.36,-1.29,-6.532656015138668
Cc1ccc(OCc2nc(N)ccc2Cl)c(Br)c1,C61640412_decoy,GCR,Decoy,0,-8.38393,-3.37,-1.93,-3.493068020886
Nc1c(Cl)cc(Cl)c2nc(-c3cccc(Cl)c3)oc12,C62564548_decoy,GCR,Decoy,0,-8.93883,-3.42,-1.98,-3.136295117300661
O=C1Nc2ccc(Br)cc2[C@@H]1Nc1ccc(Cl)c(Cl)c1,C21516711_decoy,GCR,Decoy,0,-9.57491,-8.79,-1.74,-7.477435824820255
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccccc2Cl)N3)C1,C02492884_decoy,GCR,Decoy,0,-10.3592,-3.5,-1.38,-3.7139088275225896
CC(C)(C)c1cc(Br)c(N)c(Br)c1,C04244985_decoy,GCR,Decoy,0,-8.20478,-6.3,-0.1,-8.083608533588329
CCSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3,C00497424_decoy,GCR,Decoy,0,-10.7958,-8.14,-1.34,-12.300164792562372
O=C(N[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1)N[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1,C05638901_decoy,GCR,Decoy,0,-9.42796,-5.14,-1.68,-4.802824366941432
Cc1ccc(-c2cccc(-n3c(C)ccc3-c3cccc(N)c3)c2)o1,C00377045_decoy,GCR,Decoy,0,-8.90661,-3.94,-1.45,-3.850642388491792
Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12,C00066199_decoy,GCR,Decoy,0,-8.61905,-7.15,-3.05,-7.325874731395493
Cc1sc(-c2cccc(N)c2)nc1-c1ccc(C(C)C)cc1,C04245578_decoy,GCR,Decoy,0,-9.96261,-3.57,-0.69,-4.009676300671681
Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCCC2,C13493373_decoy,GCR,Decoy,0,-8.9994,-5.04,-0.22,-3.8803851776719824
Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14474901_decoy,GCR,Decoy,0,-9.81768,-4.88,-0.42,-3.772636481986657
CCOc1ccc([C@@H]2Nc3c(O)ccc(C)c3[C@H]3C=CC[C@@H]32)cc1,C14480579_decoy,GCR,Decoy,0,-9.59592,-1.38,-1.14,-3.2558976863297944
Nc1cc(Cl)ccc1SCc1ccc(Br)cc1,C19815537_decoy,GCR,Decoy,0,-8.54314,-6.56,-0.75,-5.313454209284819
Nc1cc(Br)ccc1Sc1nc2ccccc2s1,C19845493_decoy,GCR,Decoy,0,-9.22379,-6.28,-0.8,-7.063067009304831
CCc1ccc([C@@H](N)c2ccc(Br)cc2F)s1,C19970773_decoy,GCR,Decoy,0,-9.48487,-6.17,-0.5,-7.148548500601224
NC(=S)c1ccc(Oc2ccc(Cl)c3cccnc23)cc1,C21514422_decoy,GCR,Decoy,0,-8.40745,-8.13,-1.32,-6.447516110930271
Oc1ccc(Nc2nc(-c3cccc4ccccc34)cs2)cc1,C27529756_decoy,GCR,Decoy,0,-10.4753,-10.06,-1.01,-9.647516510753896
O/N=C1\CC/C=C\CC/C=C\CC[C@H]1Sc1ccccc1O,C35228492_decoy,GCR,Decoy,0,-8.936,-3.9,-1.43,-3.628396781603186
Cc1ccc(Oc2ccc(N)c3cnccc23)c(Br)c1,C35333184_decoy,GCR,Decoy,0,-8.45709,-5.94,-0.71,-3.795812585867294
Nc1ccc(Oc2cccc(Cl)c2Cl)c2ncccc12,C35342268_decoy,GCR,Decoy,0,-8.27569,-8.48,-0.81,-7.741445572481415
Cc1cc(Oc2ccc3scnc3c2N)cc(C)c1Cl,C35344989_decoy,GCR,Decoy,0,-9.65095,-6.34,-0.64,-10.746571268492705
Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Br,C35779127_decoy,GCR,Decoy,0,-8.80607,-6.73,-1.63,-6.154290932937348
CCc1ccc(-c2c(CC)sc3nc(Cl)nc(N)c23)cc1,C36277139_decoy,GCR,Decoy,0,-9.41166,-1.45,-1.16,-3.385470546330424
[S-]C1=NC2=C([C@@H](c3ccc(Cl)cc3Cl)N1)[NH+]1CCC2CC1,C36589803_decoy,GCR,Decoy,0,-9.50669,-7.68,-1.41,-7.036885576363598
Nc1cnc2ccc(Br)cc2c1Sc1cccs1,C36813354_decoy,GCR,Decoy,0,-8.61305,-6.5,-1.35,-6.758652397024123
Cc1cc(C)cc(-n2c(N)nc3cc(Br)ccc32)c1,C36899494_decoy,GCR,Decoy,0,-8.0842,-8.02,-0.86,-6.065545173350943
Oc1cccc2c1CC[C@@H]2Nc1c(Cl)ccc2scnc12,C36923445_decoy,GCR,Decoy,0,-10.5717,-8.23,-0.47,-12.010400668500846
Nc1cc(Br)ccc1SCc1ccc(Cl)cc1,C37205847_decoy,GCR,Decoy,0,-8.10195,-6.14,-1.03,-5.121229094734834
Nc1onc(-c2c(F)cccc2Cl)c1-c1ccc(Br)cc1,C37350189_decoy,GCR,Decoy,0,-8.93584,-4.61,-4.11,-4.070449183906918
Nc1cc(Br)ccc1Sc1ccc(F)c(F)c1,C37380758_decoy,GCR,Decoy,0,-9.35222,-7.68,-1.03,-6.889433411391583
Nc1cc(Br)ccc1-c1nc2cccc(Cl)c2s1,C37742647_decoy,GCR,Decoy,0,-9.471,-3.63,-0.4,-3.236387638218562
OC1=N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCCC3,C35668772_decoy,GCR,Decoy,0,-10.3852,-4.12,-2.62,-3.691879592753671
N[C@@H](c1ccc(Br)s1)c1cc(Cl)ccc1F,C40236395_decoy,GCR,Decoy,0,-9.88563,-6.44,-0.37,-8.300509588079716
Nc1cc(-c2ccc(Cl)cc2Cl)nn1C1CCCCC1,C40928353_decoy,GCR,Decoy,0,-8.97523,-6.11,-1.62,-6.2196816468830765
C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Br)c(N)c1,C41087094_decoy,GCR,Decoy,0,-8.59517,-6.49,-0.6,-6.903365940639761
Nc1ccccc1-c1nc(-c2ccccc2Br)cs1,C44298326_decoy,GCR,Decoy,0,-9.08364,-2.68,-0.71,-3.224876641570814
Nc1nc(Cl)cc(Sc2cc(Cl)ccc2Cl)n1,C48434162_decoy,GCR,Decoy,0,-9.03587,-7.04,-0.71,-6.320253881144497
S=C1Nc2ccc3ccccc3c2-c2c(ccc3ccccc23)N1,C48660967_decoy,GCR,Decoy,0,-7.30167,-6.46,-2.3,-2.6435326441471627
O[C@H]1CCCCC[C@H]1Nc1ccc(Br)cc1Br,C49163331_decoy,GCR,Decoy,0,-8.95489,-7.35,-0.33,-9.725275160329584
O[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1Br,C49163713_decoy,GCR,Decoy,0,-9.04299,-8.07,-0.05,-7.127700657260917
Nc1ccc(CSc2nc3ccccc3s2)c(Cl)c1,C49963908_decoy,GCR,Decoy,0,-8.83071,-8.2,-1.51,-9.256640779199406
OC1=N[C@H](c2cccc3ccccc23)Nc2scc(-c3ccccc3)c21,C04571814_decoy,GCR,Decoy,0,-10.1031,-4.78,-1.76,-4.449322387788759
Nc1ccc(Br)cc1-c1nc2cc(F)ccc2s1,C50202385_decoy,GCR,Decoy,0,-8.63514,-7.88,-0.52,-5.562118608380085
CCc1nc(N)sc1Cc1ccc(Br)c(C)c1,C50266653_decoy,GCR,Decoy,0,-8.43102,-6.27,-1.74,-5.116093207295643
Nc1nc2cc(Br)ccc2n1CC1CCCCC1,C36899738_decoy,GCR,Decoy,0,-7.91649,-8.47,-0.72,-9.278029040010871
NC(=S)c1c(Cl)cccc1O[C@@H]1CCCc2ccccc21,C52908292_decoy,GCR,Decoy,0,-8.32267,-8.43,-0.69,-7.771651120577309
Nc1ccc(F)c(F)c1Oc1ccc(Br)cc1Cl,C53168222_decoy,GCR,Decoy,0,-7.74134,-7.38,-0.91,-5.657362988934706
Nc1ccc(Sc2cccc(Br)c2)c2cccnc12,C55306696_decoy,GCR,Decoy,0,-8.34198,-7.91,-0.8,-6.111571517508585
Cc1ccc(/N=C/c2ccc(O)cc2O)cc1I,C01234431_decoy,GCR,Decoy,0,-8.70074,-7.72,-0.6,-6.198537079275563
Cc1cc(C)c(C)c(-c2nc(N)sc2Br)c1C,C57655279_decoy,GCR,Decoy,0,-8.78808,-7.4,-1.47,-8.511242417147423
Cc1nn([C@H](C)c2ccc(C(C)C)cc2)c(N)c1Br,C43668535_decoy,GCR,Decoy,0,-7.6821,-7.61,-4.12,-6.0439795368155895
O=C(Nc1c(Cl)cc(O)cc1Cl)c1ccc(Br)cc1,C59487652_decoy,GCR,Decoy,0,-10.2073,-8.25,-1.13,-7.833820139703095
O[C@H]1CCCC[C@H]1Nc1cc(Br)ccc1Cl,C61691171_decoy,GCR,Decoy,0,-8.35174,-7.4,-2.79,-10.084215792266004
Cc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)c1C,C01210209_decoy,GCR,Decoy,0,-9.41988,-5.39,-0.98,-5.022577922739862
CC(/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O)=C\c1ccccc1,C04567264_decoy,GCR,Decoy,0,-9.99666,-4.72,-5.41,-4.5502615926539765
O=C([O-])C/C(=C\c1ccc(Br)s1)c1nc2ccccc2o1,C05798251_decoy,GCR,Decoy,0,-9.16938,-2.81,-2.29,-3.731541768204
O=C([O-])c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCCO3)CCC2,C06338715_decoy,GCR,Decoy,0,-9.76526,-2.91,-4.75,-3.486325459547039
Cc1c(C(=O)[O-])oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3,C06751191_decoy,GCR,Decoy,0,-10.4124,-5.11,-0.85,-4.793719072421168
O=C([O-])[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1,C00944017_decoy,GCR,Decoy,0,-9.79416,-8.37,-2.3,-9.445752549475822
O=C([O-])c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1,C00763004_decoy,GCR,Decoy,0,-9.86691,-4.68,-1.38,-4.162096272351402
O=C([O-])c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1,C09232308_decoy,GCR,Decoy,0,-11.8087,-5.54,-2.06,-6.018113308443651
Cc1c(CC(=O)[O-])c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12,C11691931_decoy,GCR,Decoy,0,-10.3264,-2.64,-0.55,-3.793496250130394
O=C([O-])c1c2c(nc3ccccc13)/C(=C/c1cc(Cl)c3c(c1)OCO3)CC2,C13078098_decoy,GCR,Decoy,0,-10.029,-4.55,-0.53,-4.115587106563611
O=C([O-])c1cccc2c1CCCN2C(=O)/C=C/c1cc(Br)ccc1F,C13390108_decoy,GCR,Decoy,0,-10.1315,-3.76,-3.1,-4.175692833438521
O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(C2SCCS2)cc1,C13390265_decoy,GCR,Decoy,0,-11.3997,-4.78,-0.89,-5.083082176342324
O=C([O-])c1oc2ccccc2c1CSc1ncnc2sc3c(c12)CCCC3,C13416207_decoy,GCR,Decoy,0,-7.4729,-6.39,-4.56,-4.748337363253843
O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(I)cc1,C13448504_decoy,GCR,Decoy,0,-8.51756,-3.46,-1.1,-3.492303194426823
O=C([O-])c1ccc2c(c1)CCN2C(=O)CSc1cc(Cl)ccc1Cl,C13448696_decoy,GCR,Decoy,0,-9.47529,-9.74,-0.93,-13.113055689825485
Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)o1,C05441844_decoy,GCR,Decoy,0,-9.29055,-4.69,-2.13,-3.882537072213122
Cc1ccc(-c2c(C)[n+]([O-])c(-c3c4ccccc4cc4ccccc34)n2[O-])cc1,C05617863_decoy,GCR,Decoy,0,-9.91422,-1.4,-1.98,-4.794224799164648
[S-]c1nnc(-c2ccccc2Br)n1/N=C/C=C/c1ccccc1,C06884799_decoy,GCR,Decoy,0,-9.84595,-3.22,-3.88,-3.860175175124485
O=C1[C@@H]2C3c4ccccc4C(C(=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1,C01221179_decoy,GCR,Decoy,0,-9.42321,-1.82,-3.59,-3.0602197296496194
Cc1ccccc1-n1c([S-])nnc1COc1ccc(Br)cc1,C06268522_decoy,GCR,Decoy,0,-9.12074,-7.5,-3.74,-7.817420138028957
Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(Cl)cc1,C06606293_decoy,GCR,Decoy,0,-10.7173,-2.86,-0.5,-5.559951887458007
[S-]c1nnc(-c2cccs2)n1/N=C/c1cccc(Br)c1,C28379773_decoy,GCR,Decoy,0,-10.9041,-6.82,-2.92,-7.514826655872424
O=C([O-])c1cc(Cl)cc(S(=O)(=O)Cc2ccc(Br)s2)c1Cl,C35660132_decoy,GCR,Decoy,0,-10.8713,-7.01,-4.47,-7.85702669749571
O=C([O-])c1nc(-c2cccs2)oc1-c1cc(F)cc(Br)c1,C37025944_decoy,GCR,Decoy,0,-9.05624,-3.58,-1.93,-3.817295836513984
O=C(c1ccc(I)cc1)c1ccc2nc([O-])oc2c1,C37363444_decoy,GCR,Decoy,0,-6.81323,-8.56,-3.92,-4.30954334548745
COc1ccc(-n2c([S-])nnc2-c2ccc(Br)cc2)cc1,C05895313_decoy,GCR,Decoy,0,-9.375,-3.38,-0.86,-4.13545796738478
CC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1,C03634697_decoy,GCR,Decoy,0,-10.1315,0.43,-1.86,-3.4958492704861626
CCO/C([O-])=C(\C=N\C1CC1)C(=O)c1sc2cc(Cl)ccc2c1Cl,C39295202_decoy,GCR,Decoy,0,-10.9686,-7.36,-2.15,-8.820934693182771
CCc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C(=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1,C39328532_decoy,GCR,Decoy,0,-9.71934,-4.37,-1.51,-4.2906688736363225
O=C([O-])c1cccc(-c2noc(-c3cccc(I)c3)n2)c1,C41722172_decoy,GCR,Decoy,0,-10.2923,-4.5,-0.15,-4.542947720938695
CC(C)(C)c1cc(/C(=C\C(=O)[O-])C(F)(F)F)c2oc(=O)cc(C(F)(F)F)c2c1,C43464016_decoy,GCR,Decoy,0,-7.56327,5.31,-2.01,-1.0258955638739249
N#C/C(C(=O)N1CCCCC1)=C(/[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C48982494_decoy,GCR,Decoy,0,-7.70672,-7.84,-1.21,-9.485977353998924
N#C/C(C(=O)N1CCCCC1)=C(/[O-])c1cc2cc(Br)ccc2o1,C48984477_decoy,GCR,Decoy,0,-8.58961,-7.4,-3.29,-6.104272194273087
N#C/C(C(=O)N1CCOCC1)=C(/[O-])c1cc2sc3ccccc3c2s1,C49097439_decoy,GCR,Decoy,0,-9.67188,-3.92,-3.92,-4.080748176207859
[S-]c1nnc(-c2ccccn2)n1-c1cc(Br)ccc1Br,C49121362_decoy,GCR,Decoy,0,-9.37617,-7.03,-0.52,-8.945854305040136
[O-]/C(=N\c1nnc(SCc2cccs2)s1)c1cc(Cl)ccc1F,C52166066_decoy,GCR,Decoy,0,-10.5269,-4.19,-9.7,-4.591662448891153
CCCn1c(/N=C(\[O-])c2ccccc2I)nc2ccccc21,C03353895_decoy,GCR,Decoy,0,-8.39404,-3.58,-3.52,-3.795870950799314
Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccco4)c4sc([S-])nc4S[C@@H]3C2=O)cc1,C40475351_decoy,GCR,Decoy,0,-11.5948,-2.08,-4.46,-3.774484618136054
CC(=C/c1ccccc1)/C=C(/C#N)c1nc([O-])c2c3c(sc2n1)CCCC3,C57547253_decoy,GCR,Decoy,0,-10.5096,-3.92,-1.96,-4.159771759255738
Cc1cccc(/C=C(\C#N)c2nc([O-])c3cc(Br)ccc3n2)c1,C25582408_decoy,GCR,Decoy,0,-9.52006,-4.71,-1.91,-3.76267216346888
COc1ccc(C(=O)n2c([O-])c3cc(Br)ccc3nc2=S)cc1Cl,C20258686_decoy,GCR,Decoy,0,-8.9225,-9.1,-2.04,-8.051150343205421
O=S(=O)(/N=C(\[O-])C1(c2ccc(Cl)cc2)CC1)c1ccc(Cl)s1,C60496768_decoy,GCR,Decoy,0,-9.53687,-3.63,-1.15,-3.825750516599614
[S-]c1nnc(-c2cccnc2)n1-c1cc(Br)ccc1Cl,C61692108_decoy,GCR,Decoy,0,-8.90632,-6.81,-2.49,-7.43776647068863
Cc1cc([O-])c(C(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)c(=O)o1,C13002701_decoy,GCR,Decoy,0,-10.1475,-3.95,-1.11,-4.328347141344283
C=CCSC1=NC(=O)[C@@H]2C(=N1)N=C1CC(C)(C)CC([O-])=C1[C@H]2c1ccc(C)s1,C39765335_decoy,GCR,Decoy,0,-6.4178,-4.21,-2.81,-2.884334217190705
CC[C@@]1(C)Cc2nc3nc([S-])n(-c4ccc(C)cc4)c(=O)c3cc2CO1,C06785044_decoy,GCR,Decoy,0,-9.85533,-3.11,-0.27,-3.8245522290024296
CC1=C(C)[C@H]([C@@H]2CC(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)=C(C)S2)N=N1,C65137812_decoy,GCR,Decoy,0,-9.11366,-9.32,-2.32,-8.783112648486627
Cc1ccc2c(c1)c1c3n2CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])[C@H]3CCC1,C66143285_decoy,GCR,Decoy,0,-9.90387,-3.17,-2.35,-3.9989216212908985
O=C1N=C([N-]c2ccc(Br)cc2)S/C1=C\C=C\c1ccco1,C13811133_decoy,GCR,Decoy,0,-10.1192,-4.03,-3.27,-4.0670091535278985
N#C/C(=C/C(Cl)=C\c1ccccc1)c1nc([O-])c2ccc(Cl)cc2n1,C67647895_decoy,GCR,Decoy,0,-10.0055,-9.58,-3.42,-8.2223163347571
Cc1cc(I)ccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O,C00956211_decoy,GCR,Decoy,0,-9.61957,-6.39,-0.82,-6.089393342907984
O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1cc(Br)ccc1Br,C09069884_decoy,GCR,Decoy,0,-8.5876,-4.98,-3.36,-4.399730746591644
O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C09088463_decoy,GCR,Decoy,0,-11.0539,-4.44,-1.13,-4.840838772527045
CC(=O)[C@H]1[C@H](C(=O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12,C09109955_decoy,GCR,Decoy,0,-10.4292,-4.13,-2.27,-4.3118543899382775
Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)ccc1I,C09259092_decoy,GCR,Decoy,0,-11.4981,-4.3,-3.73,-5.047590207435146
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2,C02297479_decoy,GCR,Decoy,0,-13.1202,-4.05,-5.2,-5.390678083652076
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C12658361_decoy,GCR,Decoy,0,-6.75092,-2.89,-0.96,-2.6073954204379937
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1,C12658368_decoy,GCR,Decoy,0,-6.63052,-4.05,-2.09,-2.744578363143673
COc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc(Br)c1O,C05929481_decoy,GCR,Decoy,0,-9.21204,-5.65,-5.25,-4.73101777011243
Brc1ccc(NCc2nn3cc(-c4ccc(Br)cc4)c4c3n2CCCC4)cc1,C03230911_decoy,GCR,Decoy,0,-11.6404,-10.26,-4.05,-9.162430480846858
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)N5CCC(C)CC5)cc4[C@H]4C=CC[C@@H]43)ccc21,C13643142_decoy,GCR,Decoy,0,-13.1324,-5.19,-2.08,-6.149625812079802
Cc1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c(=O)c1Nc1ccc(Br)cc1,C15226636_decoy,GCR,Decoy,0,-8.90366,19.04,-4.61,4.600301989308748
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cc2cc(Br)cc(Br)c2o1,C15231341_decoy,GCR,Decoy,0,-10.158,-9.1,-0.85,-7.072629112281945
O=C(/C=C/c1cccc2cccnc12)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O,C15634840_decoy,GCR,Decoy,0,-6.54044,-3.55,-2.89,-3.1736211585153544
Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2,C15868236_decoy,GCR,Decoy,0,-10.5215,-2.47,-0.77,-3.8193560958767296
Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1,C16000377_decoy,GCR,Decoy,0,-4.83165,-4.12,-3.44,-2.831598445922495
Cc1ccc(-n2nc(C)c3c2NC2=C(C(=O)C[C@H](c4cccs4)C2)[C@@H]3c2ccc(Cl)cc2)cc1,C18196219_decoy,GCR,Decoy,0,-7.35627,-2.54,-3.38,-2.6863520905389646
Oc1ccc(Br)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21,C19893465_decoy,GCR,Decoy,0,-7.10784,-3.81,-1.88,-3.085055990478173
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2,C20180561_decoy,GCR,Decoy,0,-11.802,-3.76,-2.84,-4.7579858964589485
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(S(=O)(=O)N5CCC(C)CC5)cc4[C@@H]4C=CC[C@H]43)ccc21,C20684526_decoy,GCR,Decoy,0,-8.64807,2.02,-4.24,-1.8797846508184373
O=C1c2ccccc2[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1Cc1cccs1,C23226932_decoy,GCR,Decoy,0,-9.50342,-4.0,-1.26,-4.142370144199907
Cc1noc2c1[C@H](c1cc(Br)ccc1F)C1=C(C[C@@H](c3ccc(Cl)cc3)CC1=O)N2,C28052115_decoy,GCR,Decoy,0,-10.9453,-6.42,-3.0,-4.8102543078970745
C[C@H]1CCC[NH+](Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)c(C(F)(F)F)oc23)C1,C28121324_decoy,GCR,Decoy,0,-11.2929,-3.17,-2.75,-4.301935013327204
CSc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2)CCCC4)cc1,C33040497_decoy,GCR,Decoy,0,-6.78299,-3.13,-3.37,-2.6208609875794826
CN1/C(=C/C(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)C(C)(C)c2ccccc21,C02689883_decoy,GCR,Decoy,0,-10.787,-3.48,-2.41,-4.683996736807977
O=C(Nc1ccccc1F)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1ccc(Cl)cc1Cl,C35192059_decoy,GCR,Decoy,0,-11.3315,-3.7,-3.43,-3.48303030949116
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@]1(C)Cn2c(cc3sccc32)C(=O)N1Cc1ccc(Cl)cc1,C35312475_decoy,GCR,Decoy,0,-7.09728,-3.97,-3.47,-3.277817530694409
CC(C)c1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1,C35312551_decoy,GCR,Decoy,0,-8.03487,-5.4,-7.56,-4.352429081641774
C[C@@H](Nc1c(Br)cc(Br)cc1Br)c1ccc([N+](=O)[O-])cc1,C37177208_decoy,GCR,Decoy,0,-10.2134,-8.6,-4.0,-8.415165885307955
CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4cc5cc(Br)ccc5oc4=O)[nH]c(=O)c23)C1,C08588362_decoy,GCR,Decoy,0,-12.4659,-2.78,-2.41,-4.0674897048369845
FC(F)Oc1ccc(Br)cc1[C@@H]1C[C@@H](c2ccc(Br)cc2)N=C2N=CNN21,C02919562_decoy,GCR,Decoy,0,-10.3377,-8.07,-5.19,-10.68790307297339
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2=O,C04421021_decoy,GCR,Decoy,0,-11.6836,-3.98,-0.68,-5.144961697603906
C[C@@H]1CCCN(C(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CC[C@H](C(C)(C)C)C3)C1,C39431475_decoy,GCR,Decoy,0,-6.57176,-2.64,-4.61,-2.727642593033232
C[C@@H]1CCCCN1C(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[C@@H](C(C)(C)C)C2,C39431477_decoy,GCR,Decoy,0,-7.77282,-3.09,-4.53,-3.1776718690659207
Cc1c(-c2ccccc2O)c2c(n1Br)-c1nc3ccccc3c(Br)c1C(=O)CC2,C39457314_decoy,GCR,Decoy,0,-10.8839,-4.53,-1.14,-3.883906274803493
CSc1cc(-c2ccccc2O)cc2c1N(C)c1ncnc(Cl)c1/N=C(\Br)C2,C39479403_decoy,GCR,Decoy,0,-10.5812,-3.71,-2.17,-4.153918929927305
Cc1ccc2nc(-c3ccc(NC(=O)Cc4coc5ccc(Br)cc45)cc3)sc2c1,C39883293_decoy,GCR,Decoy,0,-12.3273,-4.56,-3.73,-5.316342318731401
Cc1cc(C)c(-c2ccnc(N3CCC[C@@H](C(=O)Nc4ccc(Br)c(C)c4)C3)n2)c(C)c1,C40871482_decoy,GCR,Decoy,0,-7.55049,-4.39,-2.8,-3.6716045442835297
O=C(Nc1ccc(OC(F)F)c2ncccc12)c1sc2cc(Cl)cc(Cl)c2c1Cl,C40989909_decoy,GCR,Decoy,0,-11.4969,-3.24,-1.28,-4.580023578739353
C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)cc1Br,C41650369_decoy,GCR,Decoy,0,-9.36971,-6.5,-1.65,-8.163715613638384
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[NH+]2[C@H]3C(=O)c2ccc(Br)cc2)cc1,C43710792_decoy,GCR,Decoy,0,-6.27321,-3.24,-4.19,-2.5218132579190824
O=C(Cn1c2c(sc1=O)[C@@H](c1cccs1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2)Nc1cccc2ccccc12,C47139750_decoy,GCR,Decoy,0,-7.31528,-7.01,-3.42,-4.627654851317
CC1(C)c2sc(=O)[nH]c2S[C@H]2[C@@H]3C[C@@H]([C@H]4C(=O)N(c5ccc(Br)cc5)C(=O)[C@H]34)[C@H]21,C47145161_decoy,GCR,Decoy,0,-10.6752,-4.04,-0.57,-3.811029371176073
COc1ccc(/C=N/N=C2\NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1Br,C03082163_decoy,GCR,Decoy,0,-10.7653,-2.12,-1.57,-3.8039929448949112
O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2O)n1Cc1ccccc1,C51330918_decoy,GCR,Decoy,0,-9.34601,0.1,-5.06,-3.3690928013466364
O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCN(c2ccccc2F)CC1,C01101133_decoy,GCR,Decoy,0,-13.0881,-3.96,-1.47,-5.451291130283962
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2,C20711541_decoy,GCR,Decoy,0,-11.346,-4.09,-4.24,-4.82545544323905
C/C(=N\c1ccc(Br)cc1)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O,C08694720_decoy,GCR,Decoy,0,-10.5913,-2.92,-0.73,-4.097753706301124
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1,C59335989_decoy,GCR,Decoy,0,-11.5631,-4.61,-3.04,-4.945527592485543
C[C@@H]1CCC[C@H](C)N1C(=O)C1=C(Cl)C2=N[C@H](c3ccc(Cl)cc3)C[C@H](C(F)(F)F)N2N1,C12850200_decoy,GCR,Decoy,0,-9.62882,-3.14,-2.29,-3.835318884715704
CCC(CC)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3,C03283678_decoy,GCR,Decoy,0,-11.8255,-7.87,-2.78,-10.305060324217266
C[C@H]1[C@@H](NC(=O)CCc2cn(Cc3ccccc3Cl)c3ccccc23)CCC[C@@H]1C,C06858066_decoy,GCR,Decoy,0,-10.2301,-8.74,-3.66,-10.672488551481782
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CCc1cn(Cc2ccccc2Cl)c2ccccc12,C06858070_decoy,GCR,Decoy,0,-10.5325,-10.0,-4.59,-9.184483559741487
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12,C06858227_decoy,GCR,Decoy,0,-10.2578,-11.09,-2.95,-11.193955755605227
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12,C06858231_decoy,GCR,Decoy,0,-10.9221,-10.36,-4.25,-9.85998076149126
CCCCCCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1Br,C08565650_decoy,GCR,Decoy,0,-9.47938,-2.45,-1.48,-4.385875564511604
Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1,C08861178_decoy,GCR,Decoy,0,-9.97162,-2.63,-2.54,-3.887053608010463
Cc1ccc(SCCCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1,C09473840_decoy,GCR,Decoy,0,-11.3499,-3.96,-1.84,-5.324899791900934
Cc1ccc(CN2CCSc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc32)cc1,C09962456_decoy,GCR,Decoy,0,-10.4767,-7.05,-3.13,-7.287501447254671
O=C(CCCSCc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1,C10616797_decoy,GCR,Decoy,0,-10.7715,-3.88,-2.56,-4.908810858493376
O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl,C13305803_decoy,GCR,Decoy,0,-10.2177,-8.31,-1.77,-10.041390295547814
CCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br,C14041162_decoy,GCR,Decoy,0,-10.4597,-7.64,-3.91,-8.981121096098963
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464576_decoy,GCR,Decoy,0,-10.1218,-3.86,-4.03,-4.634408757455614
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C14464581_decoy,GCR,Decoy,0,-11.1466,-3.77,-2.71,-4.740643253171343
Clc1ccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1,C14465390_decoy,GCR,Decoy,0,-10.2087,-4.33,-3.46,-4.724484111336103
CC(C)CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1Br,C14645459_decoy,GCR,Decoy,0,-10.3636,-6.87,-1.57,-13.294454474680984
CCCCCCOc1ccc(Br)cc1C(=O)Nc1c(C)cccc1C,C14648123_decoy,GCR,Decoy,0,-9.30315,-6.57,-2.82,-8.76491747124662
CC[C@H](C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(Br)c1,C14831981_decoy,GCR,Decoy,0,-10.3688,-7.76,-2.13,-7.838727795788823
O=C(/C=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)c1ccccc1O,C16158798_decoy,GCR,Decoy,0,-8.80127,-10.71,-3.76,-11.68516997072848
O=C(NCCc1cn(Cc2ccccc2)c2ccccc12)C1(c2ccccc2)CCCC1,C16887469_decoy,GCR,Decoy,0,-10.2874,-10.46,-3.37,-14.533542629220994
C[C@H](Cc1cn(Cc2ccccc2)c2ccccc12)NC(=O)C1(c2ccccc2)CCCC1,C16887970_decoy,GCR,Decoy,0,-10.2353,-10.29,-1.94,-15.385804371527762
C=C(C)Cn1cc(CC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)c2ccccc21,C16888373_decoy,GCR,Decoy,0,-10.9868,-9.31,-0.93,-16.203598123323413
CCCCn1cc(C[C@H](C)NC(=O)C2CCCC2)c2cc(Br)ccc21,C16888899_decoy,GCR,Decoy,0,-10.2994,-7.58,-0.98,-9.31907233334453
Cc1cc(C)c(CSCCNC2=CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1,C04338105_decoy,GCR,Decoy,0,-10.4104,-3.5,-2.56,-5.077314680659047
Clc1ccc([C@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1,C20699783_decoy,GCR,Decoy,0,-9.95917,24.54,-3.79,5.633103838497442
CCCCOc1ccccc1/C=C/C(=O)Nc1ccc(I)cc1C,C01984431_decoy,GCR,Decoy,0,-9.66694,-4.0,-0.99,-6.753047453166657
Cc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3ccc(F)cc3)c3ccccc32)cc1,C33742438_decoy,GCR,Decoy,0,-9.61593,-4.05,-2.32,-5.128544864980805
CC(C)CNC(=O)C[C@H](c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12,C33788845_decoy,GCR,Decoy,0,-9.17585,-4.25,-4.06,-4.885941509417024
C=C(C)[C@@H]1CC=C(CN(CC(C)C)C(=O)Nc2ccc(Br)cc2)CC1,C34951156_decoy,GCR,Decoy,0,-10.0611,-4.04,-2.18,-5.208389327853329
Cc1ccc(C)c(CSCCc2c(C)nc(Cc3cc(C)ccc3C)[nH]c2=O)c1,C35288303_decoy,GCR,Decoy,0,-10.7285,-7.18,-3.37,-6.929695534201191
CC1CCC(NC(=O)CCc2cn(Cc3ccccc3Cl)c3ccccc23)CC1,C06858062_decoy,GCR,Decoy,0,-10.6,-4.79,-3.64,-5.477654403138349
Cc1ccc(SCCCC(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1,C36717381_decoy,GCR,Decoy,0,-10.5373,-4.58,-4.02,-4.993529271072043
O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)Nc1ncc(Cc2ccccc2F)s1,C39846940_decoy,GCR,Decoy,0,-11.344,-6.39,-1.54,-6.495197645898278
CCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2Cl)c(Br)c1,C40942972_decoy,GCR,Decoy,0,-9.83328,-7.59,-0.69,-9.073217125611611
CC(C)[C@H](C)NC(=O)C[C@@H](c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12,C35805716_decoy,GCR,Decoy,0,-9.17957,-2.86,-3.47,-4.950543903037298
CC(C)[C@H](C)NC(=O)C[C@H](c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12,C35805719_decoy,GCR,Decoy,0,-9.18579,-4.4,-1.29,-5.052493664724695
CC(C)[C@H](C)NC(=O)C[C@H](c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12,C35806013_decoy,GCR,Decoy,0,-10.3081,-3.83,-3.01,-5.1095045707619065
CCSc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br,C44900089_decoy,GCR,Decoy,0,-10.0091,-8.93,-1.05,-9.026657251869803
CCCCN(CC1=CC[C@@H]2C[C@H]1C2(C)C)C(=O)Nc1ccc(Br)cc1,C04763175_decoy,GCR,Decoy,0,-9.62433,-8.97,-1.85,-14.684089534761052
O=C(N/N=C/c1ccccc1Br)c1ccc(CSCc2ccccc2)cc1,C58916015_decoy,GCR,Decoy,0,-11.2718,-7.83,-1.3,-7.045086696482434
Cc1ccc(NC(=S)N(Cc2ccc(C(C)C)cc2)C[C@H]2CCCO2)cc1Cl,C06480462_decoy,GCR,Decoy,0,-11.0891,-7.27,-2.32,-8.320477235457309
Cc1cc(NC(=S)N(Cc2ccc(C(C)C)cc2)C[C@H]2CCCO2)ccc1Cl,C06477409_decoy,GCR,Decoy,0,-10.3893,-8.53,-2.27,-9.816144400582806
COc1ccc(Cl)c(NC(=S)N(C[C@H]2CC=CCC2)[C@H](C)c2ccccc2)c1,C06299078_decoy,GCR,Decoy,0,-9.63139,-8.76,-2.28,-9.869384807861168
CCc1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1,C59187766_decoy,GCR,Decoy,0,-10.8631,-5.11,-1.65,-5.696988985193798
COc1ccc(Cl)cc1NC(=S)N(C[C@H]1CC=CCC1)[C@H](C)c1ccccc1,C59187971_decoy,GCR,Decoy,0,-10.5012,-8.62,-4.33,-12.096059321883391
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1,C59473737_decoy,GCR,Decoy,0,-10.5555,-8.02,-11.29,-6.49488709945395
CCc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c(Br)c1,C65001057_decoy,GCR,Decoy,0,-9.72854,-5.27,-0.89,-6.739400792871139
CSc1cccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCCCC2)c1,C20212653_decoy,GCR,Decoy,0,-11.0898,-8.89,-2.8,-9.791953222121144
Cn1cc(CN(C(=S)Nc2ccc(F)c(Cl)c2)C2CCCCC2)c2ccccc21,C20212657_decoy,GCR,Decoy,0,-10.3168,-3.97,-1.94,-4.814658360591052
CCn1cc(CN(C(=S)Nc2ccc(C)cc2)C2CCCCCC2)c2ccccc21,C04913597_decoy,GCR,Decoy,0,-9.19139,-8.01,-2.55,-8.756290313042015
Cc1ccc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc12,C01223571_decoy,GCR,Decoy,0,-10.6304,-5.85,-3.18,-4.262225026574144
Nc1c(C(=O)c2cccs2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3,C02924981_decoy,GCR,Decoy,0,-9.26632,-3.12,-2.66,-3.788991700757645
Cc1ccc(C(/N=c2\sc(C#N)c(N)n2-c2ccccc2)=N\c2ccccc2)cc1,C04747666_decoy,GCR,Decoy,0,-4.11677,-4.58,-3.3,-2.859641926611181
O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1O,C04827617_decoy,GCR,Decoy,0,-11.3391,-8.2,-0.81,-7.182474978248539
CCOC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl,C01574384_decoy,GCR,Decoy,0,-12.3907,-9.64,-0.42,-26.08947858257504
Nc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl,C05656331_decoy,GCR,Decoy,0,-8.97791,-5.31,-4.46,-4.91744929668627
CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1,C08451237_decoy,GCR,Decoy,0,-10.4189,-3.08,-2.06,-3.971925158056673
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3cc4ccc(Br)cc4cc32)cc1,C08781876_decoy,GCR,Decoy,0,-6.02725,-4.4,-3.0,-3.0663717452098016
Nn1c(-c2ccccc2)nc2c(sc3nc(-c4ccccc4)c4c(c32)CCCC4)c1=O,C08817727_decoy,GCR,Decoy,0,-10.5721,-3.13,-3.07,-3.670787608461288
Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(C3CC3)cc(-c3cccs3)c12,C09404273_decoy,GCR,Decoy,0,-11.6298,-3.82,-2.77,-4.9590954797919045
CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(Br)cc4)nc(N)c23)CO1,C02222666_decoy,GCR,Decoy,0,-10.7649,-2.74,-5.65,-4.378276074145716
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)Nc1ccccc1S2,C12564084_decoy,GCR,Decoy,0,-11.2739,-3.95,-4.53,-4.5362924150776
CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)cc1,C01079751_decoy,GCR,Decoy,0,-6.59659,-4.37,-1.99,-3.4703079235893064
C/C(=N\Nc1nc(-c2ccc(Br)cc2)nc2c1CCCC2)c1ccccc1O,C13563133_decoy,GCR,Decoy,0,-10.4421,-5.54,-3.58,-5.044228542079458
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@@H]32)s1,C14456599_decoy,GCR,Decoy,0,-10.2986,-4.62,-4.24,-4.66641627464921
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1,C14458422_decoy,GCR,Decoy,0,-10.8864,-3.82,-1.35,-4.830502013458647
COc1ccc2cc(C(=O)N/N=C/c3cc(Br)c4ccccc4c3O)ccc2c1,C15229466_decoy,GCR,Decoy,0,-11.1315,-3.94,-2.18,-4.847589580211266
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F,C15724635_decoy,GCR,Decoy,0,-7.14268,-2.97,-3.23,-2.905761555446775
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4s3)c(O)c2)c1O,C16194959_decoy,GCR,Decoy,0,-12.2588,-3.87,-1.02,-4.847153101389687
Cc1cc(Br)cc(Br)c1NC(=O)Nc1ccc(Cl)cc1Cl,C16269477_decoy,GCR,Decoy,0,-11.1057,-3.09,-0.71,-4.700266433732887
O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)Nc1ccccc1F,C16492000_decoy,GCR,Decoy,0,-10.7974,3.86,-3.03,-3.127442868399576
O=C(N/N=C/c1ccc(N2CCC3(CCCCC3)CC2)cc1Cl)c1ccccc1O,C01727500_decoy,GCR,Decoy,0,-12.092,-4.2,-1.79,-5.488041243231391
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)C1,C17092952_decoy,GCR,Decoy,0,-11.3413,-2.77,-1.48,-4.929199910996262
Nc1c2c(nc3c1c(-c1ccccc1)c(-c1ccccc1)n3Cc1ccccc1)CCCC2,C18143568_decoy,GCR,Decoy,0,-6.27715,-4.48,-4.42,-2.9973757562116026
Nc1c(C(=O)N2c3ccccc3Sc3ccccc32)sc2nc3c(cc12)CCCCC3,C18195380_decoy,GCR,Decoy,0,-8.01244,-4.89,-1.98,-3.7470425121504647
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1,C09334805_decoy,GCR,Decoy,0,-10.5142,-3.33,-2.23,-3.2851047541115634
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@@H]2C[C@H](c3ccccc3)CC=C12,C09020073_decoy,GCR,Decoy,0,-10.9593,-1.84,-3.46,-3.499121152700557
Oc1ccc2ccccc2c1[C@@H]1Nc2c(OCc3ccccc3)cccc2[C@@H]2C=CC[C@H]21,C20752154_decoy,GCR,Decoy,0,-9.45555,-4.27,-2.47,-4.255943085599104
CCc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1,C20763394_decoy,GCR,Decoy,0,-11.1768,-4.53,-1.86,-4.958292514061517
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1Cl,C21218635_decoy,GCR,Decoy,0,-11.7203,-3.48,-0.84,-4.669214627312782
CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1,C21356087_decoy,GCR,Decoy,0,-9.25336,-3.48,-4.99,-4.188170049804229
Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1,C21722036_decoy,GCR,Decoy,0,-7.53374,-3.67,-4.05,-3.667411555028464
O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1,C22072342_decoy,GCR,Decoy,0,-9.83858,-3.35,-3.62,-4.220322591801186
Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2C(=O)C[C@H](C)C3)cc1Cl,C22444194_decoy,GCR,Decoy,0,-7.04219,-5.74,-3.99,-3.898906062745104
CC1(C)CC(=O)c2c(nc(Nc3ccc(Cl)cc3)nc2Nc2ccc(Cl)cc2)C1,C22444234_decoy,GCR,Decoy,0,-7.44975,-3.68,-2.54,-3.266049544378853
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1,C06655293_decoy,GCR,Decoy,0,-11.4673,-2.93,-0.79,-4.889322264738599
Oc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1,C09601561_decoy,GCR,Decoy,0,-11.3001,-3.61,-2.96,-4.291679881670931
N#Cc1c(N)nc2c(sc3nc(-c4ccccc4)cc(-c4ccccc4)c32)c1-c1ccccc1,C33789996_decoy,GCR,Decoy,0,-6.43676,-3.0,-4.67,-2.5629792495322
O=C1C=C(OCc2c(Cl)cccc2Cl)C=C/C1=C1\NNC=C1c1ccccc1,C08739645_decoy,GCR,Decoy,0,-11.2024,-3.15,-3.46,-4.715168611807817
O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1,C08820971_decoy,GCR,Decoy,0,-10.847,-4.26,-4.31,-4.807833848724747
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)c1,C14475858_decoy,GCR,Decoy,0,-9.96206,-6.0,-2.19,-4.874850219204808
Cc1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1,C39310740_decoy,GCR,Decoy,0,-6.58558,-2.24,-3.5,-2.391615831504588
Cc1cccc(O)c1NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1,C39869741_decoy,GCR,Decoy,0,-11.8584,-9.11,-2.04,-8.798709176140623
Oc1ccc2ccccc2c1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc12,C03158179_decoy,GCR,Decoy,0,-8.54488,-5.12,-3.12,-4.0888174688612775
Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3cccs3)c3c(c12)CCCC3,C40568417_decoy,GCR,Decoy,0,-9.8314,-2.38,-2.29,-3.354144074614473
Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1/C(=N/Nc1ccccc1)CCC2,C40824192_decoy,GCR,Decoy,0,-9.82677,-4.5,-1.39,-4.4652654387542405
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1,C33957588_decoy,GCR,Decoy,0,-10.6475,-4.47,-2.62,-5.23138030258797
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Nc3ccc(Cl)cc3)c2C)ccc1Br,C59597675_decoy,GCR,Decoy,0,-10.3894,-9.5,-3.89,-7.992336839113253
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(Cl)cc1,C59598344_decoy,GCR,Decoy,0,-9.95012,-9.08,-2.38,-7.861391582499743
Oc1ccc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F,C16384323_decoy,GCR,Decoy,0,-8.01299,-5.05,-0.93,-5.294799717024916
O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)c(SCCOc3ccc(F)cc3)nc2c1,C13016959_decoy,GCR,Decoy,0,-9.78379,-5.29,-4.25,-5.287476316688019
COc1ccc(CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2CC(C)C)cc1Br,C13049513_decoy,GCR,Decoy,0,-9.52556,-8.59,-3.48,-12.796168413750507
O=C([O-])CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(F)cc1,C13206668_decoy,GCR,Decoy,0,-10.9229,-3.27,-1.83,-4.561648051517555
Cc1ccc(-c2nc(CSc3nc4cc(Cl)ccc4c(=O)n3CCC(=O)[O-])cs2)cc1,C13206982_decoy,GCR,Decoy,0,-9.84235,-6.07,-1.74,-5.527028233540611
CC(C)c1ccc(C(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2-c2ccccc2)cc1,C13279554_decoy,GCR,Decoy,0,-10.0786,-4.0,-4.24,-4.631212830333136
CCc1cc2c(=O)n(CCCOC)c(SCc3c(C(=O)[O-])sc4cccc(F)c34)nc2s1,C13438583_decoy,GCR,Decoy,0,-10.8134,-2.37,-4.86,-4.460062948196834
CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Br)cc1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2,C02430744_decoy,GCR,Decoy,0,-8.95052,-4.46,-2.94,-4.588491502975619
CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(I)c(CC)n1,C13826907_decoy,GCR,Decoy,0,-10.4936,-3.53,-3.84,-4.615545179156189
CCCCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C([O-])=NC2=S)cc1,C08741228_decoy,GCR,Decoy,0,-13.4218,4.48,-3.76,-3.763400295088529
CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OCCCOc1ccccc1[C@@H](C)CC,C22257688_decoy,GCR,Decoy,0,-11.4826,-9.47,-2.59,-15.084758989312336
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1,C00702764_decoy,GCR,Decoy,0,-10.8525,-3.99,-8.88,-5.183783596453561
CCCc1nnc([S-])n1/N=C/c1ccc(OCc2ccc(Br)cc2)c(OCC)c1,C01789212_decoy,GCR,Decoy,0,-12.0501,-8.47,-3.67,-9.06334873145173
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1,C33393868_decoy,GCR,Decoy,0,-10.2465,-3.16,-4.46,-4.8319979820553
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)c1,C33499886_decoy,GCR,Decoy,0,-12.2382,-4.2,-3.32,-5.53341328152122
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(CC)cc2)cc1Cl,C16805662_decoy,GCR,Decoy,0,-11.9769,-3.99,-1.62,-6.320759898099615
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C34933019_decoy,GCR,Decoy,0,-9.88409,-2.57,-3.44,-4.472241026665609
CCN(C)/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccs3)N12,C35704599_decoy,GCR,Decoy,0,-11.0214,-3.02,-2.61,-4.950859275843977
Cc1ccc(C)c([C@H]2C(C(=O)OC(C)C)=C(C(F)(F)F)N=C3SC=C(/C=C(\[O-])N4CCCC4)N32)c1,C35705421_decoy,GCR,Decoy,0,-7.52077,-2.98,-3.27,-3.651795873259231
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CCCC3)N2[C@@H]1c1ccccc1Cl,C36053046_decoy,GCR,Decoy,0,-11.2925,-3.36,-1.76,-5.092936326829983
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CCCC3)N2[C@@H]1c1ccc(C)cc1C,C36058793_decoy,GCR,Decoy,0,-11.2801,-4.22,-2.93,-5.399670829446411
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CCCC3)N2[C@H]1c1ccc(C)cc1C,C36058794_decoy,GCR,Decoy,0,-10.4843,-2.4,-3.42,-4.3436529436516205
CCN(C)/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c3ccc(Cl)cc3)N12,C36061370_decoy,GCR,Decoy,0,-7.88692,-3.35,-2.0,-3.854727573626775
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(/C=C(\[O-])N3CCCC3)=CSC2=N1,C36071781_decoy,GCR,Decoy,0,-7.03774,-5.17,-3.67,-4.192434293901711
CC(C)(C)c1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)[O-])[C@H](c3cccnc3)O2)cc1,C36242543_decoy,GCR,Decoy,0,-9.86255,-4.35,-1.55,-4.778580810707656
CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(CC)cc3s2)cc1,C08894639_decoy,GCR,Decoy,0,-7.22686,-2.57,-1.93,-3.19082017680304
CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C([O-])C(=O)N2CCCOC)cc1,C09380620_decoy,GCR,Decoy,0,-11.2057,-2.24,-2.03,-4.9067001813784445
CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)[O-])o3)cc2[C@H]1c1ccc(F)cc1,C37601234_decoy,GCR,Decoy,0,-9.70671,-7.48,-3.36,-10.58898101954417
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C[C@@H](OC(C)=O)[C@]2(C)[C@@H]([C@H](C)CC(=O)[O-])CC[C@@H]32)C1,C37624058_decoy,GCR,Decoy,0,-10.7413,-1.74,-1.52,-4.285467879102892
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1)c1ccc(F)cc1,C39835155_decoy,GCR,Decoy,0,-11.2903,-3.41,-3.21,-5.106940748346609
Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)s2)cc1,C39835198_decoy,GCR,Decoy,0,-12.3482,-4.37,-2.29,-5.592526066787342
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccccc1)c1ccccc1,C39835272_decoy,GCR,Decoy,0,-10.2813,-3.97,-4.6,-4.887733557451195
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1cccs1)c1ccccc1,C39835315_decoy,GCR,Decoy,0,-12.3287,-4.4,-3.23,-6.212834672749468
COCCCN1C(=O)C([O-])=C(C(=O)c2sc(Sc3ccc(C)cc3)nc2C)[C@H]1c1ccc(C)cc1,C39991684_decoy,GCR,Decoy,0,-7.68691,-2.54,-1.85,-3.5700811637185046
CCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nnc(SCc3ccc(F)cc3)s2)cc1,C39997681_decoy,GCR,Decoy,0,-12.5151,-4.44,-2.71,-5.809970030593448
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(CC)cc2)s1,C39999864_decoy,GCR,Decoy,0,-11.0552,-3.03,-3.33,-4.864005785003618
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCCCC)c(OCC)c1,C40025906_decoy,GCR,Decoy,0,-10.606,-2.69,-3.79,-4.803311829141197
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc(OCCC(C)C)c(OCC)c1,C40028951_decoy,GCR,Decoy,0,-10.3238,-5.31,-4.56,-7.870334591361461
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCc3ccc(F)cc3)c2)[C@H]1c1c(F)cccc1Cl,C40030508_decoy,GCR,Decoy,0,-10.6281,-4.86,-3.06,-5.3641405839458685
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@H]1c1ccc(C(C)C)cc1,C40030934_decoy,GCR,Decoy,0,-10.6423,-3.36,-4.93,-4.787712634675447
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(N(CC)CC)cc1,C40077858_decoy,GCR,Decoy,0,-10.34,-2.95,-5.1,-4.653693987959209
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(N(C)C)cc1,C40085026_decoy,GCR,Decoy,0,-10.7538,8.53,-3.83,-0.8439996629417096
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cc(Br)ccc1OC,C40093704_decoy,GCR,Decoy,0,-11.0446,-3.3,-4.0,-4.961390130371803
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1c(Cl)cccc1Cl,C40094297_decoy,GCR,Decoy,0,-11.7738,-3.43,-2.25,-2.384068207604053
CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCCC)cc1,C40095921_decoy,GCR,Decoy,0,-9.77941,-1.99,-2.37,-4.012772021461837
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc(OCCC)c(OCC)c1,C40100137_decoy,GCR,Decoy,0,-8.719,-5.07,-1.81,-5.326913004582047
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S,C40936355_decoy,GCR,Decoy,0,-12.8247,-4.65,-2.11,-6.390394345432049
COc1cccc([C@@H]2CC(c3cccs3)=NN2/C([O-])=C/Sc2nc3ccccc3s2)c1OC,C44810009_decoy,GCR,Decoy,0,-12.7043,-3.21,-2.85,-5.15802171416162
C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(OCC)cc3)C(C(=O)OCC)=C2[O-])cc1Cl,C59366055_decoy,GCR,Decoy,0,-6.7293,-2.87,-3.11,-3.301539031443643
CCN(CC)c1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4)=NC(=O)[C@@H]32)cc1,C39731145_decoy,GCR,Decoy,0,-11.2259,-3.6,-2.99,-4.862840961518034
COCCOc1ccc(Br)cc1C(=O)Oc1ccc(Br)cc1C(=O)[O-],C66145604_decoy,GCR,Decoy,0,-8.93485,-5.03,-3.03,-7.388017958874622
Cc1c(C)c(C)c(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2C)c(C)c1C,C02094393_decoy,GCR,Decoy,0,-9.31619,-6.04,-1.55,-5.540544280815168
O=C([O-])C[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21,C02385836_decoy,GCR,Decoy,0,-8.05663,-4.14,-1.11,-3.909436751656816
CC[C@H](Sc1ncnc2scc(-c3ccc(Br)cc3)c12)C(=O)[O-],C01935992_decoy,GCR,Decoy,0,-9.31729,-3.63,-1.96,-4.413518090563395
O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3Cl)CCC[C@H]2[C@@H]1c1ccccc1Cl,C12564353_decoy,GCR,Decoy,0,-9.78689,-2.4,-1.47,-4.109197135227114
O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)c(SCc3c(F)cccc3Cl)nc2c1,C13016899_decoy,GCR,Decoy,0,-7.32777,-8.78,-4.01,-5.292302410132216
CCCCn1c(SCc2cccc(C(=O)[O-])c2)nc2sc(C)c(C)c2c1=O,C13061331_decoy,GCR,Decoy,0,-10.4825,-5.41,-2.73,-5.396580133219241
Cn1c(SCc2cccc(C(=O)[O-])c2)nc2scc(-c3ccc(F)cc3)c2c1=O,C13061963_decoy,GCR,Decoy,0,-10.9281,-3.93,-1.49,-5.113189637346644
Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cc(C(=O)[O-])ccc1Br,C13067428_decoy,GCR,Decoy,0,-9.37799,-8.74,-3.55,-8.407467757867488
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)ccc1Cl,C13074405_decoy,GCR,Decoy,0,-10.0158,-5.86,-3.83,-6.233076305749419
Cc1ccc(C(C)C)c(OS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1,C13075393_decoy,GCR,Decoy,0,-9.15301,-8.68,-3.86,-10.372686093804134
O=C([O-])c1ccc(-n2c(/C=C/c3ccccc3C(F)(F)F)nc3ccccc3c2=O)cc1,C13087027_decoy,GCR,Decoy,0,-5.16561,-4.18,-4.56,-2.7292627292102623
CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1OCc1cccs1,C13092499_decoy,GCR,Decoy,0,-12.0319,-3.59,-4.22,-5.747401347813447
O=C([O-])CCCCCn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O,C13223480_decoy,GCR,Decoy,0,-8.74978,-5.37,-3.31,-5.427729333018523
O=C([O-])c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1,C13236794_decoy,GCR,Decoy,0,-11.4876,-3.07,-1.65,-4.611841960440298
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(SC(F)(F)F)cc2)SC1=S,C13269120_decoy,GCR,Decoy,0,-10.234,-3.72,-3.19,-4.562192685935494
O=C([O-])CN1C(=O)/C(=C\c2ccc(SC(F)(F)F)cc2)c2ccccc2C1=O,C13272924_decoy,GCR,Decoy,0,-8.07561,-2.67,-5.07,-3.4201154164898573
O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1,C13303413_decoy,GCR,Decoy,0,-8.73147,-2.98,-4.71,-3.90099776171828
Cc1cc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1,C13343593_decoy,GCR,Decoy,0,-10.5045,-4.97,-2.43,-4.734177398514433
O=C([O-])c1cc(/C=C/c2cc(Br)ccc2OC(F)F)nc2ccccc12,C13351005_decoy,GCR,Decoy,0,-9.1928,-5.05,-2.0,-4.361963377882546
CC(C)Cn1c(SCc2ccc(C(=O)[O-])cc2)nc2cc(Cl)ccc2c1=O,C13355045_decoy,GCR,Decoy,0,-7.70645,-7.37,-2.54,-5.226092183613569
Cc1ccc(C)c(-n2cnnc2SCc2c(C(=O)[O-])sc3cccc(F)c23)c1,C13398149_decoy,GCR,Decoy,0,-9.10737,-8.37,,99.0
C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1/C=C/C(=O)[O-],C16030859_decoy,GCR,Decoy,0,-9.91079,-9.85,-1.68,-11.47472468430554
C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1cccc(C(=O)[O-])c1,C16928889_decoy,GCR,Decoy,0,-5.55238,-4.22,-1.91,-2.9750421130965043
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1,C08743730_decoy,GCR,Decoy,0,-10.2931,-3.92,-0.82,-4.480924314782112
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1,C13571217_decoy,GCR,Decoy,0,-10.3462,-5.41,-0.51,-5.6484382269339655
Cc1ccc(OCCOc2ccc(Br)cc2)c(/C=C2\SC(=S)N=C2[O-])c1,C22358378_decoy,GCR,Decoy,0,-9.86356,-8.33,-1.11,-6.530436527484081
Cc1ccc(-n2c(SCc3ccc(C(=O)[O-])cc3)nc3ccccc3c2=O)cc1,C28381108_decoy,GCR,Decoy,0,-9.61265,-3.97,-3.45,-4.617716217213515
O=C([O-])CC/C=C\C[C@H]1CO[C@H](c2cccc3ccccc23)O[C@H]1c1cccnc1,C36242210_decoy,GCR,Decoy,0,-9.67835,-3.66,-1.99,-4.358138349564838
O=C([O-])CC1(CC(=O)c2cc(Br)ccc2Br)CCCCC1,C37364702_decoy,GCR,Decoy,0,-9.28912,-7.25,-0.97,-10.319875461693572
CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C(C)(C)C)CC2)C(=O)[O-],C37601181_decoy,GCR,Decoy,0,-9.08981,0.77,-1.89,-3.286140719264124
Cc1ccc(Cn2c([O-])c(C(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)c(C)c(C#N)c2=O)cc1,C38624154_decoy,GCR,Decoy,0,-10.0793,-4.54,-3.58,-4.84790337694888
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)N=C1[S-],C39556997_decoy,GCR,Decoy,0,-5.29507,-5.02,-3.56,-3.6757968330617135
N#CC(=C\c1ccc(Cl)cc1)/C([O-])=N/c1nnc(SCc2ccccc2Cl)s1,C39997258_decoy,GCR,Decoy,0,-10.6768,-4.88,-1.49,-6.37302102043977
N#CC(=C\c1ccccc1F)/C([O-])=N/c1nnc(SCc2ccc(Cl)cc2)s1,C39997384_decoy,GCR,Decoy,0,-11.2143,-10.15,-1.29,-9.03802916553746
Cc1ccc(CSc2nnc(/N=C([O-])/C(C#N)=C/c3ccc(F)cc3)s2)cc1,C39997510_decoy,GCR,Decoy,0,-10.3778,-3.67,-1.0,-4.796733364279151
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCCC)cc1,C40025859_decoy,GCR,Decoy,0,-8.87318,-4.3,-2.5,-4.394590415101943
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1Cl,C40025924_decoy,GCR,Decoy,0,-10.8219,-2.8,-2.73,-4.555880441735847
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1OCCC,C40025960_decoy,GCR,Decoy,0,-8.66037,-8.62,-2.34,-11.705255123439292
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1OCCC,C40025961_decoy,GCR,Decoy,0,-9.5869,-4.12,-3.77,-4.849223288236248
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1/C=C/c1ccccc1,C40027237_decoy,GCR,Decoy,0,-10.6693,-3.44,-3.85,-5.271015352821903
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCCC)c(C)c2)[C@@H]1c1cccs1,C40027673_decoy,GCR,Decoy,0,-10.1228,-3.46,-4.79,-5.137519777966772
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2C)[C@@H]1c1ccc(C)cc1,C40081791_decoy,GCR,Decoy,0,-8.42862,0.58,-2.05,-2.841066900763816
CCCCc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)o2)cc1,C40564334_decoy,GCR,Decoy,0,-10.5558,-6.58,-0.82,-7.461326890671229
COc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccc(Cl)cc3)c(C)s2)cc1,C40927150_decoy,GCR,Decoy,0,-10.3211,-3.58,-1.4,-4.363535499023152
C/C=C/C=N/N=C1\C(C(=O)C(c2ccccc2)c2ccccc2)=C([O-])c2ccccc21,C43763919_decoy,GCR,Decoy,0,-9.17034,-4.5,,99.0
CCCCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C([O-])CCCC2=N1,C13284547_decoy,GCR,Decoy,0,-7.75774,-4.45,-4.94,-4.38128996741461
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(Br)c1,C65004100_decoy,GCR,Decoy,0,-10.6527,-3.53,-1.48,-4.680904374679415
CCCCCCOc1ccc(Br)cc1C(=O)N1CCC(C(=O)[O-])CC1,C66057237_decoy,GCR,Decoy,0,-9.21929,-7.66,-2.41,-8.738694813593243
CC[C@H](C)c1ccc(OCC(=O)Oc2ccccc2C(=O)[O-])c(Br)c1,C66144098_decoy,GCR,Decoy,0,-7.94956,-6.71,-5.55,-6.982909182989495
CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(Br)cc2C(=O)[O-])cc1,C66145711_decoy,GCR,Decoy,0,-8.81903,-2.73,-3.93,-3.946438071286042
O=C([O-])CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S,C02288731_decoy,GCR,Decoy,0,-10.0312,10.97,-3.29,0.4598134754519755
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)[O-])C3=O)o2)cc1,C12414297_decoy,GCR,Decoy,0,-10.2802,-2.26,-1.81,-4.401618755383336
COCCCn1c(SCc2ccc(C(=O)[O-])cc2)nc2sc3c(c2c1=O)CCCS3,C13058067_decoy,GCR,Decoy,0,-12.6458,-4.1,-3.28,-5.420775869798226
O=C([O-])CCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)nc2ccccc2c1=O,C13233474_decoy,GCR,Decoy,0,-10.1743,-3.85,-2.78,-4.867717624717833
CCOCCCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])nnc1-c1ccncc1,C13253775_decoy,GCR,Decoy,0,-8.86051,-5.03,-3.38,-5.17472855329772
COc1ccc(CSc2nnc(-c3cccs3)n2[C@H](C(=O)[O-])C(C)C)cc1Br,C13272120_decoy,GCR,Decoy,0,-9.22977,-6.57,-2.78,-7.721551495313279
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)n2CCC(=O)[O-])cc1,C13274360_decoy,GCR,Decoy,0,-10.1754,-4.16,-1.72,-5.418990938175998
O=C([O-])c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCCCC(=O)c3ccccc3)nc2c1,C13280116_decoy,GCR,Decoy,0,-9.91396,-4.77,-4.0,-4.957566449010891
Cc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)n2CC(=O)[O-])cc1,C13280825_decoy,GCR,Decoy,0,-8.86502,-3.02,-2.82,-4.355086843827857
CCN(CC)C(=O)CSc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1,C13319478_decoy,GCR,Decoy,0,-11.4899,-7.45,-3.34,-13.173828622872271
C=CCOc1c(Br)cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OCC,C13362984_decoy,GCR,Decoy,0,-11.488,-7.53,-2.83,-9.125060027534545
CCCC[n+]1c(-c2ccc(C(=O)[O-])cc2)cc(-c2ccccc2)cc1-c1ccc(C(=O)[O-])cc1,C15770131_decoy,GCR,Decoy,0,-5.81519,-1.29,-4.19,-2.4543819028112424
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)[O-])C3=O)o2)cc1,C16694905_decoy,GCR,Decoy,0,-10.8977,-7.16,-4.31,-8.840173346082501
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](CC)C(=O)[O-],C16918170_decoy,GCR,Decoy,0,-11.0323,-9.23,-3.46,-8.6994256522351
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](CC)C(=O)[O-],C16918200_decoy,GCR,Decoy,0,-7.82474,-3.81,-3.29,-4.202268190475547
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C([O-])=NC2=S)cc1,C19813848_decoy,GCR,Decoy,0,-11.6618,-3.29,-4.67,-4.898280288813327
C=CCc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)C(=S)N=C2[O-])cc(OCC)c1OCC(=O)[O-],C19888670_decoy,GCR,Decoy,0,-11.5248,-2.62,-4.31,-4.742448838540869
CC[C@@H](Oc1ccc(/C=C2/SC([N-]c3ccc(Cl)cc3)=NC2=O)cc1OC)C(=O)[O-],C16913340_decoy,GCR,Decoy,0,-10.7344,-3.07,-2.39,-4.432455188721622
CCOc1cc(/C=C2/SC([N-]c3ccc(Br)cc3)=NC2=O)ccc1OCC(=O)[O-],C16916269_decoy,GCR,Decoy,0,-10.8208,-2.89,-4.43,-4.75736720457823
CCOc1cc(/C=C2/SC([N-]c3ccc(Cl)cc3)=NC2=O)ccc1O[C@@H](C)C(=O)[O-],C16917941_decoy,GCR,Decoy,0,-10.7473,26.33,-1.21,7.341613948953192
CCOc1cc(/C=C2/SC([N-]c3ccc(Br)cc3)=NC2=O)ccc1O[C@@H](C)C(=O)[O-],C16917962_decoy,GCR,Decoy,0,-10.8842,-3.0,-4.27,-4.914032852116091
CCOc1cc(/C=C2/SC([N-]c3cccc(Cl)c3Cl)=NC2=O)ccc1O[C@@H](C)C(=O)[O-],C16917981_decoy,GCR,Decoy,0,-11.7287,-3.49,,99.0
CCOc1cc(/C=C2/SC([N-]c3ccccc3C(=O)OC)=NC2=O)ccc1O[C@@H](CC)C(=O)[O-],C16919368_decoy,GCR,Decoy,0,-10.6723,-3.25,-4.13,-5.221839436629368
O=C([O-])CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S,C32694338_decoy,GCR,Decoy,0,-9.63833,-6.28,-3.83,-7.995470311265002
CCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2C[C@H]2CCCO2)cc1,C38241394_decoy,GCR,Decoy,0,-10.3133,6.07,-4.11,-2.00892515707948
O=C([O-])CCCCCN1C(=O)c2ccccc2N[C@H]1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1,C39647039_decoy,GCR,Decoy,0,-7.26794,-5.78,-1.96,-4.885802945149745
Cc1cccc([C@@H]2NN=C(SCc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)N2CCC(=O)[O-])c1,C39647079_decoy,GCR,Decoy,0,-9.83658,-4.46,-3.06,-4.810531338266563
Cc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc([O-])c1CCC(=O)[O-],C13449139_decoy,GCR,Decoy,0,-11.0966,-8.9,-1.97,-9.914814435261396
Cc1nc(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nc([O-])c1CCC(=O)[O-],C13449199_decoy,GCR,Decoy,0,-11.022,-5.51,-2.71,-5.614805970058369
Cc1nc(SCC(=O)C2=C[C@@H](C)N(c3ccc(F)c(Cl)c3)[C@H]2C)nc([O-])c1CCC(=O)[O-],C39668008_decoy,GCR,Decoy,0,-9.58497,-9.3,-3.5,-8.595629596052909
Cc1nc(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc([O-])c1CCC(=O)[O-],C13450520_decoy,GCR,Decoy,0,-9.27054,-4.53,-1.94,-5.216412697924537
COC(=O)c1ccc(N2[C@H](C)C=C(C(=O)CSc3nnc(CCC(=O)[O-])c([O-])n3)[C@@H]2C)cc1,C39704045_decoy,GCR,Decoy,0,-11.6792,-8.21,-4.42,-8.168284221439949
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)[C@@H]1c1ccco1,C40030255_decoy,GCR,Decoy,0,-9.45184,-2.89,-2.26,-4.210096473440346
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S,C40564432_decoy,GCR,Decoy,0,-12.1886,-5.14,-2.26,-6.308548830799958
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC1CCC(CC2CCC(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)CC1,C16137758_decoy,GCR,Decoy,0,-6.83738,-4.49,-2.16,-3.852617352749312
CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(=O)n(CCCOC)c([S-])nc2c1,C45902124_decoy,GCR,Decoy,0,-11.1446,-7.3,-2.63,-11.810486578163584
COc1ccc(-c2nnc(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)n2CC(=O)[O-])cc1,C13232016_decoy,GCR,Decoy,0,-10.4503,-4.84,-1.22,-5.523562089904278
CCN(CC)S(=O)(=O)c1ccc(Sc2nc3sc(C(=O)[O-])c(C)c3c(=O)[nH]2)c(C(=O)[O-])c1,C13273639_decoy,GCR,Decoy,0,-11.9719,-3.49,-3.68,-5.219934329985134
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc(CCC(=O)[O-])c([O-])n2)sc2c1CC[C@@H](C)C2,C13092753_decoy,GCR,Decoy,0,-9.26247,-4.43,-4.02,-5.387080746196553
CC(C)CN/C(=N\c1nnn[n-]1)Nc1cccc(/C(=C\CCCC(=O)[O-])c2cccnc2)c1,C13796612_decoy,GCR,Decoy,0,-9.24613,-8.99,-3.2,-11.197563726824736
CCOc1cc(/C=C2/SC([N-]c3ccc(OC)cc3)=NC2=O)ccc1O[C@H](CC)C(=O)[O-],C16919189_decoy,GCR,Decoy,0,-10.8391,12.62,-1.53,0.7366514534316514
C=CCc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])cc(OC)c1OCC(=O)[O-],C59136389_decoy,GCR,Decoy,0,-8.65765,19.63,-2.22,5.000274406263371
CCOC(=O)C1=C([O-])/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S/C1=N\c1ccc(CC)cc1,C59437153_decoy,GCR,Decoy,0,-6.82555,-3.8,-2.45,-3.519028494357744
CC[C@H](Oc1cccc(/C=C2\S/C(=N/c3ccccc3C(=O)[O-])N(CC)C2=O)c1)C(=O)[O-],C16932017_decoy,GCR,Decoy,0,-8.72516,-3.42,-3.9,-4.266198124901858
CC[C@H](Oc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(CC)C1=O)C(=O)[O-],C16932232_decoy,GCR,Decoy,0,-8.94763,-3.61,-3.84,-4.630260098046544
COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C(=O)[O-])cc1OC(F)F,C60060005_decoy,GCR,Decoy,0,-7.11808,-8.13,-2.72,-8.040479818649581
COc1ccc(-c2nc(SC)nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C#N)cc1OC,C62039741_decoy,GCR,Decoy,0,-10.4539,-3.53,-2.29,-4.779115150135773
CC1=C(C(=O)N/N=C/c2ccc(C(=O)[O-])cc2)[C@@H](C)C(C(=O)N/N=C/c2ccc(C(=O)[O-])cc2)=N1,C63770267_decoy,GCR,Decoy,0,-11.4595,-9.63,-3.54,-13.477946987408052
C=CCN1C(=O)/C(=C/c2cccc(O[C@H](C)C(=O)[O-])c2)S/C1=N\c1ccccc1C(=O)[O-],C16928760_decoy,GCR,Decoy,0,-9.31685,-3.95,-4.17,-4.583429060128377
C=CCN1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)[O-])S/C1=N\c1ccc(C(=O)[O-])cc1,C16929314_decoy,GCR,Decoy,0,-8.44493,-3.5,-4.24,-4.116351831897102
CCOCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S,C08769324_decoy,GCR,Decoy,0,-7.51445,-4.39,-4.46,-3.99724164070665
C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1,C08772422_decoy,GCR,Decoy,0,-12.7844,-2.84,-4.7,-5.735890437072371
CCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2cc(S(C)(=O)=O)ccc21,C09299587_decoy,GCR,Decoy,0,-11.673,-4.19,-2.26,-5.57577231213291
CCS(=O)(=O)c1ccc(CC(=O)/N=c2/sc3cc4c(cc3n2CCSC)OCCO4)cc1,C09566195_decoy,GCR,Decoy,0,-12.0822,-3.1,-1.34,-4.966006051657977
CCS(=O)(=O)c1ccc(CC(=O)N(CCCn2ccnc2)c2nc3c(C)ccc(C)c3s2)cc1,C10584485_decoy,GCR,Decoy,0,-11.472,-5.48,-4.14,-6.464649247827064
CSc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12,C10822214_decoy,GCR,Decoy,0,-9.8936,-3.91,-3.36,-4.954793845084765
CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1,C10832866_decoy,GCR,Decoy,0,-9.54314,-1.84,-2.94,-3.769421884857751
CC[C@@H](C)N(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1,C15223224_decoy,GCR,Decoy,0,-9.859,-3.31,-4.53,-4.377510667607649
Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1-c1ccc(OC(F)F)cc1,C17893269_decoy,GCR,Decoy,0,-9.5438,-6.64,-4.15,-6.934004574326187
Cc1ccn(CCn2c3c(cc(-c4cccc(F)c4)c2=O)CN(Cc2cnc(N(C)C)s2)CC3)n1,C14743321_decoy,GCR,Decoy,0,-13.266,3.39,-4.5,-3.493274622675794
CC[C@@H](SC1=N/C(=C\c2ccsc2)C(=O)N1c1ccc(OC)c(Cl)c1)C(=O)N1CCOCC1,C20151996_decoy,GCR,Decoy,0,-12.0855,-3.74,-4.67,-5.274290703372685
CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1-c1ccc(OCC)cc1,C03018717_decoy,GCR,Decoy,0,-7.78636,-3.03,-2.72,-4.015809222240771
CCS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)cc(Cl)cc3s2)cc1,C20801223_decoy,GCR,Decoy,0,-11.4051,25.98,-2.3,7.1389871749144325
CC[C@@H](C)c1ccc(-n2c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1,C20983731_decoy,GCR,Decoy,0,-5.80959,-3.32,-4.52,-3.194270652543336
CCSc1nnc(SCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)s1,C22297490_decoy,GCR,Decoy,0,-12.4008,-9.03,-2.5,-15.10057503267002
COc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)CCCS(=O)(=O)c3ccccc3)nc12,C22902712_decoy,GCR,Decoy,0,-10.8323,-3.79,-4.92,-5.423311255387718
C[C@H](c1ccccc1)N1CCN(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)CC1,C23175100_decoy,GCR,Decoy,0,-10.7558,-9.66,-1.99,-9.469023138582056
N#Cc1ccccc1-c1ccc(COc2coc(CN3CCN(C(=O)Cc4cccs4)CC3)cc2=O)cc1,C23439575_decoy,GCR,Decoy,0,-12.9004,-3.56,-5.42,-5.183152465786027
O=C(CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1)N1CCOCC1,C23563664_decoy,GCR,Decoy,0,-12.5029,-8.45,-4.26,-11.08554096317179
CCCn1c(SCC(=O)N(CC)Cc2ccc3c(c2)OCCO3)nc2sc3c(c2c1=O)CCC3,C24137560_decoy,GCR,Decoy,0,-10.6827,-2.93,-3.86,-4.908765246940477
CCn1c(SCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)nnc1-c1ccc(OC)cc1,C24142601_decoy,GCR,Decoy,0,-10.8384,-5.99,-7.81,-12.461763564658725
CCOc1cc(/C=c2/sc3nc([C@@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)ccc1OC(C)=O,C27024147_decoy,GCR,Decoy,0,-11.9767,-3.71,-3.58,-5.242622805806655
CCc1ccc2oc(C(=O)N(Cc3ccc(N(CC)CC)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1,C27793984_decoy,GCR,Decoy,0,-11.0328,-2.11,-4.46,-4.405840876723945
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C(=O)c2ccc(Cl)cc2Cl)n2cc(Cl)ccc2=O)C1,C27909645_decoy,GCR,Decoy,0,-10.8571,-6.77,-3.28,-8.311546823213732
CCOC(=O)[C@@H]1CCCN(C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2CC)C1,C29813262_decoy,GCR,Decoy,0,-12.2103,-3.73,-9.87,-5.29139257867083
Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(C(C)C)S(=O)(=O)c1ccccc1,C33546188_decoy,GCR,Decoy,0,-10.1567,-7.96,-5.73,-9.397685950792756
CC[C@H](c1nc2ccccc2c(=O)n1CCOC)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1,C35035084_decoy,GCR,Decoy,0,-9.18002,-3.19,-4.78,-4.359750018518768
O=C(c1ccco1)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)Cc1ccco1,C35742205_decoy,GCR,Decoy,0,-10.0258,-6.96,-3.69,-9.873255466788384
CC(C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2,C36121406_decoy,GCR,Decoy,0,-9.62735,-8.72,-2.42,-8.77199127007456
CCCn1c(SCC(=O)N2CCC[C@@H](C(=O)OCC)C2)nc2ccc(Br)cc2c1=O,C36852460_decoy,GCR,Decoy,0,-10.2714,-3.48,-2.19,-5.161168804698533
O=C(OCCOc1ccc(Br)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,C15152885_decoy,GCR,Decoy,0,-9.96071,-8.78,-3.21,-11.667771903903237
Cc1cccc2sc(N(CCCN3CCOCC3)C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)nc12,C36652704_decoy,GCR,Decoy,0,-7.79584,-3.37,-3.13,-3.712034222473308
CC[C@H](C)CC1=C2C(=O)N=C(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)N=C2S[C@@H]1C,C38769481_decoy,GCR,Decoy,0,-11.2092,-5.8,-2.74,-8.501963979138875
COc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12,C38836810_decoy,GCR,Decoy,0,-11.6736,-3.64,-4.32,-5.205107853812024
Cc1cc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1,C39477232_decoy,GCR,Decoy,0,-10.9526,-9.76,-3.73,-12.317267759904956
Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2C=C(c3ccccc3)N=N2)CC1,C39478570_decoy,GCR,Decoy,0,-11.3628,10.62,-3.84,-0.3774698838165388
CCOC(=O)c1c(Cn2cncn2)cc2cc(F)c(S(=O)(=O)C(C)C)cc2c1-c1cccc(Cl)c1,C39502654_decoy,GCR,Decoy,0,-6.96413,5.79,-4.26,-0.3862821729066098
CCOC(=O)c1c(Cn2cncn2)cc2cc(S(=O)(=O)C(C)C)c(F)cc2c1-c1cccc(Cl)c1,C39502834_decoy,GCR,Decoy,0,-8.01809,-3.09,-3.85,-3.847007567111696
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S,C39769209_decoy,GCR,Decoy,0,-12.0294,-6.05,-3.74,-11.241268161666984
CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O,C39770131_decoy,GCR,Decoy,0,-5.30581,-3.05,-3.34,-2.5725533016157143
CCCCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O,C39770589_decoy,GCR,Decoy,0,-5.43774,-2.34,-13.11,-2.3956120194400827
CCCCn1c(N2C[C@@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O,C39770766_decoy,GCR,Decoy,0,-10.2673,-3.39,-2.99,-4.785244874057041
CCCCn1c(N2C[C@@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O,C39991379_decoy,GCR,Decoy,0,-10.8883,-2.82,-3.71,-4.564551647250148
CCOCCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3ccc(C)cn3c2=O)SC1=S,C39999384_decoy,GCR,Decoy,0,-7.72843,-3.75,-2.62,-3.8789838059883097
CCOc1ccc(-c2cc(=O)n(CCCC(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)cn2)cc1,C49428067_decoy,GCR,Decoy,0,-11.3239,-5.43,-1.87,-6.744405572459501
O=C(c1ccc(OCc2nc(-c3ccco3)cs2)cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,C56932469_decoy,GCR,Decoy,0,-12.3431,-3.7,-2.44,-5.903587654868886
Cc1cc(C(=O)COC(=O)Cn2c(=O)cnc3ccccc32)c(C)n1-c1ccc(Br)cc1,C21468142_decoy,GCR,Decoy,0,-9.60913,-3.65,-2.07,-4.674737922954309
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)C1,C67216683_decoy,GCR,Decoy,0,-10.8394,-3.44,-2.49,-4.99980111328033
CCOC(=O)[C@H]1CCCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)C1,C67217625_decoy,GCR,Decoy,0,-10.8695,-3.36,-5.62,-5.124998102781108
CCOC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(F)cc(F)c2)CC1,C67217697_decoy,GCR,Decoy,0,-9.52339,-3.66,-3.08,-4.526456104836564
Cc1ccc(N2NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1,C03136514_decoy,GCR,Decoy,0,-9.58494,-6.24,-4.75,-4.832227565970288
Cc1cc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1,C00898834_decoy,GCR,Decoy,0,-11.1857,-4.69,-2.31,-4.082849457640265
Nc1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1,C00704325_decoy,GCR,Decoy,0,-10.2788,-8.6,-0.79,-11.340183017025042
CNC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCC2,C04348768_decoy,GCR,Decoy,0,-10.8922,1.81,-1.09,-3.132364417047472
O=C1C(Cl)=C(Nc2ccccc2O)C(=O)N1c1ccc(Br)cc1,C00710194_decoy,GCR,Decoy,0,-9.43494,-1.5,-0.73,-3.445614198616155
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccs1,C01475165_decoy,GCR,Decoy,0,-9.87594,-3.08,-0.48,-4.008295508539872
Cc1ccc(Br)c(N2C(=O)Nc3cc(Cl)c(Cl)cc3N2O)c1,C05201016_decoy,GCR,Decoy,0,-9.80153,-3.7,-0.64,-3.351940660768028
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(-c3ccccc3)o1)Sc1ccccc12,C02242485_decoy,GCR,Decoy,0,-9.75279,-4.75,-1.65,-4.306051234464897
O=c1[nH]ncc(N/N=C/c2c(Cl)ccc(Cl)c2Cl)c1Br,C06622462_decoy,GCR,Decoy,0,-9.70892,-7.55,-1.3,-7.784174236186982
Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Br)cc2)C2=C1C(=O)CCC2,C01436332_decoy,GCR,Decoy,0,-10.9413,-2.32,-1.94,-3.757665159621296
Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c(C)s1,C09981318_decoy,GCR,Decoy,0,-10.3837,-3.17,-2.51,-3.722328627843344
Cc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1,C02520972_decoy,GCR,Decoy,0,-6.79129,-3.88,-2.34,-2.618860578168651
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccc(Br)cc2)o1,C02291241_decoy,GCR,Decoy,0,-10.2489,-4.14,-2.31,-4.1546130686835605
O=C(c1n[nH]c2c1CCC2)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F,C12306129_decoy,GCR,Decoy,0,-9.80577,-4.69,-4.43,-4.396347081106796
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21,C14460842_decoy,GCR,Decoy,0,-7.72015,-3.97,-1.35,-3.463828251350738
COC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@H]21,C14460971_decoy,GCR,Decoy,0,-10.5142,-6.01,-2.44,-4.986487475179801
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2,C14468077_decoy,GCR,Decoy,0,-11.4256,-2.54,-4.37,-4.054793593774753
CCOc1cc2c3c(c1)[C@@]1(NCCc4c1[nH]c1ccccc41)C(=O)N3C(C)(C)C=C2C,C19890843_decoy,GCR,Decoy,0,-9.47849,-3.72,-3.49,-3.7720072747713465
Cc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(C)c2ccc(Br)cc21,C20064220_decoy,GCR,Decoy,0,-10.9346,-3.52,-4.42,-2.638278869986871
N#CC1(C#N)[C@@H]2c3ccccc3C=CN2[C@@H](C(N)=O)[C@@H]1c1ccc(F)c(Br)c1,C20458731_decoy,GCR,Decoy,0,-10.6806,-3.11,-2.02,-3.960911106890653
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21,C20695861_decoy,GCR,Decoy,0,-9.73682,-3.4,-0.45,-3.6892718984027217
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2,C20695918_decoy,GCR,Decoy,0,-8.46371,-4.27,-3.46,-3.59430869782868
COC(=O)c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21,C20696019_decoy,GCR,Decoy,0,-10.1576,-3.87,-0.66,-4.349465782445025
O=C(Nc1cccc2cn[nH]c12)c1cc(Br)ccc1I,C26873057_decoy,GCR,Decoy,0,-9.17623,-8.68,-0.76,-9.708117405029972
Nc1nc(Cn2cc(C(F)(F)F)ccc2=O)nc2sc3c(c12)CCCCC3,C31625446_decoy,GCR,Decoy,0,-9.59655,6.2,-1.31,-1.4186185961183169
Cc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1,C17222136_decoy,GCR,Decoy,0,-9.90602,-10.88,-2.88,-10.09792966806041
Cc1cc(Br)cc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1O,C32099498_decoy,GCR,Decoy,0,-10.0787,-6.59,-2.23,-5.870023664268468
C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(I)c3)[C@H]2C1,C08742156_decoy,GCR,Decoy,0,-9.79531,-3.63,-2.19,-3.443988909271723
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)C=C1c1ccc(Br)cc1,C03078632_decoy,GCR,Decoy,0,-10.0467,-3.41,-1.36,-3.864951222878811
O=C1Nc2ccccc2/C1=N/N=C/c1cc(Cl)cc(I)c1O,C36617125_decoy,GCR,Decoy,0,-10.1429,-3.46,-6.32,-3.8000818458175134
NS(=O)(=O)c1cc(Br)c(OC2CCCCC2)c(Br)c1,C36948783_decoy,GCR,Decoy,0,-10.6838,-7.2,-0.6,-11.084262121641585
Cc1cc(Br)c(NC(=O)NC(=O)[C@@H](C)Cl)c(Br)c1,C37327831_decoy,GCR,Decoy,0,-8.88798,-6.26,-1.47,-10.836675758437169
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)N=N[C@@H]1N2,C39359103_decoy,GCR,Decoy,0,-12.039,-5.03,-1.63,-4.892804272001579
CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H](COC3=C[C@H]4OC(=O)CC=C4C=C3)[C@](C)(O)CC[C@@H]12,C05645053_decoy,GCR,Decoy,0,-11.6319,-4.37,-2.57,-4.806911191437158
CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)c(Cl)c4)[C@@H]3[C@H]1CC2,C44590400_decoy,GCR,Decoy,0,-10.2569,-3.32,-2.47,-3.3287468000842075
NS(=O)(=O)c1ccc(Oc2cccc(I)c2)c(Cl)c1,C48758943_decoy,GCR,Decoy,0,-9.74978,-8.69,-0.33,-8.55051715010428
Cc1ccc(-c2nnnn2-c2cc(Br)ccc2Br)cc1N,C49121966_decoy,GCR,Decoy,0,-9.58735,-7.21,-1.8,-7.003325520794757
Nc1cccc2c1C(=O)N(c1ccc(Br)cc1Br)C2=O,C49184061_decoy,GCR,Decoy,0,-9.08828,-8.88,-5.03,-7.201737134623133
O=C1CS[C@H](c2ccc(Cl)cc2Cl)c2c(O)nn(C3CCCCC3)c2N1,C05447810_decoy,GCR,Decoy,0,-9.21258,-2.73,-2.36,-3.3498360841695964
C[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br,C50563821_decoy,GCR,Decoy,0,-8.76493,-7.19,-0.48,-9.47748916859755
O=S(=O)(N[C@@H]1CCCC[C@H]1O)c1c(Cl)cc(Br)cc1Cl,C52003808_decoy,GCR,Decoy,0,-10.1237,-7.32,-0.93,-10.692260496735065
[H]/N=C1\S/C(=C\c2cc(Br)cc(Br)c2O)C(=O)N1c1ccccc1,C15052902_decoy,GCR,Decoy,0,-10.8198,-4.65,-1.8,-4.5458254992758285
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccc(Br)cc1)Sc1ccccc12,C55104754_decoy,GCR,Decoy,0,-10.2562,-1.69,-6.05,-2.871764099085392
O=C(Nc1ccc(-n2cccn2)c(F)c1)c1[nH]c2ccccc2c1Br,C58566736_decoy,GCR,Decoy,0,-8.78986,-3.72,-0.58,-4.188182670367612
Cc1cc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)ccc1Br,C59249444_decoy,GCR,Decoy,0,-8.54322,-8.81,-1.68,-8.635604996787448
C[C@@H](NC(=O)c1c(Br)c2ccccc2n1C)c1nc2ccccc2[nH]1,C44919494_decoy,GCR,Decoy,0,-8.94983,-8.9,-2.57,-8.091243720800161
Nc1ccc(Br)c(-c2nnnn2-c2cc(Br)ccc2Cl)c1,C61692380_decoy,GCR,Decoy,0,-10.047,-7.09,-2.05,-7.738660304208415
Nc1c(Br)cc(Br)cc1-c1nc(CC(F)(F)F)no1,C62825250_decoy,GCR,Decoy,0,-8.87118,-7.54,-0.46,-6.76410329804676
Nc1c(Br)cc(Br)cc1-c1nncn1-c1ccccc1,C62825314_decoy,GCR,Decoy,0,-9.17542,-8.01,-1.18,-8.998970090014824
N#CC1=C(N)OC2=NN=C(c3ccccc3Cl)[C@H]2[C@H]1c1cccc2ccccc12,C05491545_decoy,GCR,Decoy,0,-8.91772,-4.9,-2.43,-3.9810589875617968
O=C(Nc1cccc2ccccc12)c1ccccc1I,C01087290_decoy,GCR,Decoy,0,-8.62721,-9.09,-0.64,-8.976413845061943
O=C1C[C@@H](c2ccccc2F)c2cc(Br)c3ccccc3c2N1,C00672617_decoy,GCR,Decoy,0,-9.35321,-3.86,-0.29,-3.3629242081046
O=C1C[C@H](c2ccc(F)c(Br)c2)c2ccc3ccccc3c2N1,C01082722_decoy,GCR,Decoy,0,-9.7615,-1.72,-0.63,-2.7533158713481014
Ic1ccc(CSc2nc3ccccc3[nH]2)cc1,C01445520_decoy,GCR,Decoy,0,-9.4225,-6.35,-0.44,-5.931776123888555
O=C(NC1CCCCCC1)c1cc(Br)ccc1Br,C00642772_decoy,GCR,Decoy,0,-9.28941,-2.75,-0.18,-3.8308013505790752
O=C1NC(=S)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1,C01131034_decoy,GCR,Decoy,0,-11.605,-8.39,-4.14,-11.974274157165397
C[C@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C12CC3CC(CC(C3)C1)C2,C04699444_decoy,GCR,Decoy,0,-9.77425,-9.48,-0.62,-15.22995427684402
O=C(Nc1ccc(Br)cc1)/C(Br)=C/c1ccccc1,C00955917_decoy,GCR,Decoy,0,-8.84302,-3.31,-1.04,-3.816375233888374
O=C(Nc1c(F)cc(F)cc1Br)c1cc2c(s1)CCCC2,C01055462_decoy,GCR,Decoy,0,-9.33168,-8.17,-1.69,-7.332120049323414
C[C@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3Cl)c(C#N)c2C1,C05185865_decoy,GCR,Decoy,0,-10.2267,-3.12,-0.97,-4.063239493442223
O=C1/C(=C/c2cc(Cl)cc(Br)c2O)Sc2ccccc21,C00755221_decoy,GCR,Decoy,0,-9.73997,-4.29,-0.31,-4.031335455833029
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1F,C12740252_decoy,GCR,Decoy,0,-7.8661,-8.25,-0.95,-8.80102086922084
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1F,C12740254_decoy,GCR,Decoy,0,-8.34757,-8.28,-1.68,-10.74929782121614
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1F,C12740256_decoy,GCR,Decoy,0,-8.34977,-7.44,-1.61,-6.582795122287323
N#Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1Cl,C14686232_decoy,GCR,Decoy,0,-9.49676,-9.11,-1.08,-8.50826182438512
N#Cc1ccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)cc1,C20303945_decoy,GCR,Decoy,0,-9.51686,-8.58,-1.13,-8.186590123264251
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20707868_decoy,GCR,Decoy,0,-9.62644,7.06,-1.58,-0.7427844498868823
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)cc1F,C25144666_decoy,GCR,Decoy,0,-8.03237,-5.54,-0.64,-4.938153250454815
Cc1ccc(C(=O)Nc2cc(Br)ccc2Br)s1,C31950883_decoy,GCR,Decoy,0,-8.7198,-7.67,-1.24,-8.091117983034009
Cc1nc([C@@H](C)Nc2ccc(I)cc2Cl)c(C)s1,C37105120_decoy,GCR,Decoy,0,-9.5862,-7.08,-0.68,-10.88491255169813
Cc1cc([C@H](C)Nc2ccc(I)cc2Cl)c(C)o1,C37105544_decoy,GCR,Decoy,0,-8.81791,-7.78,-2.38,-7.264356948936391
CSc1cccc(N[C@H]2CCCOc3cc(Br)ccc32)c1,C37188394_decoy,GCR,Decoy,0,-10.3199,-7.19,-1.8,-10.484232038133364
Cc1ncsc1[C@@H](C)Nc1c(Cl)cc(Br)cc1Cl,C37249203_decoy,GCR,Decoy,0,-9.61009,-7.08,-1.72,-8.331789570436175
C[C@H](Nc1cnc2ccccc2c1)c1ccc(I)cc1,C37284104_decoy,GCR,Decoy,0,-8.89699,-3.77,-0.49,-3.82937303369133
C[C@@H](C#N)CNc1c(Br)cc(Br)cc1Br,C36677355_decoy,GCR,Decoy,0,-9.23364,-6.26,-0.55,-7.013985555794941
O=c1[nH]c(CCl)nc2scc(-c3cc(F)c(Cl)cc3Cl)c12,C37735183_decoy,GCR,Decoy,0,-10.7043,-7.48,-0.59,-9.920182915949326
O=C(/N=C1/NCCS1)c1sc2cc(Cl)cc(Cl)c2c1Cl,C03315683_decoy,GCR,Decoy,0,-10.7349,-7.92,-0.66,-8.708257475298943
C[C@H](CC#N)Nc1c(Br)cc(Br)cc1Br,C37871354_decoy,GCR,Decoy,0,-8.59957,-5.95,-1.35,-9.377129659737232
O=C(Nc1ccc2sccc2c1)c1cc(Br)ccc1Cl,C37979538_decoy,GCR,Decoy,0,-9.18457,-8.66,-0.84,-7.193572503658027
Oc1ccccc1[C@@H]1CC[C@@]2(C[C@H](I)CN2Br)C1,C39506852_decoy,GCR,Decoy,0,-9.23149,-8.04,-1.33,-6.887323490309784
Oc1ccccc1[C@@H]1CC[C@]2(C[C@H](Br)CN2I)C1,C39507386_decoy,GCR,Decoy,0,-9.55999,-6.84,-0.69,-6.111840133837
Oc1ccccc1[C@@H]1CC[C@@]2(C[C@H](Br)CN2I)C1,C39507388_decoy,GCR,Decoy,0,-9.5254,-3.05,-0.46,-3.0936293691937395
Oc1ccccc1[C@H]1CC[C@@]2(C[C@H](Br)CN2I)C1,C39507389_decoy,GCR,Decoy,0,-9.31619,-4.24,-0.68,-3.558884470246379
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Br)c(F)c1,C43580249_decoy,GCR,Decoy,0,-8.11541,-3.74,-0.84,-4.126596575068617
CCc1ccc([C@@H](Br)c2ccc3c(c2)CCCC(=O)N3)s1,C43640501_decoy,GCR,Decoy,0,-10.0431,-8.89,-0.67,-8.829255427608645
Cc1cc(Br)cc(C)c1NC(=O)c1cc(Cl)sc1Cl,C45999171_decoy,GCR,Decoy,0,-9.93632,-2.61,-2.67,-3.6627450814554985
Cc1ccc(Br)cc1NC(=O)c1sccc1Br,C46371501_decoy,GCR,Decoy,0,-9.22335,-7.28,-1.04,-9.149452008908694
C[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(Br)s1,C46995148_decoy,GCR,Decoy,0,-10.6624,-7.96,-0.99,-8.701306809865137
C[C@@H](NC(=O)c1sccc1Br)c1ccc(Br)cc1,C47883095_decoy,GCR,Decoy,0,-7.85409,-3.39,-2.02,-3.133362060168752
O=C(NC[C@@H]1CC=CCC1)c1cc(Br)c(Br)s1,C49278829_decoy,GCR,Decoy,0,-10.5296,-6.4,-0.5,-6.799580286187014
O=C(c1ccc(Br)o1)c1c[nH]c2cc(Br)ccc12,C50165886_decoy,GCR,Decoy,0,-8.8587,-6.87,-0.59,-6.798284387166497
Clc1ccccc1NCc1cc(Br)c(Br)o1,C50358444_decoy,GCR,Decoy,0,-8.62638,-6.53,-1.29,-7.92685642115836
Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1F,C01107516_decoy,GCR,Decoy,0,-9.55892,-7.89,-1.7,-6.813623033139139
O=c1[nH]c(Cc2cccc3ccccc23)nc2sc3c(c12)CCSC3,C54753477_decoy,GCR,Decoy,0,-11.2979,-5.95,-4.67,-5.23511585993937
C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2C(F)(F)F)C1,C56652483_decoy,GCR,Decoy,0,-7.98234,-8.07,-0.97,-7.750321169118024
CC1CCC(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1,C17722206_decoy,GCR,Decoy,0,-10.1003,-7.27,-0.48,-8.918729315553087
Oc1ccc(Br)cc1-c1nc2cc(Cl)ccc2n1C1CC1,C37441001_decoy,GCR,Decoy,0,-8.8831,-8.56,0.26,-7.77635204904048
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1cc(F)cc(Br)c1)C2,C58947894_decoy,GCR,Decoy,0,-9.50571,-4.87,-0.88,-5.3118304083753065
O=C(NCc1cc(F)cc(Br)c1)C12CC3CC(CC(C3)C1)C2,C59824956_decoy,GCR,Decoy,0,-9.61496,-5.61,-5.12,-4.87853888243971
O=C(c1c[nH]c2cc(Cl)ccc12)N1CCc2cc(Br)ccc21,C60372697_decoy,GCR,Decoy,0,-8.22497,-3.51,-0.45,-3.32658214155504
O=C(NC1CCCCCC1)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O,C04654437_decoy,GCR,Decoy,0,-9.57276,-4.19,-2.19,-4.274036769274677
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1,C08921353_decoy,GCR,Decoy,0,-12.7504,-3.06,-1.48,-5.059341243779879
COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O,C09258976_decoy,GCR,Decoy,0,-10.6573,-4.28,-2.08,-4.368259739154643
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2,C09298214_decoy,GCR,Decoy,0,-10.9406,-5.62,-4.74,-6.036105653742688
Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21,C09819950_decoy,GCR,Decoy,0,-10.7977,28.96,-4.4,5.86344084817524
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2cccc(Br)c2)n1,C11854391_decoy,GCR,Decoy,0,-10.7426,-3.85,-4.81,-4.766158580009717
O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc(Br)cc1Br,C12565516_decoy,GCR,Decoy,0,-10.9024,-6.09,-0.68,-5.742247052533007
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)c2ccccc21,C13567629_decoy,GCR,Decoy,0,-11.5697,-2.44,-4.18,-4.126545112963947
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c2ccccc21,C13567649_decoy,GCR,Decoy,0,-5.50073,-2.43,-2.26,-2.212645622696005
C[C@@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nnc(SCC(N)=O)n31,C02376946_decoy,GCR,Decoy,0,-8.158,-3.8,-3.2,-3.401372188431448
Cc1cc(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)nc(N)n1,C14748738_decoy,GCR,Decoy,0,-6.47087,-4.05,-3.03,-3.109719681485854
O=C(COc1ccc(Cl)cc1/C=C1\SC(=O)NC1=O)Nc1ccc(Cl)c(Cl)c1,C15056530_decoy,GCR,Decoy,0,-11.7772,-7.95,-2.58,-16.0302248632695
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1,C15723988_decoy,GCR,Decoy,0,-11.7623,-8.24,-1.18,-10.30763076403761
C[C@@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1cccc2c1CCCC2,C15726751_decoy,GCR,Decoy,0,-10.855,-5.35,-2.89,-5.597233675499406
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)C2=O)cc1Cl,C16225912_decoy,GCR,Decoy,0,-11.8533,-7.72,-1.68,-11.211879475247269
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(O)cc1,C16268433_decoy,GCR,Decoy,0,-10.9639,-4.12,-2.04,-4.66989091534149
C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O,C16462501_decoy,GCR,Decoy,0,-9.6763,-4.72,-2.17,-4.6981094391588485
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O)c1ccc(Cl)c(Cl)c1,C16463757_decoy,GCR,Decoy,0,-9.43247,-5.44,-4.82,-5.218833140727511
O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1,C16750276_decoy,GCR,Decoy,0,-8.76114,-2.55,-1.97,-3.4090713051751824
C[C@H](OC(=O)c1cc(Br)c(Br)s1)C(=O)NC(=O)NC1CCCC1,C16865983_decoy,GCR,Decoy,0,-11.2776,-6.9,-4.27,-7.71615638222927
O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccccc1Br,C17358731_decoy,GCR,Decoy,0,-6.37628,-3.62,-5.3,-3.001964138899893
O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)Nc1ccc(Br)cc1Br,C25390078_decoy,GCR,Decoy,0,-6.71212,-6.34,-1.22,-3.95237323994273
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1,C25781865_decoy,GCR,Decoy,0,-9.7151,-2.57,-4.71,-3.73985463822306
Cc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c(C)s1,C27550455_decoy,GCR,Decoy,0,-9.40154,-3.94,-2.22,-3.8148464343821855
NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1,C27993466_decoy,GCR,Decoy,0,-6.03037,-2.97,-1.37,-2.5365227211937844
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)c1ccc(O)c(O)c1,C28381366_decoy,GCR,Decoy,0,-10.855,-4.91,-4.53,-5.116106519077894
Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2nc(N)c3c(C)c(C)sc3n2)cs1,C31823028_decoy,GCR,Decoy,0,-11.0339,-5.51,-3.79,-6.505988188824831
O=C(N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(F)cc1,C35955566_decoy,GCR,Decoy,0,-7.55357,-2.0,-2.95,-3.15699500249252
O=C(NNC(=O)c1cc(Br)c(Br)s1)C1=NN=C(c2ccccc2)C1,C38743874_decoy,GCR,Decoy,0,-10.3925,-6.74,-1.82,-10.8110249078826
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)[C@@H]1C=C(c2ccc(Br)cc2)N=N1,C39015751_decoy,GCR,Decoy,0,-11.1497,-4.31,-1.47,-4.673470949929488
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1CCCN1c1cc(Nc2cccc(Br)c2)ncn1,C39300969_decoy,GCR,Decoy,0,-11.3412,-6.39,-0.88,-7.0553462813363765
C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(C#N)c(Cl)c1,C16801205_decoy,GCR,Decoy,0,-10.1823,-5.66,-3.67,-6.166380731170844
CCc1ccc([C@@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1,C40548837_decoy,GCR,Decoy,0,-6.78403,-4.15,-2.17,-3.5479176877271383
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccn4)[NH2+][C@](C(=O)[O-])(c4ccccc4)[C@@H]3C2=O)cc1Cl,C43218994_decoy,GCR,Decoy,0,-6.45484,-3.91,-3.62,-3.0381246412012373
C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@]2(C)Cc3sc(-c4c[nH]cn4)nc3[C@@H](C)[C@@H]2[C@@H]1O,C43549231_decoy,GCR,Decoy,0,-11.2341,-10.99,-0.68,-15.35543267880271
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,C44136278_decoy,GCR,Decoy,0,-11.4425,-4.15,-1.48,-4.43170295951278
O=C(CN1C(=O)N[C@@]2(CCSC2)C1=O)Nc1cc(Cl)ccc1Sc1ccc(F)cc1,C45632990_decoy,GCR,Decoy,0,-12.1586,-3.93,-3.8,-5.4881626127421965
CSCC[C@H]1N[C@]2(C(=O)Nc3c2ccc(C)c3C)[C@@H]2C(=O)N(C3CCCCCC3)C(=O)[C@@H]21,C15958622_decoy,GCR,Decoy,0,-7.87256,-3.32,-1.94,-3.1501866268793326
Cc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Br)cc2)N3)no1,C01069921_decoy,GCR,Decoy,0,-10.4698,-2.86,-0.3,-4.322785510559928
O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1C[C@@H]1CCCO1,C16750274_decoy,GCR,Decoy,0,-5.98065,-3.32,-2.28,-2.675602457018236
CSc1ccccc1NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F,C00646955_decoy,GCR,Decoy,0,-9.24906,-4.01,-2.24,-4.298482573134592
CSc1ccccc1NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F,C00646954_decoy,GCR,Decoy,0,-11.12,-6.94,-3.52,-10.390623292641603
Cc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C)cc2)C=3C(=O)N(C)C)cc1,C59293510_decoy,GCR,Decoy,0,-8.23304,-3.21,-5.33,-3.5733034442663527
N#Cc1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)sc2c1CCCC2,C13628119_decoy,GCR,Decoy,0,-9.0543,-4.01,-1.71,-4.490896500891896
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1,C13769626_decoy1,GCR,Decoy,0,-11.0089,-2.97,,-4.210754132682235
COc1ccc([C@@H]2C(C#N)=C(N)S[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1,C13769626_decoy2,GCR,Decoy,0,-11.8716,-2.95,,-4.2721414544496845
N#CC1=C(N)OC2=NN=C(c3ccc4c(c3)OCO4)[C@@H]2[C@H]1c1ccc(F)c(Br)c1,C00985160_decoy,GCR,Decoy,0,-10.3806,-3.25,-1.29,-3.531942992784813
Cc1cc(Br)c2c(c1)[C@]1(C(=O)N2C)C(C#N)=C(N)OC2=NN=C(c3ccccc3)[C@@H]21,C01123990_decoy,GCR,Decoy,0,-6.25532,-3.98,-1.05,-2.2359972059030166
O=C(NC1CCCCC1)c1ccc2c(=O)nc3n(c2c1)C(=S)S[C@@H]3C(=O)NC1CCCC1,C63704776_decoy,GCR,Decoy,0,-12.0589,-5.34,-2.37,-6.111369867474095
CC(C)NC(=O)[C@@H]1SC(=S)n2c1nc(=O)c1ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc12,C63704871_decoy,GCR,Decoy,0,-10.9997,10.69,-4.1,-0.1067863316210838
CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c12)CC[NH+](C)C3,C04335572_decoy,GCR,Decoy,0,-10.9222,-3.3,-2.8,-4.917103348633119
CCN(CC)[P@@]1(=S)C2=C([NH+]3CCCCC3)CC(C)(C)C=C2NN1c1ccccc1,C03205651_decoy,GCR,Decoy,0,-8.73237,-2.88,-2.28,-3.7606927879902425
C=CCc1cccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1O,C01803083_decoy,GCR,Decoy,0,-10.7895,-5.51,-2.53,-5.576877744282644
O=C(c1ccc(Cl)cc1)[C@H]1C[NH+](Cc2ccco2)CC[C@@]1(O)c1ccc(Cl)cc1,C12564951_decoy,GCR,Decoy,0,-10.4465,-4.07,-3.11,-4.914035929246062
O=C(C[NH+]1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl,C12921532_decoy,GCR,Decoy,0,-12.2474,-5.02,-4.96,-6.073160986180267
S=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC2=C[C@@H]3C[C@@H](C[NH+]4CCCC[C@@H]34)[C@H]21,C16032706_decoy,GCR,Decoy,0,-12.7052,-10.3,-1.6,-15.766170407666138
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1,C20436391_decoy,GCR,Decoy,0,-11.8617,-3.84,-3.82,-5.199055770389547
C[NH+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(Cl)s1,C22062441_decoy,GCR,Decoy,0,-10.2535,-5.48,-2.18,-9.634214189449022
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCC[NH+](Cc2ccccc2F)C1,C30945600_decoy,GCR,Decoy,0,-10.1799,-3.35,-2.49,-4.538081024074374
CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C,C34991633_decoy,GCR,Decoy,0,-10.2206,-7.16,-3.08,-8.79096319239402
CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1OC,C35256923_decoy,GCR,Decoy,0,-10.39,-7.39,-3.7,-11.25354806412162
CC[NH2+][C@@H](c1cc(Br)sc1Br)[C@H]1Cc2ccccc2O1,C35560306_decoy,GCR,Decoy,0,-9.87944,-3.11,0.01,-4.083896487463134
CC[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)c1ccccc1I,C35570866_decoy,GCR,Decoy,0,-9.18636,-3.41,-0.4,-4.267828747537162
CCC[NH2+][C@@H](c1ccc(C)o1)c1cc(Br)sc1Br,C35585679_decoy,GCR,Decoy,0,-9.16369,-6.32,-1.68,-10.05819093968702
CCC[NH2+][C@H](c1cc(Br)sc1Br)[C@@H]1Cc2ccccc2O1,C35585884_decoy,GCR,Decoy,0,-10.2824,-6.81,-0.3,-15.141368045763205
C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1c(Br)cc(Br)cc1Br,C36908485_decoy,GCR,Decoy,0,-10.9803,-7.48,-0.53,-10.31498839211054
Cc1cc(C)c([C@H](C)Nc2ccc(Br)cc2Br)c(C)[nH+]1,C37278863_decoy,GCR,Decoy,0,-9.64969,-7.16,-1.57,-10.37403100271622
Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1I,C37296668_decoy,GCR,Decoy,0,-9.10723,6.81,-0.11,-0.7315851389771028
COc1ccc([C@H](C)[NH2+][C@H](C)c2sccc2Br)cc1Br,C37313926_decoy,GCR,Decoy,0,-9.67873,-7.31,-1.9,-13.402548345577124
C[C@H]([NH2+][C@H](C)c1ccc(I)cc1)c1cccc([N+](=O)[O-])c1,C37775576_decoy,GCR,Decoy,0,-8.41314,-7.3,-0.66,-7.982696810310944
C=C(C)COc1ccc([C@H]2[NH+]=NC(C)=C2c2ccc(Br)cc2)c(O)c1,C38768009_decoy,GCR,Decoy,0,-10.1609,-4.09,-0.85,-5.21314889306498
O=C1c2ccccc2N[C@H](/C=C/C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,C39030293_decoy,GCR,Decoy,0,-6.44275,-5.18,-3.19,-3.301296594545281
CC(C)Oc1c(Br)cc(C[NH2+]C2CCCC2)cc1Br,C40721096_decoy,GCR,Decoy,0,-10.0019,-6.61,-3.89,-9.871671744137933
O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cc2cccc(Cl)c2o1,C41331668_decoy,GCR,Decoy,0,-10.6194,-7.15,-2.47,-10.647962426585028
C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1Br)c1ccc(C#N)cc1,C41648962_decoy,GCR,Decoy,0,-9.84153,-8.28,-0.77,-8.882760822289303
FC(F)(F)c1nn(-c2ccccc2)c2c1C[NH2+]C/C2=C\c1ccc(Cl)cc1,C43464055_decoy,GCR,Decoy,0,-9.95354,-2.63,-0.55,-3.509107578214548
COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)c1ccc(C)s1,C49160430_decoy,GCR,Decoy,0,-10.7961,-7.08,-2.08,-11.02252074282784
C[C@@H]([NH2+]Cc1cc(Br)c(Br)o1)c1cccc2ccccc12,C50358861_decoy,GCR,Decoy,0,-9.82542,-8.33,-1.8,-8.943464897566765
CCC[NH2+][C@H](C)c1sc(-c2cc(Br)c(Br)o2)nc1C,C50359175_decoy,GCR,Decoy,0,-10.0893,-2.43,-2.23,-4.25747191636341
CC(C)[C@@H]([NH2+]Cc1cc(Br)c(Br)o1)c1cccs1,C50360138_decoy,GCR,Decoy,0,-9.46397,-6.59,-1.33,-12.090996967126744
C[NH2+]Cc1cc(Br)cnc1Oc1cc(Cl)c(Cl)cc1Cl,C51545223_decoy,GCR,Decoy,0,-10.4659,-2.57,-2.4,-3.884043416123823
C[NH2+][C@@H](c1cc(C)ccc1OC)c1cc(Br)sc1Br,C52943535_decoy,GCR,Decoy,0,-9.58228,-6.72,-0.62,-10.811886912099972
C[C@@H](C[NH2+]C(C)(C)C)Oc1c(Br)cc(Br)c2cccnc12,C53587507_decoy,GCR,Decoy,0,-9.49661,-7.46,-4.01,-10.18347389232398
CC(C)CCN1C(=O)[C@]2(NCCC3=c4ccccc4=[NH+][C@@H]32)c2cc(Br)ccc21,C63385551_decoy,GCR,Decoy,0,-9.74666,-3.1,-2.61,-3.6735913333493087
O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1[NH+]=c2ccc(Cl)cc2=C1c1ccccc1,C63426647_decoy,GCR,Decoy,0,-9.99168,-3.26,-1.3,-4.063761819541238
Cc1cc(C)cc(NC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3F)C2)c1,C63506538_decoy,GCR,Decoy,0,-8.59135,-3.09,-1.66,-3.5656155664210365
O=C(Nc1ccccc1Cl)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccccc1F,C63571104_decoy,GCR,Decoy,0,-10.023,-3.69,-2.73,-3.986463587526184
Cc1c(Cl)cccc1NC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccc1F,C63571208_decoy,GCR,Decoy,0,-10.6987,-4.06,-1.32,-4.956358904191835
O=C(Nc1ccc(F)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccccc1F,C63571266_decoy,GCR,Decoy,0,-8.94779,-3.86,-0.75,-4.086244050207432
Cc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2ccc(C)c(Cl)c2)cc1,C63571446_decoy,GCR,Decoy,0,-9.89605,-3.28,-4.03,-4.231991728320462
O=C(Nc1ccccc1Cl)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63571697_decoy,GCR,Decoy,0,-6.69857,-2.36,-2.21,-2.793300456572477
CCc1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@@H]1c1ccc(F)cc1,C63572526_decoy,GCR,Decoy,0,-6.27885,-3.78,-4.23,-2.8904480859986244
O=C(Nc1ccc(F)cc1F)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63572660_decoy,GCR,Decoy,0,-9.67928,3.18,-4.36,-2.158894513492546
O=C(Nc1ccc(F)cc1F)N1CCC2=c3cc(Cl)ccc3=[NH+][C@H]2[C@@H]1c1ccc(F)cc1,C63572667_decoy,GCR,Decoy,0,-10.5517,-3.5,-2.06,-4.24613683038541
O=S(=O)(Nc1ccc([C@@H]2C=c3cc(Cl)ccc3=[NH+]2)cc1)c1ccc(F)c(F)c1,C63627383_decoy,GCR,Decoy,0,-10.1455,-4.95,-2.56,-5.814181173580416
O=S(=O)(Nc1ccc([C@H]2C=c3cc(Cl)ccc3=[NH+]2)cc1)c1ccc(F)c(F)c1,C63627385_decoy,GCR,Decoy,0,-10.0565,-7.72,-3.84,-7.552439581044495
Cc1ccc(C)c(S(=O)(=O)Nc2ccc([C@@H]3C=c4cc(F)ccc4=[NH+]3)cc2)c1,C63627447_decoy,GCR,Decoy,0,-10.2768,-5.24,-3.11,-4.896002589552067
O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\C1=c2ccccc2=[NH+]C1,C38802786_decoy,GCR,Decoy,0,-8.96195,11.08,-1.51,0.6008709626487332
Cc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2ccccc2F)cc1,C64622911_decoy,GCR,Decoy,0,-10.2248,-4.83,-2.34,-4.90418644781761
O=C(Nc1ccc(F)cc1)N1CCC2=c3ccccc3=[NH+][C@H]2[C@H]1c1ccc(F)cc1,C64622963_decoy,GCR,Decoy,0,-8.58098,-3.26,-0.67,-3.818010118972536
O=c1c2ccccc2c(=O)c2c1c(O)cc1sc3ccccc3[nH]c12,C03898658_decoy,GCR,Decoy,0,-10.0783,-2.8,-1.63,-2.384068185171564
O=C(Nc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1,C02873396_decoy,GCR,Decoy,0,-9.48426,0.95,-2.51,-2.8716866536620858
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1cc2ccccc2cc1O,C02765452_decoy,GCR,Decoy,0,-7.68437,-8.71,-1.49,-5.657019848535571
Cc1ccc(Nc2c(-c3ccc(O)cc3)nc3sccn23)c(C)c1,C04734348_decoy,GCR,Decoy,0,-8.41813,-5.0,-2.99,-4.26359449801562
O=C(N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc12)c1ccccc1,C02870198_decoy,GCR,Decoy,0,-10.3318,-5.19,-3.12,-5.235489023411482
C[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C#N)C1,C01200941_decoy,GCR,Decoy,0,-10.3048,-3.11,-5.9,-4.194116601332006
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)cc1,C05376352_decoy,GCR,Decoy,0,-9.27856,-8.6,-1.37,-7.215201328186916
CC1=CC[C@H](C[C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)C1(C)C,C05482570_decoy,GCR,Decoy,0,-9.12521,-3.03,-1.46,-3.293200347758233
Nc1ccc2nc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2c1,C01113605_decoy,GCR,Decoy,0,-9.07138,-9.03,-1.49,-9.937945514533878
O=C(Nc1ccccc1Sc1ccccc1)Nc1cccc2ccccc12,C06864415_decoy,GCR,Decoy,0,-9.66703,-9.69,-3.86,-10.14941557238285
Oc1c([C@H](Nc2cccc3ccccc23)c2ccccc2)ccc2cccnc12,C08617646_decoy,GCR,Decoy,0,-9.56112,-8.69,-3.51,-8.91276385947357
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1Cl,C01106587_decoy,GCR,Decoy,0,-9.87561,-3.72,-1.8,-4.411240973129027
Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Cl)cn23)cc1,C00427580_decoy,GCR,Decoy,0,-9.08199,-5.2,-2.91,-4.6116952286962825
Oc1c([C@@H](Nc2ccc(Cl)cc2)c2cccs2)ccc2cccnc12,C05394944_decoy,GCR,Decoy,0,-10.0896,-8.32,-1.23,-8.386264571139566
Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc(Cl)cc1,C04733550_decoy,GCR,Decoy,0,-9.73376,-4.49,-2.92,-4.185877991751462
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2,C14456812_decoy,GCR,Decoy,0,-9.44628,-3.2,-0.97,-4.287973696876873
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1,C14463482_decoy,GCR,Decoy,0,-11.4728,0.98,-2.03,-4.267001733594664
C=C(C)COc1cccc2c1N[C@@H](c1c(O)ccc3ccccc13)[C@H]1CC=C[C@H]21,C14548189_decoy,GCR,Decoy,0,-10.8156,-10.97,-3.18,-17.97186587428653
CSc1ccc([C@H]2Nc3ccc(Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1,C14551773_decoy,GCR,Decoy,0,-11.008,-3.95,-4.07,-4.674746275762235
CC(C)Cc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1,C01192419_decoy,GCR,Decoy,0,-10.0211,3.7,-0.43,-2.180851981860247
Cc1ccc(/N=C2/NC(=O)/C(=C/C(Cl)=C/c3ccccc3)S2)c(O)c1,C16937291_decoy,GCR,Decoy,0,-10.0868,-9.41,-0.66,-7.11110817451794
O=C(N/N=C\c1c(O)ccc2ccccc12)c1sc2ccccc2c1Cl,C17077874_decoy,GCR,Decoy,0,-10.2585,-5.68,-4.82,-5.141189708835246
CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)s1,C19757654_decoy,GCR,Decoy,0,-9.49529,9.36,-2.34,-0.044209655633434
CC[C@H](Nc1ccc(Br)cc1C)c1cc(Br)ccc1O,C19996988_decoy,GCR,Decoy,0,-9.75205,-7.62,-0.75,-8.520282347439824
Oc1ccccc1-c1nc(Nc2ccccc2Cl)c2ccccc2n1,C17179915_decoy,GCR,Decoy,0,-9.39051,-4.56,-2.99,-4.393578198895486
Cc1ccc(Nc2nc(-c3ccccc3O)nc3ccccc23)cc1C,C17196265_decoy,GCR,Decoy,0,-9.16355,-3.99,-2.04,-3.850637856190649
CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(O)ccc3ccccc13)N2,C20751503_decoy,GCR,Decoy,0,-10.0254,-3.17,-0.0,-3.681525919788137
Cc1cc(C)c(NCC(=O)NC2(C#N)CCCCCC2)c(Cl)c1,C32906665_decoy,GCR,Decoy,0,-9.35812,-7.51,-0.86,-12.261952266791647
CNc1nc(Nc2cccc3ccccc23)c2c3c(sc2n1)CCC3,C34733896_decoy,GCR,Decoy,0,-10.2009,-3.68,-2.68,-4.282464256500624
CNc1nc(NC2CCCCC2)c2c(-c3ccccc3)csc2n1,C34734080_decoy,GCR,Decoy,0,-10.8536,-3.03,-2.78,-4.5472321708214825
C[C@@H](CCCO)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C36378898_decoy,GCR,Decoy,0,-12.5386,-10.25,-0.71,-11.017039752072955
CC[C@@H](Nc1ccc(Cl)c(C#N)c1)c1cc(Br)ccc1O,C36973351_decoy,GCR,Decoy,0,-10.5203,-8.49,-0.96,-7.614139415212469
Fc1ccccc1/C=C1\CCCC2=C1NC(=S)N[C@@H]2c1ccccc1F,C13519995_decoy,GCR,Decoy,0,-9.97662,-4.33,-3.32,-3.930135233955065
Nc1nc(SCc2ccc(Cl)cc2)nc2nc3c(cc12)CCCC3,C01428216_decoy,GCR,Decoy,0,-9.81953,-4.65,-4.29,-4.532333400542613
Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2)nc2sccn12,C03909978_decoy,GCR,Decoy,0,-9.31449,-8.79,-2.27,-8.296779936677986
CO[C@H]1CCC[C@@]2(CCC[C@H](c3ccccc3O)N2c2ccccc2O)C1,C39521185_decoy,GCR,Decoy,0,-9.42631,-3.11,-1.42,-3.543001834563453
O=C(c1ccccc1C1(O)CCCCC1)c1ccccc1C1(O)CCCCC1,C40448412_decoy,GCR,Decoy,0,-10.6048,-3.74,-4.93,-4.37322018862336
Clc1ccccc1Nc1nc(NC2CCCC2)c2ccccc2n1,C41152058_decoy,GCR,Decoy,0,-9.0841,-8.79,-1.6,-9.473862388708785
Oc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1,C05023928_decoy,GCR,Decoy,0,-10.9066,-8.74,-2.19,-8.220408990716384
Cc1ccc(/C(N)=N/c2sc(-c3ccc(C)cc3)nc2-c2cccs2)cc1,C53994130_decoy,GCR,Decoy,0,-7.94065,-2.38,-5.47,-3.1391045483952813
Oc1c([C@@H](Nc2ccccc2Cl)c2ccccc2)ccc2cccnc12,C54619065_decoy,GCR,Decoy,0,-8.89173,-4.25,-3.32,-4.317762121446115
Cc1ccc2ccc([C@@H](Nc3ccc(C)c(C)c3)c3ccccc3)c(O)c2n1,C54621292_decoy,GCR,Decoy,0,-8.17873,-4.25,-2.44,-3.914399799090863
CC(C)(C)c1ccc(O)c(/N=C2/C(=O)Nc3ccc(Br)cc32)c1,C01957420_decoy,GCR,Decoy,0,-9.90185,-2.29,-0.99,-3.573727168970749
Cc1ccc2nc(-c3ccc(/N=C\c4ccc(O)cc4O)cc3)sc2c1,C01233787_decoy,GCR,Decoy,0,-10.3079,-1.91,-0.89,-3.170272576230189
C(=N\Nc1nc2ccccc2[nH]1)\c1c2ccccc2cc2ccccc12,C50705007_decoy,GCR,Decoy,0,-9.55697,-9.5,-3.47,-8.472416517153755
Cc1cc(O)c(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1C,C03050844_decoy,GCR,Decoy,0,-11.391,-2.13,-3.95,-5.21456304346411
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)cc1,C33323576_decoy,GCR,Decoy,0,-9.71199,-4.52,-1.38,-3.960873796871477
Cc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)c(C)c1,C19954763_decoy,GCR,Decoy,0,-10.0254,-7.37,-0.94,-8.114322067213584
Cc1cc(C)c2c(c1)sc1c(NC(=O)Nc3ccccc3)snc12,C65009708_decoy,GCR,Decoy,0,-8.87163,35.07,-3.91,8.501156314971515
O=C(CNc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1,C66210043_decoy,GCR,Decoy,0,-11.0313,-7.89,-0.74,-9.30526222257823
C[C@@H]1CCc2sc(NC(=O)c3ccc(Br)s3)c(C#N)c2C1,C04070209_decoy,GCR,Decoy,0,-10.8904,-2.44,,99.0
OC1c2cc(I)ccc2-c2ccc(I)cc21,C04552085_decoy,GCR,Decoy,0,-9.84151,-2.19,-2.87,-2.4417964009219064
O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)Nc1c2ccc2ncccc12,C01440567_decoy,GCR,Decoy,0,-10.9469,-4.74,-0.68,-3.9852669171059545
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(F)c1,C01135860_decoy,GCR,Decoy,0,-10.645,-9.17,-0.15,-10.316524454851184
C[C@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C#N)C1,C02737313_decoy,GCR,Decoy,0,-11.3575,-1.82,-5.78,-3.666719842957741
O=C(Nc1ccc(F)c(F)c1)c1cc(Br)c(Br)s1,C06480340_decoy,GCR,Decoy,0,-9.28711,-7.82,-0.52,-7.342676027727994
O=C(/C=C/c1cc(Br)ccc1F)N1CCc2[nH]c3ccccc3c2C1,C09901254_decoy,GCR,Decoy,0,-9.42056,-3.53,-0.72,-4.13795270329856
O=C(Nc1cc(F)ccc1F)c1cc(Br)c(Br)s1,C12772540_decoy,GCR,Decoy,0,-9.55005,-7.82,-2.46,-6.817103602076202
Cc1cccc([C@@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1,C14480308_decoy,GCR,Decoy,0,-10.8866,-4.75,-2.81,-4.884267347149466
Ic1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2,C14548467_decoy,GCR,Decoy,0,-10.1134,-6.85,0.6,-6.763448579915554
Ic1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccs1)N2,C14548469_decoy,GCR,Decoy,0,-9.20688,-7.84,-2.2,-8.612873857251369
Clc1cc(I)cc2[nH]nc(I)c12,C14984043_decoy,GCR,Decoy,0,-7.92327,-5.03,0.04,-2.467834260880248
Clc1cc(I)c2c(I)n[nH]c2c1,C14984054_decoy,GCR,Decoy,0,-7.98929,-6.16,-0.06,-2.954228399294104
Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)cc1Cl,C08269649_decoy,GCR,Decoy,0,-11.345,-4.24,-0.92,-4.17327658716231
O=C(Nc1nc2ccc(F)cc2s1)c1ccc(I)cc1,C22024768_decoy,GCR,Decoy,0,-9.54582,-4.34,-0.96,-4.401694496892008
C[C@H]1CCC[C@@H](NC(=O)c2cc(Br)c(Br)s2)C1,C32030987_decoy,GCR,Decoy,0,-10.2271,-5.2,-0.47,-9.144438744609236
Ic1cccc(/N=C2\NC[C@@H](c3ccccc3)S2)c1,C35286957_decoy,GCR,Decoy,0,-8.39845,-8.3,-0.15,-6.325986827633302
Ic1cccc(/N=C2\NC[C@H](c3ccccc3)S2)c1,C35286959_decoy,GCR,Decoy,0,-9.78803,-3.12,-1.5,-3.557975606693548
O=c1c2ccsc2[nH]c(=S)n1-c1c(Cl)cc(Br)cc1Cl,C35698054_decoy,GCR,Decoy,0,-10.4506,-3.83,-0.76,-4.021098398131029
S=c1[nH]c2cc(Cl)ccc2n1-c1cccc(I)c1,C36889849_decoy,GCR,Decoy,0,-9.64348,-7.35,-0.33,-6.954891537115939
S=c1[nH]c2cc(Cl)ccc2n1-c1ccccc1I,C36889853_decoy,GCR,Decoy,0,-8.48252,-8.01,-0.43,-6.165556864490313
S=c1[nH]c2cccc(Cl)c2n1-c1ccccc1I,C36898064_decoy,GCR,Decoy,0,-8.8959,-7.88,-0.92,-9.377468286508275
Fc1cccc2c1SCC[C@@H]2Nc1cc(Br)ccc1Br,C37314778_decoy,GCR,Decoy,0,-10.3395,-8.41,-0.56,-10.78484526226912
O[C@H](c1ccc(Br)cc1)c1ccccc1I,C40243351_decoy,GCR,Decoy,0,-7.25133,-7.28,-0.75,-5.7558508517444364
O[C@@H](c1ccc(Br)cc1)c1ccccc1I,C40243352_decoy,GCR,Decoy,0,-7.95619,-7.26,-0.54,-6.821883650268538
O[C@H](c1ccc(Br)cc1)c1cccc(I)c1,C40243425_decoy,GCR,Decoy,0,-9.3032,-7.29,-0.57,-7.17242950603346
O[C@@H](c1ccc(Br)cc1)c1cccc(I)c1,C40243426_decoy,GCR,Decoy,0,-8.55979,-6.73,-0.73,-6.134722114766117
O[C@H](c1cc(Br)ccc1Br)c1c(F)c(F)c(F)c(F)c1F,C40245416_decoy,GCR,Decoy,0,-9.24683,-8.66,-1.89,-12.6799570979754
O[C@H](c1ccc(Cl)cc1)c1cc(Br)sc1Br,C40260974_decoy,GCR,Decoy,0,-8.80098,-6.71,-1.06,-6.716639053460025
O[C@@H](c1cc(F)ccc1Br)c1cc(Br)sc1Br,C40260977_decoy,GCR,Decoy,0,-10.112,-6.5,-2.69,-7.781946227091639
O[C@@H](c1ccc(Br)cc1)c1cc(Br)sc1Br,C40260983_decoy,GCR,Decoy,0,-10.5681,-5.84,-0.62,-7.6526668088247165
O[C@@H](c1cc(Br)sc1Br)c1c(F)cccc1F,C40261046_decoy,GCR,Decoy,0,-9.59202,-6.94,-0.34,-10.153483498643764
O[C@H](c1ccccc1Br)c1cc(Br)sc1Br,C40261128_decoy,GCR,Decoy,0,-10.6008,-6.63,-0.69,-10.02464876061635
O[C@@H](c1cc(Br)sc1Br)c1c(F)c(F)c(F)c(F)c1F,C40261197_decoy,GCR,Decoy,0,-10.1488,-7.76,-0.25,-9.309172628746351
O[C@@H](c1cccc(I)c1)c1ccc(Br)s1,C40265065_decoy,GCR,Decoy,0,-9.32215,-6.34,-0.32,-6.946257492133912
O[C@@H](c1ccc(I)cc1)c1ccc(Br)s1,C40265071_decoy,GCR,Decoy,0,-9.23271,-6.63,-0.75,-6.08726120473476
O=C1Cc2cc([C@@H](Cl)c3cc(Br)ccc3F)c(Cl)cc2N1,C40276535_decoy,GCR,Decoy,0,-9.69003,-8.3,-4.7,-7.420563171772016
O=C1Cc2cc([C@H](Cl)c3ccc(Br)cc3F)c(Cl)cc2N1,C40276549_decoy,GCR,Decoy,0,-9.70654,-8.97,-1.55,-7.977409323405807
O=C1CCc2cc([C@@H](Br)c3ccc(Br)cc3)ccc2N1,C40283129_decoy,GCR,Decoy,0,-10.3427,-8.53,-2.6,-8.0528392282611
O=C1Cc2cc([C@@H](Br)c3cc4c(s3)CCC4)c(Cl)cc2N1,C40289628_decoy,GCR,Decoy,0,-10.1613,-8.33,-0.98,-7.836487082300014
O=C(N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21)c1ccccc1I,C42352706_decoy,GCR,Decoy,0,-8.34116,-3.48,-1.01,-3.52366615418553
O=C(Nc1cc(Br)ccc1F)c1ccc(Br)c(F)c1,C43579236_decoy,GCR,Decoy,0,-8.36509,-6.79,-1.05,-4.92819894741133
C[C@@H]1CCCN(C(=O)Nc2ccc(I)cc2Cl)C1,C44082648_decoy,GCR,Decoy,0,-8.26445,-1.95,-2.01,-2.664449043906696
CC(C)[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1Br,C49130798_decoy,GCR,Decoy,0,-9.28707,-8.12,-0.85,-13.944627831624627
CC(C)[C@@H]1CCCN1C(=O)Nc1cc(Br)ccc1Br,C49133628_decoy,GCR,Decoy,0,-8.78916,-8.35,-1.01,-8.521535389691234
O[C@H](c1cc(Br)ccc1Br)c1cccc(F)c1F,C54213487_decoy,GCR,Decoy,0,-8.94501,-7.53,-0.47,-7.667070487175209
[H]/N=C1\S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N1c1ccccc1,C15052945_decoy,GCR,Decoy,0,-10.2013,-4.73,-4.07,-4.297851914232405
O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1c1ccc(Cl)cc1,C59396629_decoy,GCR,Decoy,0,-11.5545,-8.43,-0.26,-7.666565460255191
O[C@@H](c1cc(Br)ccc1Br)c1cccc2ncccc12,C61416819_decoy,GCR,Decoy,0,-10.327,-8.74,-1.17,-10.5804845834354
Cc1ccc(F)cc1[C@@H](O)c1cc(Br)sc1Br,C62666140_decoy,GCR,Decoy,0,-9.77253,-6.96,-0.65,-8.444896519875762
O=C(/C=C/c1cccs1)Nc1ccccc1I,C02708264_decoy,GCR,Decoy,0,-8.23527,-6.91,-0.8,-8.931609990139274
O=[P@]1(c2ccccc2)CCc2[nH]c3ccc(Br)cc3c2C1,C06575790_decoy,GCR,Decoy,0,-8.35522,-4.17,-1.34,-3.2295131718149457
Fc1ccc(CSC2=N[C@@H]3CCCC[C@H]3N2)c(Br)c1,C11171313_decoy,GCR,Decoy,0,-9.761,-7.28,-5.64,-6.540299113115144
C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1cccs1,C12784913_decoy,GCR,Decoy,0,-9.72558,-7.35,-2.27,-7.459294821154761
N#Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21,C14477458_decoy,GCR,Decoy,0,-9.78793,-9.88,-1.41,-7.586838355772392
Clc1cc(Br)c2c(I)n[nH]c2c1,C14984064_decoy,GCR,Decoy,0,-7.92807,-5.8,-0.12,-2.824389295405705
C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Br)cc1,C20025660_decoy,GCR,Decoy,0,-8.34616,-6.47,-0.73,-5.958484090742092
Ic1cccc(NCc2cccc3cccnc23)c1,C20362972_decoy,GCR,Decoy,0,-8.26423,-6.83,-0.38,-6.099898342396184
Cc1cc([C@@H](C)Nc2ccc(I)cc2)c(C)o1,C20477017_decoy,GCR,Decoy,0,-7.64932,-7.16,-0.75,-9.3507026542739
Cc1cc(Br)c(NCc2ccco2)c(Br)c1,C20487566_decoy,GCR,Decoy,0,-8.77185,-7.22,-1.37,-10.13839180988468
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(Br)c1,C29822815_decoy,GCR,Decoy,0,-8.5278,-7.67,-0.75,-10.411611818785476
C[C@@H]1CCC[C@@H](NC(=O)c2cccc(I)c2)C1,C32031961_decoy,GCR,Decoy,0,-7.57417,-6.81,-3.02,-6.1628847651384895
C[C@@H]1CCC[C@H](NC(=O)c2cccc(I)c2)C1,C32031965_decoy,GCR,Decoy,0,-8.40346,-7.46,-4.99,-7.422142337412217
C[C@@H]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(I)cc2)C1,C32109872_decoy,GCR,Decoy,0,-8.16679,-2.66,-1.67,-3.5189104847656245
CCC(C)(C)NC(=O)c1cc(Br)c(Br)s1,C32963812_decoy,GCR,Decoy,0,-8.68147,-5.51,-0.86,-5.4451656241884585
C[C@H](NC(=O)c1cc(Br)ccc1F)c1ccc(F)c(F)c1,C32983573_decoy,GCR,Decoy,0,-8.77079,-8.15,-1.13,-6.600582027141427
C[C@H](O)c1c(F)cccc1Oc1ccccc1I,C35632624_decoy,GCR,Decoy,0,-8.16536,-7.1,-1.88,-7.670639192714469
O=C(Nc1cc(Br)ccc1F)c1ccc(CCl)cc1,C36752198_decoy,GCR,Decoy,0,-8.012,-6.59,-1.27,-4.91387788666846
S=c1[nH]c2cc(Cl)ccc2n1-c1ccc(Br)cc1,C36889942_decoy,GCR,Decoy,0,-8.34982,-5.55,-0.71,-5.819013799171209
Cc1nc2ccc(NCc3cc(Br)ccc3F)cc2s1,C36956007_decoy,GCR,Decoy,0,-9.75724,-8.23,-0.45,-8.322720864643156
C[C@@H](Nc1ccc(Br)cc1Br)c1ccccn1,C36956831_decoy,GCR,Decoy,0,-9.03024,-6.56,-1.72,-6.410041326721592
Cc1ccc(Br)cc1NC(=O)[C@@H](Br)C(C)C,C37013348_decoy,GCR,Decoy,0,-7.99382,-6.62,-1.88,-5.6421281846318045
Cc1ncsc1[C@@H](C)Nc1ccc(I)cc1,C37247750_decoy,GCR,Decoy,0,-8.78815,-6.54,-0.69,-7.370498999293209
O=C(Nc1ccc(Br)cc1F)c1ccc(CCl)cc1,C37343026_decoy,GCR,Decoy,0,-8.11801,-3.94,-0.75,-3.869236294670543
Fc1cc(F)c(NCc2ccc3ncccc3c2)c(Br)c1,C37392933_decoy,GCR,Decoy,0,-8.37473,-8.8,-0.87,-7.847122758763345
Fc1ccc(Br)cc1-n1c(=S)[nH]c2c(F)cccc21,C37422858_decoy,GCR,Decoy,0,-9.12508,-8.37,-0.22,-6.353275513506782
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1Br,C37497610_decoy,GCR,Decoy,0,-8.28527,-7.97,-0.68,-6.574767958915153
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1,C37497615_decoy,GCR,Decoy,0,-6.76505,-3.28,-0.48,-3.297281084369538
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Br)cc1,C37497616_decoy,GCR,Decoy,0,-7.5349,-3.45,-0.49,-3.5691004375836552
Clc1ccc(Cl)c(/N=C2\NC[C@H](CBr)S2)c1,C00292376_decoy,GCR,Decoy,0,-9.48789,-6.36,-0.98,-7.154571091887362
CC(C)[C@@H](C)NC(=O)c1cc(Br)c(Br)s1,C17054521_decoy,GCR,Decoy,0,-8.45559,-6.02,-0.9,-7.3379530042897425
CS[C@H]1CCCN(Br)[C@@]12CC[C@H](c1ccccc1O)C2,C39510616_decoy,GCR,Decoy,0,-9.26747,-8.41,-0.8,-7.897065572926875
CS[C@@H]1CC[C@]2(C1)[C@H](Br)CCCN2c1ccccc1O,C39511382_decoy,GCR,Decoy,0,-7.01441,-6.54,-1.21,-7.22822865318895
CS[C@H]1CCCN(c2ccccc2O)[C@@]12CC[C@H](Br)C2,C39512731_decoy,GCR,Decoy,0,-10.8746,-2.88,-2.33,-3.936094067100905
O=C1Cc2cc([C@@H](Cl)c3cc(Br)ccc3F)ccc2N1,C40271661_decoy,GCR,Decoy,0,-9.8046,-8.22,-2.37,-9.73192315646953
Cc1ccc([C@H](Br)c2cc3c(cc2Cl)NC(=O)C3)s1,C40289630_decoy,GCR,Decoy,0,-9.10537,-7.91,-0.66,-6.900913114057462
Cc1ccc([C@@H](Br)c2cc3c(cc2Cl)NC(=O)C3)s1,C40289631_decoy,GCR,Decoy,0,-8.60701,-8.29,-1.77,-9.74031526775495
Clc1c(Br)ccc2[nH]nc(I)c12,C43220608_decoy,GCR,Decoy,0,-6.86396,-5.5,-0.34,-2.5818817084076287
C[C@@H](NC(=O)c1ccc(Br)c(F)c1)c1ccccc1F,C43579468_decoy,GCR,Decoy,0,-7.64388,-7.92,-0.74,-6.800704632861925
Cc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Br,C45188316_decoy,GCR,Decoy,0,-8.54668,-3.63,-3.99,-3.3159551356211723
Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2F)s1,C48732113_decoy,GCR,Decoy,0,-9.13669,24.84,-0.62,5.6738083009406095
Cc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2F)s1,C48732122_decoy,GCR,Decoy,0,-9.19868,-7.29,-0.5,-7.521188402047999
Ic1ccc(CN[C@@H]2CCc3ccccc3C2)o1,C51630862_decoy,GCR,Decoy,0,-9.06968,-6.65,-0.57,-6.403891782556272
C[C@H](O)c1ccc(-c2ccc(Br)cc2Br)o1,C52924849_decoy,GCR,Decoy,0,-8.39278,-7.66,-0.99,-6.311831529352319
C[C@@H](O)c1ccc(-c2ccc(Br)cc2Br)o1,C52924850_decoy,GCR,Decoy,0,-8.43703,-7.41,-0.28,-7.315124782532161
Brc1ccc(NCC2CCOCC2)c(Br)c1,C52172391_decoy,GCR,Decoy,0,-8.80653,-3.68,0.03,-3.984095922218976
OCc1cc(F)c(Oc2ccc(I)cc2)c(F)c1,C62722625_decoy,GCR,Decoy,0,-8.14315,-8.17,-0.74,-7.672238978704535
Cl[C@@H](c1ccn[nH]1)c1cc(Br)ccc1Br,C62778887_decoy,GCR,Decoy,0,-8.61973,-7.08,-5.35,-8.124980836976963
Cl[C@@H](c1ccn[nH]1)c1cc(Br)sc1Br,C62779098_decoy,GCR,Decoy,0,-8.79852,-5.78,0.12,-8.337989707871209
C[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1Br,C63010714_decoy,GCR,Decoy,0,-8.11715,-7.74,-0.26,-6.854833525383546
S=c1[nH]c(-c2ccc(Cl)cc2)cn1-c1ccccc1Br,C02957783_decoy,GCR,Decoy,0,-9.17159,-1.39,-0.7,-3.0673830329235514
O[C@H]1c2cc(Br)ccc2-c2c(F)cc(Br)cc21,C01692048_decoy,GCR,Decoy,0,-8.72763,-5.2,-0.29,-2.732827064623116
O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)s1,C05554964_decoy,GCR,Decoy,0,-11.7572,-7.93,-0.88,-8.15643100758636
O[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@](c1ccccc1)([C@@H]42)[C@@H]5I,C03182669_decoy,GCR,Decoy,0,-8.97651,-3.05,-1.84,-3.0783970897552604
O[C@H](CBr)c1ccc(-c2ccc(Br)cc2)cc1,C12506228_decoy,GCR,Decoy,0,-9.29306,-7.68,-0.82,-12.47907449183089
O=C(Nc1ccc(Br)cc1Cl)[C@@H]1Cc2ccccc2S1,C14060861_decoy,GCR,Decoy,0,-9.22336,-8.57,-0.54,-8.543070584252591
Clc1cccc2nc(-c3cccc(I)c3)[nH]c12,C20156677_decoy,GCR,Decoy,0,-8.45271,-6.05,-0.98,-5.08613400854237
Clc1cc(Br)cc(Cl)c1N[C@H]1CCc2ccccc21,C20505657_decoy,GCR,Decoy,0,-9.76484,-6.91,-0.33,-7.817348024371205
O=C(Nc1ccc(Cl)cc1)C1=Cc2sc3c(c2CS1)CCCC3,C20557412_decoy,GCR,Decoy,0,-10.2075,-8.91,-0.48,-8.470549319010802
C[C@H](Nc1ccc(Br)cc1)c1ccccc1Br,C21791391_decoy,GCR,Decoy,0,-8.02286,-6.5,-0.83,-7.07544079444642
O=C(Cc1c(F)c(F)c(F)c(F)c1F)NC1C2CC3CC(C2)CC1C3,C24707083_decoy,GCR,Decoy,0,-8.70574,-8.69,-1.57,-13.703950647258022
O=C(Nc1cc(Br)ccc1Br)[C@@H]1C[C@H]2CC[C@@H]1C2,C31950410_decoy,GCR,Decoy,0,-9.39265,-8.27,-1.51,-11.55635524515003
S=c1[nH]cc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl,C03441747_decoy,GCR,Decoy,0,-9.41566,-3.49,-1.03,-3.648973859825464
CN[C@@H](c1cccs1)c1cc(Br)ccc1Br,C35467135_decoy,GCR,Decoy,0,-8.84783,-6.75,-0.73,-7.972352525564708
Fc1ccc(Br)cc1NCc1cc(Br)cs1,C36750584_decoy,GCR,Decoy,0,-8.72691,-6.33,-1.33,-7.085180774057035
Fc1cc(Br)ccc1NCc1csc(Br)c1,C36867750_decoy,GCR,Decoy,0,-8.69983,-6.79,-0.45,-9.416678641984449
Fc1ccc(Br)cc1NCc1csc(Br)c1,C36867908_decoy,GCR,Decoy,0,-9.14941,-6.64,-1.72,-6.162734104015292
Fc1ccc(-n2c(=S)[nH]c3cc(Br)ccc32)c(Cl)c1,C36898334_decoy,GCR,Decoy,0,-9.06076,-5.82,-0.66,-5.914560525273226
Fc1ccc2c(c1)[nH]c(=S)n2-c1ccc(Br)cc1Cl,C36898370_decoy,GCR,Decoy,0,-8.95045,-7.7,-2.99,-8.1666002051161
Cc1nc([C@@H](C)Nc2c(Cl)cc(Br)cc2Cl)cs1,C36915539_decoy,GCR,Decoy,0,-9.83327,-7.05,-1.25,-12.173533244478737
Cc1ccc([C@@H](C)Nc2ccc(C)c(I)c2)s1,C37056006_decoy,GCR,Decoy,0,-9.23372,-7.13,-1.68,-6.933229785414677
Cc1ccc([C@H](C)Nc2ccc(I)cc2Cl)o1,C37105449_decoy,GCR,Decoy,0,-8.9241,-5.45,-0.53,-6.255554097247278
Clc1ccc2c(c1)[C@@H](Nc1ccc(Br)cc1)CCS2,C37203643_decoy,GCR,Decoy,0,-9.99935,-7.06,-0.79,-7.985698965110514
Cc1ccc(F)c(N[C@@H](C)c2ccc(I)cc2)c1,C37245486_decoy,GCR,Decoy,0,-8.29068,-6.3,-1.62,-8.21223263646807
Ic1cccc(N[C@H]2CSCc3ccccc32)c1,C37248149_decoy,GCR,Decoy,0,-9.40654,-7.32,-1.06,-7.966772524109892
Ic1ccccc1N[C@H]1CSCc2ccccc21,C37248530_decoy,GCR,Decoy,0,-9.63003,-7.3,-4.49,-6.871920049720416
Fc1cc(Cl)ccc1N[C@@H]1CCOc2ccc(Br)cc21,C37297320_decoy,GCR,Decoy,0,-9.67491,-7.41,-0.98,-7.930458235398508
Clc1cc(Br)ccc1N[C@H]1CCSc2ccccc21,C37392245_decoy,GCR,Decoy,0,-8.81622,-7.88,-0.38,-8.219778061562035
N#C[C@@H](Nc1ccc(Br)cc1)c1ccc(Br)cc1,C37936301_decoy,GCR,Decoy,0,-8.64439,-6.34,-2.33,-7.206946575038003
N#C[C@@H](Nc1cccc(Br)c1)c1ccccc1Br,C37937602_decoy,GCR,Decoy,0,-8.42213,-7.39,-0.84,-7.711036138343436
Cc1ccccc1[C@@H](O)c1cc(Br)ccc1Br,C40245366_decoy,GCR,Decoy,0,-9.45369,-6.94,-0.94,-8.410987991569378
Cc1ccsc1[C@H](O)c1cc(Br)ccc1Br,C40245403_decoy,GCR,Decoy,0,-9.06017,-6.84,-0.88,-8.863742697087794
Cc1ccc([C@@H](O)c2cc(Br)sc2Br)cc1C,C40261104_decoy,GCR,Decoy,0,-8.52137,-7.39,-1.04,-6.635725631463932
Cc1ccc([C@@H](O)c2cc(Br)sc2Br)s1,C40261184_decoy,GCR,Decoy,0,-9.78373,-6.81,0.12,-6.851941968547409
O[C@@H](c1ccc(Br)s1)c1cc(Br)ccc1F,C40265040_decoy,GCR,Decoy,0,-10.1884,-6.29,-0.77,-8.003669184405112
O[C@@H](c1ccc(Br)s1)c1ccc(Br)cc1F,C40265046_decoy,GCR,Decoy,0,-10.1719,-6.05,,99.0
O=C1CCc2cc([C@H](Cl)Cc3ccc(Br)cc3)ccc2N1,C40270637_decoy,GCR,Decoy,0,-9.92566,-8.39,-4.92,-7.984966689319334
O=C1Cc2cc([C@H](Cl)c3ccccc3Br)c(Cl)cc2N1,C40276529_decoy,GCR,Decoy,0,-8.83622,-8.44,-0.39,-7.427901627260599
O=C1CCc2cc([C@H](Br)c3cc4c(s3)CCC4)ccc2N1,C40283433_decoy,GCR,Decoy,0,-10.1156,-9.39,-1.19,-8.028873630597602
O[C@H](Cc1ccc(Br)cc1)c1ccccc1Br,C43560652_decoy,GCR,Decoy,0,-8.35648,-6.84,-0.69,-7.088954839854951
C[C@@H](Nc1ncccc1Br)c1ccc(Br)cc1,C49526015_decoy,GCR,Decoy,0,-8.2855,-6.58,-0.6,-9.34501730686848
O[C@H](Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1,C49598323_decoy,GCR,Decoy,0,-9.28761,-7.52,-0.62,-7.771767290185734
CC1CCC2(CC1)CS/C(=N\c1cc(Br)ccc1F)N2,C53100037_decoy,GCR,Decoy,0,-9.93668,-7.94,-0.33,-7.617616706979102
O[C@@H](Cc1cc(Br)ccc1F)c1cccc(Br)c1,C53783487_decoy,GCR,Decoy,0,-9.69324,-7.19,-0.89,-8.2592691671439
O[C@@H](Cc1ccc(Br)s1)c1cccc(Br)c1,C53783493_decoy,GCR,Decoy,0,-8.62366,-6.91,-2.45,-7.538157544159527
O[C@H](Cc1ccc(Br)cc1F)c1cccc(Br)c1,C53783510_decoy,GCR,Decoy,0,-9.31236,-7.16,-1.1,-8.234896408007586
O[C@H](Cc1ccc(Br)s1)c1ccccc1Br,C53786581_decoy,GCR,Decoy,0,-9.86065,-6.5,-0.6,-7.515876709795439
O=C(Nc1cc(Br)ccc1Cl)c1cc2c(s1)CCC2,C61692862_decoy,GCR,Decoy,0,-9.46087,-8.01,-0.66,-9.03086292870371
O[C@H](Cc1ccc(Br)cc1)c1ccccc1I,C62138928_decoy,GCR,Decoy,0,-8.53991,-6.98,-0.83,-7.603100639336989
O[C@H](Cc1ccc(Br)cc1)c1ccc(I)cc1,C62138982_decoy,GCR,Decoy,0,-9.24518,-5.81,-0.67,-7.373131636559106
Clc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1,C03832058_decoy,GCR,Decoy,0,-9.12794,64.41,-3.73,22.24825300667577
Fc1ccccc1[C@H]1Nc2ccc(Br)cc2[C@H]2C=CC[C@H]21,C04003422_decoy,GCR,Decoy,0,-9.20084,-9.17,0.18,-6.901425981581094
C1=C(c2ccc3ccccc3n2)[C@@H](c2ccccc2)Nc2ccccc21,C03904591_decoy,GCR,Decoy,0,-8.63735,-4.09,-1.31,-3.5607903056181187
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C01207064_decoy,GCR,Decoy,0,-9.79093,-9.37,-0.44,-8.17893803830588
Fc1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21,C05946104_decoy,GCR,Decoy,0,-9.36568,-9.95,0.05,-8.025391794927687
Clc1[nH]c2c(Br)ccc(Br)c2c1Cl,C13450039_decoy,GCR,Decoy,0,-8.54102,-6.4,-0.19,-5.182741264388491
Cc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)s1,C14456507_decoy,GCR,Decoy,0,-9.38947,-8.1,-0.96,-7.645605442983232
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2,C14457631_decoy,GCR,Decoy,0,-9.34873,-4.42,-0.59,-4.32153913793073
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14457634_decoy,GCR,Decoy,0,-9.98189,-10.76,-0.97,-8.62419256648735
N#Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2,C14476899_decoy,GCR,Decoy,0,-10.2378,-9.85,-0.19,-8.42087008641986
Fc1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21,C15227931_decoy,GCR,Decoy,0,-8.11324,-9.85,-0.62,-9.42457972723449
Fc1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21,C00083638_decoy,GCR,Decoy,0,-9.23122,-3.89,-0.53,-3.5406978183663704
S=c1nc(-c2ccccc2Cl)[nH]c2sc3c(c12)CCCC3,C01301712_decoy,GCR,Decoy,0,-10.7967,-8.2,-2.11,-7.088775675844218
Cc1ccc([C@@H](C)Nc2ccc(I)cc2)s1,C20477277_decoy,GCR,Decoy,0,-8.30138,-1.93,-2.81,-2.791548454529014
Cc1ccc([C@H](C)Nc2ccc(I)cc2)s1,C20477280_decoy,GCR,Decoy,0,-8.32597,-3.18,-0.94,-3.073046540723999
C[C@H](Nc1ccc(I)cc1)c1ccccc1F,C20477696_decoy,GCR,Decoy,0,-7.87393,-6.22,-0.42,-5.438076699571383
Cc1ccc([C@@H](C)Nc2cccc(I)c2)s1,C20478461_decoy,GCR,Decoy,0,-9.5023,-3.15,-0.82,-3.613960499624093
Cc1ccc([C@@H](C)Nc2cccc(I)c2)cc1,C20479063_decoy,GCR,Decoy,0,-7.37458,-6.72,-0.55,-6.196625237181431
CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2,C20707865_decoy,GCR,Decoy,0,-10.2159,-3.69,-0.6,-3.7102526293677234
Oc1ccc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc1,C08436457_decoy,GCR,Decoy,0,-10.3185,-1.7,-1.7,-3.1873675695151045
O=C(NC1C2CC3CC(C2)CC1C3)c1cc(F)c(Cl)cc1Cl,C24106921_decoy,GCR,Decoy,0,-9.49539,-9.54,-2.58,-8.904741291855224
Fc1cccc(Cl)c1CNc1c(Cl)ccc2scnc12,C36923369_decoy,GCR,Decoy,0,-9.49831,-6.98,-2.45,-7.901922561307199
Cc1ccc(NC[C@H]2CC=CCC2)cc1I,C37055627_decoy,GCR,Decoy,0,-8.46844,-2.64,-4.83,-3.049934678684611
Cc1ccc(NC[C@@H]2CC=CCC2)cc1I,C37055629_decoy,GCR,Decoy,0,-8.37328,-3.41,-2.05,-3.955190578283906
Cc1ccc(N[C@H](C)c2cccs2)cc1I,C37056039_decoy,GCR,Decoy,0,-8.92045,-2.59,-0.8,-3.400468014717805
C[C@H](Nc1cc(Br)ccc1Br)C1(C)CC1,C37121712_decoy,GCR,Decoy,0,-8.24405,-6.67,-0.28,-8.606618125613894
Cc1cccc(N[C@H](C)c2ccc(I)cc2)c1,C37185337_decoy,GCR,Decoy,0,-8.21737,-6.21,-0.05,-6.010127988469299
C[C@H](Nc1ccc(F)cc1)c1ccc(I)cc1,C37210556_decoy,GCR,Decoy,0,-7.47179,-7.15,-0.66,-6.742251871980761
Fc1cccc2c1SCC[C@H]2Nc1cccc(Cl)c1Cl,C37243684_decoy,GCR,Decoy,0,-10.4681,-8.81,-0.28,-8.506342094752695
CO[C@@H]1CCCC[C@@H]1Nc1ccc(I)cc1,C37247728_decoy,GCR,Decoy,0,-7.96874,-6.33,-0.54,-9.31011304161717
CO[C@@H]1CCCC[C@H]1Nc1ccc(I)cc1,C37247732_decoy,GCR,Decoy,0,-7.54488,-6.42,-1.05,-6.657276111362397
C[C@H](Nc1ccc(Br)cc1Cl)c1ccc(F)c(F)c1,C37392231_decoy,GCR,Decoy,0,-8.10271,-7.35,-1.21,-7.494735890602783
FC(F)(F)c1cc(Br)ccc1NC1CCSCC1,C37518807_decoy,GCR,Decoy,0,-7.97014,-7.8,-2.62,-8.630940902201175
C[C@H](Nc1ccc(F)c(F)c1F)c1ccc(Br)s1,C38001677_decoy,GCR,Decoy,0,-8.29679,-7.23,-0.63,-7.142993841848481
C[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(Br)s1,C38001678_decoy,GCR,Decoy,0,-8.82316,-6.69,-1.03,-6.985366172016558
O[C@@H](c1cccc(Br)c1)c1cc(Cl)ccc1Cl,C40260653_decoy,GCR,Decoy,0,-9.42188,-6.45,-0.8,-7.369675406441567
O[C@H](c1ccc(Br)s1)c1ccc(Cl)cc1Cl,C40264931_decoy,GCR,Decoy,0,-8.88818,-6.36,-0.59,-5.810171997634021
O[C@H](c1ccc(Br)s1)c1cccc(Cl)c1Cl,C40265007_decoy,GCR,Decoy,0,-8.96311,-5.87,-0.4,-5.618890694937749
O[C@@H](c1ccc(Br)s1)c1cccc(Cl)c1Cl,C40265008_decoy,GCR,Decoy,0,-10.5474,-6.09,-1.39,-7.307877802646578
Cc1ccc(/N=C2/N[C@H](CC(C)C)CS2)c(Br)c1,C40795343_decoy,GCR,Decoy,0,-8.63785,-7.59,-1.02,-7.9665717674838366
Cc1ccc(/N=C2/N[C@@H](CC(C)C)CS2)c(Br)c1,C40795346_decoy,GCR,Decoy,0,-8.71212,-7.78,-0.98,-7.495018133702882
Cc1cc(/N=C2/N[C@H](CC(C)C)CS2)ccc1Br,C40795582_decoy,GCR,Decoy,0,-9.22628,-2.96,-0.72,-3.3735879256935752
Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1,C41012746_decoy,GCR,Decoy,0,-8.75899,-1.7,-1.07,-3.389513595018302
Fc1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21,C43769718_decoy,GCR,Decoy,0,-8.50295,-9.96,-0.94,-10.27725397371199
Oc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1F,C44835907_decoy,GCR,Decoy,0,-9.34492,-7.86,-1.2,-7.180267397961795
Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(Cl)cc1,C00226599_decoy,GCR,Decoy,0,-9.2229,-3.85,-2.59,-3.889943453032862
Clc1cc(Br)ccc1/N=C1/NC2(CCCC2)CS1,C53046523_decoy,GCR,Decoy,0,-9.48548,-7.83,-1.25,-9.042656001912114
N#C[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1Br,C54826544_decoy,GCR,Decoy,0,-8.59618,-6.85,-1.08,-8.829952321711527
O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)C12CC3CC(CC(C3)C1)C2,C22762811_decoy,GCR,Decoy,0,-8.53532,-3.73,-1.55,-3.879729617763864
C[C@H](Nc1cc(F)c(F)c(F)c1)c1ccc(Br)s1,C61099700_decoy,GCR,Decoy,0,-8.27587,-6.73,-1.89,-6.896665906944743
CC1=CC(C)(C)N(C(=O)Nc2ccc(Cl)cc2)c2c(C)cc(C)cc21,C01188871_decoy,GCR,Decoy,0,-7.88965,-2.78,-1.22,-3.100176763071513
C[C@@H]1[C@H](C)CCC[C@H]1Nc1c(-c2ccsc2)nc2ccc(Cl)cn12,C03909901_decoy,GCR,Decoy,0,-8.9265,-3.76,-2.98,-3.891843363242568
O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Cl)s1,C04279315_decoy,GCR,Decoy,0,-11.2176,-4.32,-1.91,-5.1524930137521405
O=C(Nc1ccccc1N1CCCCC1)c1sc2ccccc2c1Cl,C02236901_decoy,GCR,Decoy,0,-9.28793,-2.96,-1.45,-3.9409979725213926
C[C@H]1CCCC[C@@H]1NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2,C02073052_decoy,GCR,Decoy,0,-6.57481,-4.06,-3.78,-2.912913964400943
C[C@H]1CCCC[C@H]1NC(=O)c1c2c(nc3ccccc13)-c1ccccc1CC2,C02073050_decoy,GCR,Decoy,0,-9.78792,-3.86,-5.22,-4.098660313737198
c1ccc2sc3c(-c4ccncc4)sc4ccccc4[nH]c-3nc2c1,C03032840_decoy,GCR,Decoy,0,-7.20602,-4.43,-2.12,-3.043745383498289
Cc1ccc([C@H]2SCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1,C00692124_decoy,GCR,Decoy,0,-9.64865,-3.82,-1.87,-4.224590770120136
Cc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1,C00692123_decoy,GCR,Decoy,0,-10.5861,-3.48,-3.12,-4.155733718042402
N#Cc1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2,C02740150_decoy,GCR,Decoy,0,-9.53757,-3.23,-5.38,-3.844739073170247
O=C1O[C@](c2ccccc2)(c2cc(Br)ccc2O)c2ccccc21,C04692306_decoy,GCR,Decoy,0,-8.45245,-10.04,-0.94,-10.299507844955926
O=C1O[C@](Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc21,C02893092_decoy,GCR,Decoy,0,-9.4408,-5.03,-3.11,-4.406345718702343
Cc1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1F,C04940204_decoy,GCR,Decoy,0,-9.86926,-0.19,-1.74,-4.376792190294634
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2,C05020937_decoy,GCR,Decoy,0,-10.4641,-3.47,-4.3,-4.071974563705742
CSc1ccc2nc(Nc3sc4c(c3C#N)CCCC4)sc2c1,C05122801_decoy,GCR,Decoy,0,-11.3421,-2.94,-0.89,-4.41930973691174
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NC1CCCCC1,C01082160_decoy,GCR,Decoy,0,-9.40102,-4.0,-3.29,-4.240937339617787
Cc1sc2nc(-c3cccs3)nc(Nc3ccc(F)cc3)c2c1C,C03406888_decoy,GCR,Decoy,0,-10.4178,-3.47,-3.23,-4.163807861784617
Clc1ccc2nc(COc3cc(Cl)c(Cl)cc3Cl)[nH]c2c1,C05695846_decoy,GCR,Decoy,0,-10.1317,-7.29,-2.2,-8.09899795200027
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)s1,C06192022_decoy,GCR,Decoy,0,-10.6394,42.06,-0.55,10.296610649838016
CCn1cc(/C=C2/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cn1,C02800425_decoy,GCR,Decoy,0,-10.9796,-3.76,-1.4,-4.179983769774032
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2c(c1)CCC2,C08395534_decoy,GCR,Decoy,0,-6.67846,-3.2,-1.66,-2.986191064828362
Cc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1,C00951464_decoy,GCR,Decoy,0,-9.1548,17.14,-1.48,2.8113207683369064
O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1,C10694668_decoy,GCR,Decoy,0,-10.0056,-3.5,-1.61,-4.281410280840092
O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccccc1Cl,C10694669_decoy,GCR,Decoy,0,-9.98787,-4.11,-2.81,-4.715088467213182
COc1ccc(N2CC3=C(NC2=S)c2ccccc2CC32CCCCC2)cc1,C13943357_decoy,GCR,Decoy,0,-10.374,11.07,-1.34,0.2873385368401441
Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2[C@@H]2CCCc3ccccc32)c(F)c1,C20149870_decoy,GCR,Decoy,0,-9.51776,-5.48,-2.32,-4.882504570306645
O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nc(Cl)ccc1Cl,C20505268_decoy,GCR,Decoy,0,-10.841,-8.08,-4.33,-7.720331109682092
CC(C)c1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2c(Cl)cccc23)cc1,C20642216_decoy,GCR,Decoy,0,-9.74769,-3.4,,99.0
Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc3ccccc3c2)cc1,C20885065_decoy,GCR,Decoy,0,-10.83,-4.33,-0.61,-4.034039325500097
Cc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)c(C)c1,C21364417_decoy,GCR,Decoy,0,-10.3612,-9.09,-0.67,-8.157626681745537
Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1,C26508675_decoy,GCR,Decoy,0,-9.50661,-3.93,-4.52,-3.953012048805874
O=C(NC1=NC2=C(CCCC2)C2(CCCCC2)S1)c1ccccc1F,C17241955_decoy,GCR,Decoy,0,-9.93928,-3.39,-2.46,-4.216124822040972
OCc1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2,C35682737_decoy,GCR,Decoy,0,-10.6679,34.46,-1.13,7.582395667799085
N#Cc1ccc(Nc2nc3cc(Br)ccc3s2)cc1Cl,C37206893_decoy,GCR,Decoy,0,-10.6045,-8.64,-1.24,-6.63777401417121
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)nc(Cl)c1,C37373587_decoy,GCR,Decoy,0,-10.4018,-8.68,-2.63,-8.325846835734257
Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)s1,C03911571_decoy,GCR,Decoy,0,-8.81018,-4.15,-3.06,-2.608437861744473
CC(C)(C)[C@@H]1N=c2ccc(NCc3ccc(Br)s3)cc2=N1,C39560880_decoy,GCR,Decoy,0,-9.91381,-4.51,-0.87,-4.485302243720938
CC(C)(C)[C@H]1N=c2ccc(NCc3ccc(Br)s3)cc2=N1,C39560882_decoy,GCR,Decoy,0,-9.78421,-2.72,-1.45,-3.7043000329125615
O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N1CCC[C@H]2CCCC[C@@H]21,C44989520_decoy,GCR,Decoy,0,-9.1733,-4.96,-3.59,-4.72710366164166
CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccc2ccccc12,C02099970_decoy,GCR,Decoy,0,-9.2918,-6.16,-1.61,-4.350432095508485
CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccc2ccccc12,C03999004_decoy,GCR,Decoy,0,-10.0055,6.54,-0.78,-1.0529912829742525
CC(C)(C)Nc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12,C04584254_decoy,GCR,Decoy,0,-10.2848,-3.65,-2.27,-4.218952019878881
Oc1ccc(Cl)cc1-c1nc2cc(Cl)ccc2n1Cc1ccccc1,C05267015_decoy,GCR,Decoy,0,-8.88452,-4.53,-2.59,-4.233010387908204
CC(C)n1c(-c2cc(Cl)ccc2O)nc2cc(Br)ccc21,C37442128_decoy,GCR,Decoy,0,-9.27134,-8.69,-1.07,-8.027719781890314
O=C(N/N=C/c1ccc2cc3ccccc3cc2c1)c1cccc(Cl)c1,C59158613_decoy,GCR,Decoy,0,-9.91714,-3.88,-0.91,-4.488625163215001
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)nc1Cl,C60098730_decoy,GCR,Decoy,0,-10.3516,-3.04,-2.43,-3.989987639924772
CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(Cl)cc1Cl,C04812557_decoy,GCR,Decoy,0,-10.6189,-5.93,-1.96,-4.708469523962947
FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)c2ccccc2n1,C32540733_decoy,GCR,Decoy,0,-9.33343,-8.08,0.05,-6.368219032978594
Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3Cl)N=C(O)CCN21,C05370038_decoy,GCR,Decoy,0,-9.91089,-5.72,-1.0,-4.513012231620244
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3Cl)N=C(O)CCN21,C02218285_decoy,GCR,Decoy,0,-10.0539,-2.19,-3.91,-3.5205593272538165
Clc1ccc(/C=N/Nc2ccc(Br)cc2)c(Cl)c1,C04017778_decoy,GCR,Decoy,0,-8.40796,-4.71,-1.66,-4.626010236641011
Cc1c2ccccc2nc2c(F)c(NC3CCCCC3)c(F)c(F)c12,C04168860_decoy,GCR,Decoy,0,-9.45838,-2.62,-0.8,-3.2925089777611567
Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3ccccc3)nc2c1,C04630474_decoy,GCR,Decoy,0,-8.27891,-2.08,-3.49,-3.061447138639061
c1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1,C02588327_decoy,GCR,Decoy,0,-9.57663,-3.27,-4.0,-4.038356406779939
Cc1ccc(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c23)c(C)c1,C05508744_decoy,GCR,Decoy,0,-9.66648,-5.56,-2.39,-4.634791317225424
O=C1CCCCCCCCCC[C@H]1C(O)(C(F)(F)F)C(F)(F)F,C05566833_decoy,GCR,Decoy,0,-5.89573,-4.16,-1.03,-3.190357767721888
Clc1ccc2c(c1)CC/C2=N/Nc1ccnc2cc(Cl)ccc12,C05771058_decoy,GCR,Decoy,0,-9.4596,-8.65,-0.9,-6.947940914432864
Cc1ccc(/C=C/C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1,C00504543_decoy,GCR,Decoy,0,-8.57323,-2.69,-1.99,-3.739464025287977
C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,C06249633_decoy,GCR,Decoy,0,-10.0218,-2.91,-0.18,-4.478682464352754
O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl,C01111977_decoy,GCR,Decoy,0,-8.91262,-3.16,,99.0
Cc1ccc(N/N=C/C(Br)=C/c2ccccc2)cc1Cl,C03231813_decoy,GCR,Decoy,0,-9.53218,-3.61,-2.52,-5.815661738228702
CSc1ccc2nc(Nc3cc(Cl)ccc3Cl)sc2c1,C10069033_decoy,GCR,Decoy,0,-11.6314,-7.84,-4.98,-8.326414650561421
Clc1cccc(Nc2c3c(nc4ccc(Cl)cc24)CCCC3)c1,C04923921_decoy,GCR,Decoy,0,-9.76239,-6.84,-1.46,-6.849382533320219
Cc1ccc(Nc2c3c(nc4ccc(Cl)cc24)CCC3)c(Cl)c1,C04924222_decoy,GCR,Decoy,0,-9.5469,-5.12,-3.38,-4.333334467265916
CSc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,C02055682_decoy,GCR,Decoy,0,-9.37511,-2.53,-3.13,-3.8199684652037393
CN1/C(=C\C(=S)Nc2cccc3ccccc23)C(C)(C)c2ccccc21,C12524252_decoy,GCR,Decoy,0,-9.61107,-6.84,-2.51,-8.039892267885245
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2,C14463217_decoy,GCR,Decoy,0,-10.4962,-8.55,-4.85,-9.234290049921569
CC(C)Oc1cccc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21,C14463361_decoy,GCR,Decoy,0,-10.1077,35.13,-2.55,9.858214265230997
C[C@@H](Nc1c(Cl)ccc2scnc12)c1cccc(Br)c1,C36923378_decoy,GCR,Decoy,0,-9.44414,-7.99,-0.41,-12.882877406394496
CSc1nc2ccc(N[C@H](C)c3ccc(Cl)s3)cc2s1,C36956321_decoy,GCR,Decoy,0,-10.4381,-7.19,-1.08,-11.27517628964388
N#Cc1cc(NC2CC(c3ccccc3Br)C2)ccc1Cl,C36973428_decoy,GCR,Decoy,0,-9.70838,-8.82,-0.52,-8.231799954295017
CCOc1c(Br)cc(Cl)cc1NC1CCC(C)CC1,C36989210_decoy,GCR,Decoy,0,-9.06787,-6.59,-2.33,-7.791449821838841
CCOc1c(Br)cc(Cl)cc1N[C@H]1CCCC[C@@H]1C,C36989220_decoy,GCR,Decoy,0,-9.10153,-6.73,-1.97,-8.139217505775624
CCOc1c(Br)cc(Cl)cc1N[C@H]1CCCC[C@H]1C,C36989222_decoy,GCR,Decoy,0,-8.79765,-6.81,-0.84,-7.703860790494988
N#CCc1ccc(NC2CC(c3ccc(Br)cc3)C2)cc1,C37071514_decoy,GCR,Decoy,0,-9.07234,-0.39,-1.12,-3.313629724664777
Cc1ccc(C2CC(Nc3ccc(C#N)cc3Br)C2)cc1,C37072352_decoy,GCR,Decoy,0,-9.03694,-8.22,-0.68,-11.000347270023854
Clc1cc(Cl)cc(N[C@@H]2CCOc3ccc(Br)cc32)c1,C37199646_decoy,GCR,Decoy,0,-9.43551,-7.59,-0.46,-6.691318363288742
Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1cc(Cl)cc(Cl)c1,C37199678_decoy,GCR,Decoy,0,-9.08679,-8.3,-2.41,-10.0182855788814
Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccc(Cl)c(Cl)c1,C37200499_decoy,GCR,Decoy,0,-10.1164,-5.81,-1.28,-6.6869438381962905
FC(F)Sc1ccccc1Nc1nc2cccc(Cl)c2s1,C37206379_decoy,GCR,Decoy,0,-9.0115,-7.83,-1.5,-8.824332183210966
Fc1ccc(Nc2nc3cc(Br)ccc3s2)c(F)c1F,C37206402_decoy,GCR,Decoy,0,-10.6358,9.02,-0.78,-0.5131579520716785
Fc1ccc(N[C@@H](c2ccco2)c2ccc(Cl)s2)cc1Cl,C37244426_decoy,GCR,Decoy,0,-9.0075,-6.54,-3.79,-7.107909068563584
Cc1ccc(N[C@H]2CCCOc3cc(Br)ccc32)c(Cl)c1,C37245295_decoy,GCR,Decoy,0,-9.59825,-7.79,0.18,-8.152704713559462
Fc1c(Cl)cccc1N[C@@H](c1ccco1)c1ccc(Cl)s1,C37246511_decoy,GCR,Decoy,0,-9.66834,-7.7,-4.85,-8.116565834660697
C[C@H](Nc1ccc(N(C)C)cc1)c1ccc(Cl)c(Cl)c1Cl,C37270201_decoy,GCR,Decoy,0,-9.82751,-7.16,-3.74,-7.874931211763141
C[C@@H](Nc1ccc(N(C)C)cc1)c1ccc(Cl)c(Cl)c1Cl,C37270203_decoy,GCR,Decoy,0,-9.56623,-7.41,-2.97,-6.70093655177401
Fc1cc(N[C@H](c2ccco2)c2ccc(Cl)s2)ccc1Cl,C37301026_decoy,GCR,Decoy,0,-9.21362,-7.26,-1.27,-7.374246983533042
Fc1ccccc1CN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F,C39227991_decoy,GCR,Decoy,0,-9.52289,-3.92,-3.01,-3.983821977465608
C[C@@H](Br)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,C39414402_decoy,GCR,Decoy,0,-8.4521,-4.43,-3.98,-4.340783540736901
N#C[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1C(F)(F)F,C54825458_decoy,GCR,Decoy,0,-8.10551,-7.99,-1.76,-7.592318933844028
N#C[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1C(F)(F)F,C54825460_decoy,GCR,Decoy,0,-8.12076,-7.83,-3.06,-7.804243386349409
N#C[C@H]1CCCC[C@H]1Nc1cc(Br)ccc1Br,C54826455_decoy,GCR,Decoy,0,-8.61202,-1.22,-2.03,-2.778766423794124
N#C[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1Br,C54826548_decoy,GCR,Decoy,0,-8.73064,-3.06,-3.3,-3.514496950457943
Cc1ccc(Cl)cc1/N=C\c1cc(Cl)cc(Br)c1O,C16347242_decoy,GCR,Decoy,0,-9.7061,-7.55,-1.79,-8.042045912252362
Oc1ccc2ccccc2c1/C=N/c1ccc(I)cc1,C00799540_decoy,GCR,Decoy,0,-9.0841,-1.32,-4.17,-2.9598617807653023
C/C(=[NH+]\c1ccccc1Br)c1sc2ccccc2c1[O-],C19708654_decoy,GCR,Decoy,0,-8.69192,9.15,-0.78,0.1331194639768528
CC(C)(C)C1=CC(=CNc2ccc(Cl)cc2)C=C(C(C)(C)C)C1=O,C21298325_decoy,GCR,Decoy,0,-9.58146,-3.79,,99.0
Clc1cccc(Cl)c1/C=N/Nc1ccc(Br)cc1,C05248557_decoy,GCR,Decoy,0,-9.07836,-6.95,-1.51,-7.642738099747322
Clc1ccc(Cl)c(N/N=C/c2ccc(Br)cc2)c1,C59398971_decoy,GCR,Decoy,0,-9.35204,-4.9,-1.12,-5.664766716315912
Clc1ccc(Cl)c(N/N=C/c2cccc(Br)c2)c1,C59398983_decoy,GCR,Decoy,0,-9.91284,-7.39,-1.78,-8.346442453005652
O=C1Nc2c(ccc3c2oc2ccccc23)C(c2ccccc2)(c2ccccc2)O1,C03850976_decoy,GCR,Decoy,0,-9.00446,-6.06,-1.31,-4.668775924695615
O=C1c2ccccc2C(=O)c2c(Nc3nc4ccccc4s3)cccc21,C04117034_decoy,GCR,Decoy,0,-9.32303,-2.63,-5.53,-3.3562485911540985
O=C1c2ccccc2-c2onc3ccc(Nc4ccc(Br)cc4)c1c23,C00850489_decoy,GCR,Decoy,0,-8.7198,-2.88,-3.17,-3.221225746364948
FC(F)(F)c1nc(Nc2ccccc2Cl)sc1-c1ccccc1,C03670911_decoy,GCR,Decoy,0,-8.95339,-8.47,-1.24,-9.819662077850872
Cc1ccccc1N/N=C/c1ccc(-c2ccc(Br)cc2)o1,C04578218_decoy,GCR,Decoy,0,-8.14722,-6.47,-0.71,-6.834605806720967
Cc1ccn2c(Nc3c(C)cccc3C)c([C@H](C)c3ccccc3)nc2c1,C04156684_decoy,GCR,Decoy,0,-9.51437,-3.43,-1.5,-4.100849181010103
Cc1nc2c(c3[nH]c4ccccc4c13)/C(=N/N(C)c1ccccc1)CC(C)(C)C2,C04729432_decoy,GCR,Decoy,0,-10.321,-2.34,-4.12,-3.6328749279392873
Cc1cc(Nc2ccc3c(c2)nc2cc(C)c4ccccc4n23)nc2ccccc12,C01875027_decoy,GCR,Decoy,0,-10.3993,-5.57,-3.48,-4.448753158576244
c1ccc2c(c1)/C(=N\Nc1cccc3ccccc13)c1nc3ccccc3nc1-2,C05576379_decoy,GCR,Decoy,0,-9.61984,-5.95,-3.31,-4.437196960517497
c1ccc2c(c1)/C(=N\Nc1ccc3ccccc3c1)c1nc3ccccc3nc1-2,C05603306_decoy,GCR,Decoy,0,-9.39851,-5.9,-4.44,-2.921112673268785
Cc1c(C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)oc2ccc3c(c12)C=CC1(CCCC1)O3,C06894488_decoy,GCR,Decoy,0,-11.498,-4.15,-0.64,-4.969864626914356
Cc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)oc2ccc3c(c12)C=CC1(CCCC1)O3,C06894489_decoy,GCR,Decoy,0,-11.3333,-3.39,-2.39,-4.1391864934359495
Cc1c(C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)oc2ccc3c(c12)C=CC1(CCCC1)O3,C06894490_decoy,GCR,Decoy,0,-10.6863,-3.91,-3.1,-3.997858455272077
O=c1[nH]c2ccccc2n2/c(=N/c3ccccc3)sc(-c3ccccc3)c12,C00716566_decoy,GCR,Decoy,0,-9.02446,-4.2,-4.36,-3.545223783576639
Clc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Cl,C06996025_decoy,GCR,Decoy,0,-9.99363,-1.53,-0.35,-2.9502839047622857
FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2cc(Cl)cc(Cl)c2)n1,C02355772_decoy,GCR,Decoy,0,-9.38774,-4.06,-3.95,-4.241022835033012
Clc1ccc2c(N/N=C/c3ccc(-c4ccccc4)cc3)ccnc2c1,C05658165_decoy,GCR,Decoy,0,-9.33388,-6.8,-1.97,-5.219202372152309
O=C1c2ccccc2C(=O)c2c(Nc3c4ccccc4nc4ccccc34)cccc21,C06548868_decoy,GCR,Decoy,0,-10.0798,-6.39,-1.26,-4.527431575488737
O=c1oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2cc1-c1nc2ccccc2[nH]1,C06664337_decoy,GCR,Decoy,0,-11.6959,-7.52,-2.1,-6.49230444375828
Clc1ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n2c1,C04382466_decoy,GCR,Decoy,0,-9.85373,-4.61,-3.8,-4.304901708413305
CCN(CC)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14457619_decoy,GCR,Decoy,0,-10.6654,-2.46,-4.43,-4.10906300145522
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14457620_decoy,GCR,Decoy,0,-10.7769,0.83,-4.45,-3.218502676814033
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14457622_decoy,GCR,Decoy,0,-10.463,-3.66,-1.84,-4.826239870079924
Cc1cc(C)c([C@H]2Nc3c(OCC(C)C)cccc3[C@H]3C=CC[C@@H]32)c(C)c1,C14458022_decoy,GCR,Decoy,0,-10.0809,-2.97,-2.32,-4.028438578683255
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464291_decoy,GCR,Decoy,0,-10.3964,-3.14,0.09,-4.21721754248884
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464293_decoy,GCR,Decoy,0,-9.90821,0.4,-0.34,-3.2297265936895108
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14475398_decoy,GCR,Decoy,0,-10.0242,-2.47,0.02,-4.131518585676647
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14475399_decoy,GCR,Decoy,0,-10.5846,-11.27,-3.29,-12.364421489030647
O=[N+]([O-])c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21,C14549193_decoy,GCR,Decoy,0,-9.76159,-3.3,-2.14,-3.655487654922445
CC(C)COc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21,C14549368_decoy,GCR,Decoy,0,-11.5082,-3.6,-1.88,-4.772551675565815
Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)c1C#N,C06275664_decoy,GCR,Decoy,0,-9.81731,-3.4,-2.23,-3.591655717010711
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2,C20691086_decoy,GCR,Decoy,0,-10.9802,-0.11,-3.56,-4.138380925724709
Cc1cc(C)c([C@H]2Nc3c(OCC(C)C)cccc3[C@@H]3C=CC[C@@H]23)c(C)c1,C20691637_decoy,GCR,Decoy,0,-10.3218,-5.47,-1.91,-4.9059853088738405
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20708368_decoy,GCR,Decoy,0,-10.0631,-10.55,-0.17,-19.206620807460745
Clc1cncc(Cl)c1N/N=C/c1ccccc1-c1ccccc1Br,C28571550_decoy,GCR,Decoy,0,-9.64505,-8.13,-1.88,-8.450042325903242
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2c(Cl)c(Cl)ccc2s1,C32127652_decoy,GCR,Decoy,0,-11.4308,-3.43,-2.68,-5.102560238587492
O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2nc3ccccc3s2)s1,C35553680_decoy,GCR,Decoy,0,-11.0047,-3.9,-0.61,-4.545609274571609
FC(F)Oc1c(Br)cc(Cl)cc1NC1CCCCC1,C36989726_decoy,GCR,Decoy,0,-8.59598,-7.03,-3.14,-7.307108631066017
Clc1ccc(Cl)c(N[C@@H](c2ccco2)c2ccc(Cl)s2)c1,C37188187_decoy,GCR,Decoy,0,-10.0401,-7.07,-2.04,-8.151502563908872
Clc1cc(Cl)cc(N[C@H](c2ccco2)c2ccc(Cl)s2)c1,C37199630_decoy,GCR,Decoy,0,-10.1151,-6.61,-3.25,-8.140656300390816
Clc1ccc([C@@H](Nc2ccc(Cl)c(Cl)c2)c2ccco2)s1,C37200451_decoy,GCR,Decoy,0,-10.5627,-6.03,-1.19,-8.21464915354499
Clc1ccc([C@H](Nc2cccc(Cl)c2Cl)c2ccco2)s1,C37243703_decoy,GCR,Decoy,0,-9.69252,-7.53,-1.77,-7.749057603389231
Cc1ccc2nc(Nc3nc4c(Cl)c(Cl)ccc4s3)oc2c1C,C57352950_decoy,GCR,Decoy,0,-10.5183,-4.97,-1.02,-4.3665341390954255
Clc1ccc2oc(Nc3nc4c(Cl)c(Cl)ccc4s3)nc2c1,C57352962_decoy,GCR,Decoy,0,-10.4717,-7.92,-0.45,-6.553399097827758
Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C58928950_decoy,GCR,Decoy,0,-9.94872,-3.61,-1.02,-3.8903104776376223
Cc1ccc(C)c(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)c1,C59145665_decoy,GCR,Decoy,0,-9.13976,47.61,-3.01,13.94629506791218
O=C(N/N=C/c1ccc2cc3ccccc3cc2c1)c1ccc(Br)cc1,C59152999_decoy,GCR,Decoy,0,-8.53419,-9.53,-1.45,-10.248609028716936
Brc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1,C15989419_decoy,GCR,Decoy,0,-9.13734,-8.11,-0.31,-7.587349712786175
O=C(/N=c1/[nH]c2ccccc2s1)N1c2ccccc2Sc2ccccc21,C02295476_decoy,GCR,Decoy,0,-6.508,-4.33,-5.28,-2.947882929588342
Cc1ccc2[nH]/c(=N/C(=O)c3cc(-c4ccccc4)nc4ccccc34)sc2c1,C08973682_decoy,GCR,Decoy,0,-10.2105,-5.31,-3.53,-4.6022986346746215
Cn1c(=O)c(Nc2ccc(Br)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2,C02694679_decoy,GCR,Decoy,0,-10.8015,-5.78,-2.34,-4.87639903088488
Cc1ccc2nc(-c3cccc(/N=C/c4c(O)ccc5ccccc45)c3)oc2c1,C03162630_decoy,GCR,Decoy,0,-10.6491,-10.47,-1.73,-11.03657560951915
Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc2c1,C03113886_decoy,GCR,Decoy,0,-10.7106,-2.22,-0.47,-3.82045377611618
Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3O)nc12,C03114116_decoy,GCR,Decoy,0,-10.8901,-4.07,-1.28,-4.135255996332508
Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1,C03113184_decoy,GCR,Decoy,0,-10.6336,-4.04,-1.76,-4.267621074494746
Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc12,C03115293_decoy,GCR,Decoy,0,-11.0138,-4.84,-5.35,-4.78606389507451
Cc1c(/N=C/c2cc(Cl)cc(Cl)c2O)cccc1-c1nc2ccccc2o1,C04549235_decoy,GCR,Decoy,0,-10.8015,-3.29,-2.86,-3.8469618751000056
Cc1c(C(C)C)c(Nc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N,C00634597_decoy,GCR,Decoy,0,-10.0487,-3.4,-4.62,-4.14580827465889
N#Cc1c2c(c(Nc3ccc(Br)cc3)n3c1nc1ccccc13)CCCC2,C00941784_decoy,GCR,Decoy,0,-10.8159,-3.51,-2.97,-4.153579485743339
C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(NC4CCCCCC4)c23)C1,C03427483_decoy,GCR,Decoy,0,-10.5104,-4.54,-2.3,-4.603396386644131
Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,C02395287_decoy,GCR,Decoy,0,-10.2131,-3.45,-4.82,-4.003860250029298
Cc1cc(C)cc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1,C04835086_decoy,GCR,Decoy,0,-11.0799,-3.41,-1.65,-3.9716395687138646
C[C@@H]1CCCC[C@@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl,C05053566_decoy,GCR,Decoy,0,-10.2622,-2.72,-5.27,-3.9236528551727488
Clc1ccc(-c2csc3ncnc(Nc4nc5ccccc5s4)c23)cc1,C05410460_decoy,GCR,Decoy,0,-10.5583,-3.8,-1.39,-4.478609214119962
Clc1ccccc1-c1nc(Nc2cccc3ncccc23)c2ccccc2n1,C05590141_decoy,GCR,Decoy,0,-10.2735,-4.49,-3.41,-4.601980334437558
O=c1c2ccccc2nc(/C=C/c2c(O)ccc3ccccc23)n1C1CCCCC1,C05949024_decoy,GCR,Decoy,0,-6.50329,-5.28,-2.32,-3.2280282104999034
Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1C,C06207508_decoy,GCR,Decoy,0,-6.56761,-3.55,-3.8,-3.247320720729165
Cc1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O,C01878408_decoy,GCR,Decoy,0,-11.3022,26.87,-2.86,5.825884188560876
C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(NC4CCCCCC4)c23)C1,C03427485_decoy,GCR,Decoy,0,-8.05427,-3.54,-2.84,-3.2781724382721595
COc1ccc2sc(Nc3nc4c(cc5c6c(cccc64)CC5)s3)nc2c1,C10068975_decoy,GCR,Decoy,0,-12.2858,-4.66,-0.9,-5.279263924170306
O=c1[nH]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c12)CCCC3,C12285372_decoy,GCR,Decoy,0,-12.1992,-4.14,-2.7,-4.339763488187401
S=C1N[C@H]2c3cc(Br)ccc3O[C@@]3(CCC[C@@H]23)N1c1cccc(Cl)c1,C12437462_decoy,GCR,Decoy,0,-10.6288,-6.02,-1.61,-8.413425875708706
Cc1cc(/C=N/N=c2/[nH]c3ccccc3s2)c(C)n1-c1cccc2ccccc12,C02594520_decoy,GCR,Decoy,0,-8.97971,-9.35,-1.54,-10.179868206853548
CC(C)c1cc(Nc2cc(Cl)cc(Cl)c2)n2c(nc3ccccc32)c1C#N,C05050412_decoy,GCR,Decoy,0,-10.7462,-2.99,-3.72,-4.141571060315392
O=C(Nc1ccc(Cl)cc1)N1CCCCC/C1=N\c1ccc(Cl)c(Cl)c1,C13302942_decoy,GCR,Decoy,0,-10.7626,-4.4,-1.2,-4.849113717576638
O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C1CCCCC1,C13942340_decoy,GCR,Decoy,0,-10.1409,-4.54,-2.44,-4.504730622005383
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464285_decoy,GCR,Decoy,0,-10.3436,-11.03,-0.82,-19.536591998921764
O=[N+]([O-])c1cc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)ccc1Cl,C14470775_decoy,GCR,Decoy,0,-9.97774,-4.06,-0.77,-3.963923896993645
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14474963_decoy,GCR,Decoy,0,-10.263,1.74,-3.84,-2.7052456067426687
O=C(NC1CCCC1)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@@H]1c1ccccc1,C15735340_decoy,GCR,Decoy,0,-5.09638,-3.03,-3.71,-2.51462344857336
O=C1c2ccccc2C(=O)c2c(NC(=O)c3sc4ccccc4c3Cl)cccc21,C17091246_decoy,GCR,Decoy,0,-9.38904,-6.64,-0.83,-5.361823449958544
Cc1cccc(C)c1-n1c(C)cc(/C=N/N=c2/[nH]c3ccccc3s2)c1C,C01859547_decoy,GCR,Decoy,0,-9.06318,-7.08,-1.37,-5.810314008080924
Cc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(Cl)cc1)=N2,C06281374_decoy,GCR,Decoy,0,-10.9292,-2.17,-2.46,-3.752992885482967
CCN(CC)c1ccc([C@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]23)cc1,C20696627_decoy,GCR,Decoy,0,-9.85518,-2.8,-0.67,-4.109328683370902
CCn1c2ccccc2c2cc(/C=C3\S/C(=N\C4CCCC4)NC3=O)ccc21,C20987593_decoy,GCR,Decoy,0,-11.9511,-10.57,-4.23,-10.071271030728514
O=C(Nc1cccc2c1CCCC2)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1,C21536404_decoy,GCR,Decoy,0,-10.0205,-4.61,-2.79,-4.504316127963052
C/C(=C\C(=O)c1ccc(Br)cc1)Nc1ccc(Br)c(Cl)c1,C32100494_decoy,GCR,Decoy,0,-9.30619,-3.37,-5.17,-3.8890256373563785
Cc1ccc2nc(-c3cc(/N=C\c4ccc(Cl)c(Cl)c4)ccc3O)oc2c1,C18178405_decoy,GCR,Decoy,0,-9.47879,-4.65,-2.45,-4.397463780784787
CC[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cc(C)cc(C)c1)CCCC3,C33042867_decoy,GCR,Decoy,0,-10.0593,-3.29,-3.04,-4.078854095926648
C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1cccc2c1CCCC2)CCCC3,C33043013_decoy,GCR,Decoy,0,-6.77832,-3.88,-3.62,-2.7028725734505303
Cc1cccc(C)c1Nc1c(-c2ccco2)nc2c(Cl)cc(Cl)cn12,C35157216_decoy,GCR,Decoy,0,-9.32815,-5.03,-4.06,-4.489837042144604
Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccc(I)cc1Cl,C37313833_decoy,GCR,Decoy,0,-10.6611,-8.16,,99.0
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C/c3ccc(Br)cc3)S1)C2,C39983622_decoy,GCR,Decoy,0,-10.0574,-2.5,-0.76,-3.708519051391938
c1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3nc2-c2ccccc2)cc1,C40166099_decoy,GCR,Decoy,0,-9.29018,-4.57,-2.56,-4.3466006332194
Brc1ccc(Nc2nc(N3CCCCCC3)c3ccccc3n2)cc1,C41149169_decoy,GCR,Decoy,0,-9.01925,-2.66,-2.15,-3.44248231228038
Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1,C01922762_decoy,GCR,Decoy,0,-11.3847,-4.53,-2.55,-4.986777340107916
Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1C,C03170318_decoy,GCR,Decoy,0,-10.6619,27.06,-4.26,6.843852540916189
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1-c1nc2ccccc2o1,C00809269_decoy,GCR,Decoy,0,-9.2991,-4.29,-3.85,-4.1589753203207644
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1,C59105823_decoy,GCR,Decoy,0,-9.9653,-9.08,-4.32,-8.220993639451839
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)c(C)c3)S2)cc1C,C59224090_decoy,GCR,Decoy,0,-10.498,-1.3,-1.44,-3.54633925089802
O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1,C02956230_decoy,GCR,Decoy,0,-12.3005,-5.11,-5.66,-5.486189885692131
Cc1cccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)c1,C02714917_decoy,GCR,Decoy,0,-10.3079,-3.52,-1.9,-4.2579556471678055
O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2)[C@H]1Cl,C06474026_decoy,GCR,Decoy,0,-1.47523,-4.61,-4.03,-1.6544423803296335
Oc1ccc(Cl)cc1-c1csc(N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2c2ccccc2)n1,C08720942_decoy,GCR,Decoy,0,-12.8073,-5.82,-2.13,-5.547448770981009
C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)c2C#N)C1,C08832420_decoy,GCR,Decoy,0,-13.2255,-1.95,-5.79,-4.626483650779031
Clc1ccc(-c2c/c(=N\Nc3ccc4ccccc4n3)c3cc(Cl)cc(Cl)c3o2)cc1,C08847760_decoy,GCR,Decoy,0,-11.6223,-3.12,-3.19,-4.406275121667286
Cc1cc(C)c2oc(-c3ccc(Cl)cc3)c/c(=N\Nc3nc4ccccc4s3)c2c1,C01916299_decoy,GCR,Decoy,0,-8.26285,-2.13,-2.99,-2.935209454266354
Clc1ccc(-c2nc(N/N=C/c3ccc(Br)cc3)c3ccccc3n2)cc1Cl,C09034270_decoy,GCR,Decoy,0,-9.85288,-4.58,-3.37,-4.651948910157902
COc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CC[C@@H](C)C4)sc2c1,C09381964_decoy,GCR,Decoy,0,-10.8684,-2.78,-5.73,-4.379859757101149
Oc1cc(N2CCN(c3ccccc3)CC2)c2ccccc2c1Sc1nc2ccccc2s1,C12376699_decoy,GCR,Decoy,0,-9.66187,-2.14,-3.02,-3.7256699526702257
Oc1ccc(/C=N/n2c(-c3cccc(Br)c3)cs/c2=N\c2ccccc2Cl)cc1,C12603859_decoy,GCR,Decoy,0,-11.4923,-2.76,-3.47,-4.65802231707847
Cc1nn2c(Nc3ccc(Br)cc3)cc(C(C)C)nc2c1-c1ccccc1,C02223515_decoy,GCR,Decoy,0,-9.89473,-3.74,-3.54,-3.9662884430023
CCn1c2ccccc2c2cc(Nc3c4c(nc5ccc(Cl)cc35)CCCC4)ccc21,C09693768_decoy,GCR,Decoy,0,-10.93,-5.13,-1.03,-4.933598661660591
C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C#N)C1,C14273258_decoy,GCR,Decoy,0,-13.0035,-3.2,-5.99,-4.886580446934758
Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)nc2c1,C03087356_decoy,GCR,Decoy,0,-10.7959,-5.18,-2.95,-4.824262780676124
Cc1cc(C)cc(-c2nc3cc(/N=C/C=C/c4cc(Br)ccc4O)ccc3o2)c1,C03034007_decoy,GCR,Decoy,0,-11.3156,-3.27,-2.02,-4.252082859074058
C/C(=N\Nc1nc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Br)cc1,C16663411_decoy,GCR,Decoy,0,-8.89277,-4.94,-3.85,-4.40815450143598
Cc1cc(N2CCC3(CCCCC3)CC2)ccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1,C16955452_decoy,GCR,Decoy,0,-12.3183,-4.78,-0.71,-5.169758002939908
CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2ccc(Cl)cc2)n1,C19820622_decoy,GCR,Decoy,0,-10.6107,-3.56,-2.4,-4.45899528183473
O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2cc(C(F)(F)F)ccc2Cl)n1,C02956196_decoy,GCR,Decoy,0,-9.85157,-8.49,-3.98,-9.465398658404684
CCCNC(=O)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@@H]1c1ccc(C(C)C)cc1,C21539286_decoy,GCR,Decoy,0,-11.653,-2.23,-2.01,-4.416341212152867
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)c(Cl)c2)c1,C33169061_decoy,GCR,Decoy,0,-8.93718,-4.27,-1.69,-4.1671950558289685
S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CCC[C@@H]2[C@@H](c2ccc(Cl)cc2Cl)N1,C33556726_decoy,GCR,Decoy,0,-12.7451,-4.56,-1.86,-4.866611639843167
O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1sc2cccc(Cl)c2c1Cl,C33568958_decoy,GCR,Decoy,0,-7.26672,-3.97,-5.43,-3.1951617355201187
CCSc1nc(Nc2cccc3ccccc23)c2sc3c(c2n1)COC(C)(C)C3,C34773095_decoy,GCR,Decoy,0,-10.5266,-4.23,-4.26,-4.586863058200049
C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C35493998_decoy,GCR,Decoy,0,-7.44709,-2.78,-2.77,-2.832644193545166
CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C/C(=N/O)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12,C36371298_decoy,GCR,Decoy,0,-7.7632,-4.63,-1.13,-3.154657317756908
CC(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)C/C(=N/O)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12,C36371299_decoy,GCR,Decoy,0,-6.72394,-4.62,-1.59,-2.7016097839235944
Clc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1,C39725389_decoy,GCR,Decoy,0,-10.7351,-3.75,-3.54,-4.736523845126687
Cc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1,C39725430_decoy,GCR,Decoy,0,-8.8336,34.3,-2.8,8.884000962414282
Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(Br)cc4)ncnc32)cc1,C39725442_decoy,GCR,Decoy,0,-9.37057,-2.61,-2.61,-3.77867571867636
CSC1=N/C(=N\c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1,C39777821_decoy,GCR,Decoy,0,-6.09601,-3.27,-2.47,-2.95033560015728
C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12,C43867061_decoy,GCR,Decoy,0,-6.9539,-2.24,-2.95,-2.506214659980869
Cc1ccc2oc(-c3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3O)nc2c1,C01881317_decoy,GCR,Decoy,0,-11.8708,-3.87,-3.68,-4.849297695313911
O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1,C08820932_decoy,GCR,Decoy,0,-11.2357,-5.07,-1.65,-4.913195089209807
Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)S1,C16268363_decoy,GCR,Decoy,0,-10.1147,-2.66,-4.25,-4.127998775073723
Oc1ccc(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1-c1nc2ccccc2s1,C03211260_decoy,GCR,Decoy,0,-12.3365,-3.11,-5.59,-4.4360020781162905
Cc1ccc(N2Cc3ccc(C(=O)N/N=C/c4c5ccccc5cc5ccccc45)cc3C2)cc1,C58871944_decoy,GCR,Decoy,0,-9.68016,-5.09,-2.67,-4.255021056983099
Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)o2)cc1,C59137848_decoy,GCR,Decoy,0,-9.61026,-5.16,-2.5,-4.749830351395824
O=c1/c(=C\c2ccccc2O)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1,C59198653_decoy,GCR,Decoy,0,-6.21798,-4.8,-4.87,-2.827410485169971
Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)c1C,C59248722_decoy,GCR,Decoy,0,-10.2879,-4.33,-2.58,-4.314688480416654
Cc1ccc(C)c(N/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c1,C59337035_decoy,GCR,Decoy,0,-9.20405,-4.72,-3.19,-4.320729987844132
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)S2)c1,C27520690_decoy,GCR,Decoy,0,-9.6393,-1.89,-3.22,-3.363791504535224
O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2ccc(I)cc2)o1,C33908414_decoy,GCR,Decoy,0,-11.5707,-6.32,-3.11,-6.487533032646177
Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3)oc2cc1C,C59715933_decoy,GCR,Decoy,0,-11.9186,-1.97,-3.98,-4.268368014201349
Cc1cc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)oc2cc1C,C59717579_decoy,GCR,Decoy,0,-8.42374,-5.0,-5.41,-4.255571334813641
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1,C59718019_decoy,GCR,Decoy,0,-12.1501,-3.28,-1.73,-5.160967199169465
CSc1nc2ccc3nc(Nc4nc5ccc(Br)cc5s4)sc3c2s1,C62007430_decoy,GCR,Decoy,0,-14.4071,14.31,-1.71,-0.0289490938144699
CSc1nc2ccc3nc(Nc4nc5c(C(C)C)cccc5s4)sc3c2s1,C62017514_decoy,GCR,Decoy,0,-13.1168,-3.6,-1.44,-5.266357094347352
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1cn(Cc2ccccc2)c2ccccc12,C18254833_decoy,GCR,Decoy,0,-12.1153,-4.17,-2.68,-4.877558228492292
Cc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c2ccc2ccccc32)cc1,C04129995_decoy,GCR,Decoy,0,-10.4001,-4.48,-4.14,-4.442041862842571
Cn1c(-c2ccccc2)c(/C=N/NC2=C[C@@H]3CC[C@@]2(C)C3(C)C)c2ccccc21,C03299245_decoy,GCR,Decoy,0,-7.05968,-4.57,-1.07,-3.404324587104984
C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1,C04507157_decoy,GCR,Decoy,0,-9.82067,-3.61,-3.91,-4.233715238171159
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccccc1,C03002561_decoy,GCR,Decoy,0,-10.6078,-3.12,-4.56,-4.326158358157095
CSc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc1,C02055699_decoy,GCR,Decoy,0,-8.96468,-1.33,-5.06,-3.200888696173183
COc1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1,C02605487_decoy,GCR,Decoy,0,-9.37606,-2.53,-3.61,-3.781506764021667
CCc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccc(Cl)cc1,C03108485_decoy,GCR,Decoy,0,-10.1664,-8.84,-3.04,-10.926356617981009
Cc1ccc(Nc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1,C11865085_decoy,GCR,Decoy,0,-10.4582,-3.91,-3.88,-4.2894630434976
c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1,C05615109_decoy,GCR,Decoy,0,-9.62898,-1.33,-3.03,-3.258315550358937
COc1cc(Cl)c(C)cc1Nc1c2c(nc3cc(Cl)ccc13)CCCC2,C04924521_decoy,GCR,Decoy,0,-10.5325,-4.38,-2.14,-4.485597403613066
CC(C)(C)Nc1c(/C=C/c2ccccc2)nc2ccc(Br)cn12,C04382474_decoy,GCR,Decoy,0,-10.0015,-2.95,-4.93,-4.32071287651556
c1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccncc3)cc2)cc1,C13798196_decoy,GCR,Decoy,0,-9.6951,8.27,-3.29,-0.4760919894303169
CCN(CC)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@@H]32)cc1,C14461357_decoy,GCR,Decoy,0,-10.4391,-3.5,-1.44,-4.427233661979964
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C14464289_decoy,GCR,Decoy,0,-9.77177,-10.04,-2.75,-9.045354398222404
CC(C)COc1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21,C14464356_decoy,GCR,Decoy,0,-10.2741,-3.25,-3.63,-4.281554824292043
CC(C)COc1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21,C14464359_decoy,GCR,Decoy,0,-9.93257,-3.81,-3.81,-4.34224967514717
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464502_decoy,GCR,Decoy,0,-10.9674,4.5,-2.47,-2.251658066301477
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464505_decoy,GCR,Decoy,0,-10.3401,-11.27,-0.78,-17.04074233124515
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14474967_decoy,GCR,Decoy,0,-10.6517,3.32,-1.09,-3.422180691549451
CC(C)COc1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21,C14475436_decoy,GCR,Decoy,0,-10.5096,-2.66,-1.43,-4.076128166747245
C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14475442_decoy,GCR,Decoy,0,-10.8306,-2.88,-0.06,-4.46636258889559
C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14475443_decoy,GCR,Decoy,0,-11.1136,-4.8,-0.55,-5.369586808722813
C=C(C)COc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21,C14475451_decoy,GCR,Decoy,0,-10.433,-2.63,-0.25,-4.11011192248704
CC[C@@H](C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14475513_decoy,GCR,Decoy,0,-10.4326,24.87,-2.45,5.461532362346902
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14475515_decoy,GCR,Decoy,0,-10.1654,-2.94,-3.69,-4.077381802482227
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549332_decoy,GCR,Decoy,0,-12.4354,11.86,-4.03,-0.205848507096733
C[C@@H](Nc1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2o1,C20429780_decoy,GCR,Decoy,0,-8.88805,-8.48,-0.86,-6.712050449844388
C[C@H](Nc1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2o1,C20429781_decoy,GCR,Decoy,0,-9.12819,-8.35,-2.84,-7.45217989977009
CCN(CC)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2,C20698557_decoy,GCR,Decoy,0,-10.463,-3.12,-4.16,-4.05684516868353
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C20699126_decoy,GCR,Decoy,0,-9.66938,-3.64,-3.25,-4.2830002596810175
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C20699129_decoy,GCR,Decoy,0,-10.2807,-2.1,-0.99,-3.743063450487696
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2,C20699135_decoy,GCR,Decoy,0,-9.97704,-4.65,-1.69,-4.446132629604625
CC[C@@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C20708541_decoy,GCR,Decoy,0,-10.9246,-4.52,-0.25,-4.78219180122423
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2,C20753674_decoy,GCR,Decoy,0,-11.0499,-2.06,-2.16,-3.9027918785644737
C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H]1C[C@H]2CC[C@@H]1C2,C36476369_decoy,GCR,Decoy,0,-10.4249,-3.91,-0.93,-4.848456925009312
COc1c(Br)cc(Cl)cc1N[C@H](C)c1ccc(C)cc1C,C36981859_decoy,GCR,Decoy,0,-9.22727,-8.04,-0.43,-8.988480389431848
FC(F)Oc1c(Br)cc(Cl)cc1NC1CCCCCC1,C36989680_decoy,GCR,Decoy,0,-8.65564,-7.23,-1.39,-8.27465054534235
FC(F)Oc1c(Br)cc(Cl)cc1NC1CCCCCCC1,C36989683_decoy,GCR,Decoy,0,-8.42079,-7.29,-1.79,-8.19221794168884
C[C@@H]1CCCC[C@H]1Nc1cc(Cl)cc(Br)c1OC(F)F,C36989690_decoy,GCR,Decoy,0,-8.94896,-7.71,-4.19,-10.464787809567754
COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4ccccc4c3)[nH]2)cc1,C38975930_decoy,GCR,Decoy,0,-5.69441,-3.47,-1.33,-1.9435785934844616
Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(C)c1Cl,C40913230_decoy,GCR,Decoy,0,-10.4834,-8.46,-3.33,-7.671689908787576
C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H]1C[C@@H]2CC[C@H]1C2,C03221480_decoy,GCR,Decoy,0,-10.5483,-3.43,-0.85,-4.747462839739138
Cc1ccc(C)c(-c2[nH]c(-c3ccc(N(C)C)cc3)nc2-c2ccccc2)c1,C02064245_decoy,GCR,Decoy,0,-10.3533,7.79,-4.76,-0.7951462761679832
CC[C@@H](C)c1ccc(O)c(/N=N/c2ccc(Br)c(Cl)c2)c1,C06391300_decoy,GCR,Decoy,0,-9.35254,-5.11,-1.31,-4.608652594564585
CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1,C05912700_decoy,GCR,Decoy,0,-10.0318,-4.21,-2.47,-4.766764594205213
Cc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccccc2)cc1,C59505742_decoy,GCR,Decoy,0,-9.05233,-3.84,-3.42,-4.227317037465226
c1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1,C13764047_decoy1,GCR,Decoy,0,-9.56126,-5.53,,-3.531454037103336
Cc1ccc(-c2csc3ncnc(Nc4c(C)cc(C)cc4C)c23)c(C)c1,C19951038_decoy,GCR,Decoy,0,-10.3148,-3.99,-2.49,-4.258126166847555
Cc1ccc(-c2csc3ncnc(Nc4ccccc4C(C)C)c23)c(C)c1,C20161868_decoy,GCR,Decoy,0,-9.78192,-3.58,-3.81,-4.421801307677462
CCc1cccc(C)c1Nc1nc(SC)nc2sc3c(c12)CCCC3,C12211692_decoy,GCR,Decoy,0,-10.9553,-7.34,-4.25,-11.392857267225066
O=C1/C(=C/c2ccccc2Cl)S/C(=N\Nc2ccccc2)N1c1ccccc1,C01776436_decoy,GCR,Decoy,0,-5.60422,-2.0,-2.99,-2.078999939483722
C[C@H](Nc1nc(N2CCCCC2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2,C04361345_decoy,GCR,Decoy,0,-6.78888,-3.94,-3.24,-3.126469016785717
Cc1ccc2nc(-c3ccc(/N=C/c4c(O)cc(C)c(Cl)c4C)cc3)oc2c1,C03085001_decoy,GCR,Decoy,0,-10.6694,-2.51,-1.26,-3.605679645883298
COc1cccc(/C=N/c2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c1,C02816603_decoy,GCR,Decoy,0,-10.7429,-3.55,-4.28,-4.441271181479815
COc1ccc(Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1,C02323155_decoy,GCR,Decoy,0,-9.14809,-2.83,-2.76,-3.824730626908091
Clc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)nc2ccccc12,C04803397_decoy,GCR,Decoy,0,-8.32853,-4.45,-2.2,-4.176641476341539
C/C(=N\Nc1nc(-c2ccccc2Cl)nc2ccccc12)c1ccc(Cl)cc1,C04828761_decoy,GCR,Decoy,0,-9.54826,-4.3,-2.67,-4.322396978692473
N#C/C(=N\Nc1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1,C05023473_decoy,GCR,Decoy,0,-11.0645,-9.17,-1.5,-11.6803603171037
Cc1nn2c(Nc3ccc(C(C)C)cc3)c3c(nc2c1-c1ccccc1)CCCC3,C02341065_decoy,GCR,Decoy,0,-10.1508,-3.51,-3.43,-4.179625799079505
CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(C)cc2)n1,C05509615_decoy,GCR,Decoy,0,-10.4492,-2.56,-2.08,-3.93050627427513
Clc1cc(Cl)c(N/N=C(/c2ccccc2)c2ncns2)c(Cl)c1,C05899065_decoy,GCR,Decoy,0,-10.4541,-7.35,-1.98,-9.820481719578613
CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c12,C05906037_decoy,GCR,Decoy,0,-7.71106,-3.05,-1.98,-3.136196914693308
Cc1cc(C)cc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)S2)c1,C05797082_decoy,GCR,Decoy,0,-7.32392,-7.28,-3.38,-6.261982444587518
COc1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2C)c1O,C06200577_decoy,GCR,Decoy,0,-11.3466,-9.42,-4.23,-9.75143870888462
Cc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(C)cc23)cc1,C04193544_decoy,GCR,Decoy,0,-10.0984,-5.89,-3.53,-5.286267377400558
CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21,C06783940_decoy,GCR,Decoy,0,-6.08602,-3.86,-2.3,-3.1085864047260503
CCc1ccc(/C=N\N=c2/nc3ccc(Cl)cc3c(-c3ccccc3)[nH]2)cc1,C06830156_decoy,GCR,Decoy,0,-9.5899,-4.44,-5.58,-4.446962737537742
COc1ccc2sc(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)nc2c1,C10068941_decoy,GCR,Decoy,0,-12.7542,23.81,-0.96,4.169176469552436
Cc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c(C)n1-c1ccc(Cl)cc1,C06266105_decoy,GCR,Decoy,0,-9.36863,-5.98,-1.45,-5.27650618099566
Cc1ccc(Cn2cc(/C=N/N=c3/[nH]c4ccccc4s3)c3ccccc32)cc1,C02594729_decoy,GCR,Decoy,0,-12.101,-8.18,-5.44,-7.675490583827226
S=C=Nc1ccc(-c2csc(Nc3ccnc4cc(Cl)ccc34)n2)cc1,C13222790_decoy,GCR,Decoy,0,-11.4858,-9.37,-2.7,-8.458793158895853
C/C(=N\Nc1cc(C)c2cc(Cl)ccc2n1)c1ccc(N2CCCCC2)cc1,C12534186_decoy,GCR,Decoy,0,-10.3859,8.14,-2.76,-0.8885018295616768
C(=N/N=c1/[nH]c2ccccc2s1)\c1cn(Cc2ccccc2)c2ccccc12,C01859226_decoy,GCR,Decoy,0,-10.0542,-8.63,-5.63,-4.347033015670489
C(=N/N=c1/[nH]c2ccccc2s1)\c1cccn1Cc1cccc2ccccc12,C01268773_decoy,GCR,Decoy,0,-9.30934,-9.01,-3.52,-11.633840677124814
CSc1nc(Nc2ccc(Cl)c(Cl)c2)c(C#N)c(-c2ccc(C)cc2)n1,C19820635_decoy,GCR,Decoy,0,-10.7493,-2.47,-3.11,-3.913407609277306
Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(C)C)cc4)c3)oc2cc1C,C21578487_decoy,GCR,Decoy,0,-9.57738,-3.84,-2.93,-4.245306893007177
Oc1ccc2ccccc2c1/C=N/c1ccc(-c2cnc(-c3ccccc3)nc2)cc1,C17241937_decoy,GCR,Decoy,0,-9.54854,18.22,-4.21,2.8753690802062635
O=c1oc2ccc3ccccc3c2cc1-c1cnc(Nc2ccc(Br)cc2)s1,C25575065_decoy,GCR,Decoy,0,-11.1994,15.89,-0.58,1.8960619025157943
Cc1c(C)n(-c2ccc(F)c(F)c2)c2ncnc(Nc3ccc(C(C)C)cc3)c12,C32960465_decoy,GCR,Decoy,0,-8.81341,-1.61,-1.75,-3.1634817399671307
O=C(/C=C/c1ccccc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl,C06343931_decoy,GCR,Decoy,0,-10.2448,-3.77,-1.62,-4.527666762966999
C[C@@H]1C[C@H](/C=N/Nc2nc3ccccc3s2)[C@H](C)N1c1ccc(Cl)cc1,C38963806_decoy,GCR,Decoy,0,-10.1097,-3.02,,99.0
C[C@@H]1C[C@@H](/C=N/Nc2nc3ccccc3s2)[C@H](C)N1c1ccc(Cl)cc1,C38963810_decoy,GCR,Decoy,0,-10.0658,-5.34,-1.41,-5.799411239590225
C[C@H]1C[C@@H](/C=N/Nc2nc3ccccc3s2)[C@H](C)N1c1ccc(Cl)cc1,C38963812_decoy,GCR,Decoy,0,-10.1911,-6.0,-1.03,-6.26642165336184
O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1,C33568083_decoy,GCR,Decoy,0,-10.8914,-9.11,-3.59,-8.969901569330773
O=C1NC(=N/c2ccc(Cl)cc2)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1,C33568408_decoy,GCR,Decoy,0,-10.1779,-8.52,-3.32,-9.777096721046068
CCCn1c(Nc2cccc3ccccc23)nc2sc3c(c2c1=O)CCCC3,C41394519_decoy,GCR,Decoy,0,-10.7058,-4.48,-2.64,-5.027379579285411
Cc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(Cl)cn12,C04381724_decoy,GCR,Decoy,0,-9.54592,-3.42,-3.43,-4.125190538736347
CN(C)c1ccc(/C=N\c2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1,C48209646_decoy,GCR,Decoy,0,-10.8908,-4.19,-0.77,-4.563427774255468
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)cc1,C05551072_decoy,GCR,Decoy,0,-10.4774,-3.84,-1.59,-4.6859171193055165
Cc1ccc(-n2nc(C)c(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)c2C)cc1C,C59158938_decoy,GCR,Decoy,0,-8.51295,-4.26,-2.11,-3.8470388173501537
Cc1ccc(-n2nc(C)c(/C=N/Nc3cc(Cl)ccc3Cl)c2C)c(C)c1,C59166639_decoy,GCR,Decoy,0,-10.858,-5.71,-2.41,-5.939373638388564
Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)c1,C17081530_decoy,GCR,Decoy,0,-9.95098,-4.52,-5.0,-4.449966063580807
Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)oc2cc1C,C59401291_decoy,GCR,Decoy,0,-10.5262,-2.91,-3.82,-4.334487635175973
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc2cc(Br)ccc2o1,C59417775_decoy,GCR,Decoy,0,-9.26253,-5.05,-3.59,-4.029520639357369
Clc1cccc(-c2ccc(/C=N/c3ccc(-c4nc5ccccc5[nH]4)cc3)o2)c1,C59476834_decoy,GCR,Decoy,0,-11.2755,4.71,,99.0
COc1ccc(-c2csc3nc(C)nc(Nc4c(C)cc(C)cc4C)c23)cc1,C62040037_decoy,GCR,Decoy,0,-10.4086,-3.08,-2.2,-4.344925753904043
COc1ccc(-c2csc3nc(C)nc(Nc4ccc(C)c(Cl)c4)c23)cc1,C62040093_decoy,GCR,Decoy,0,-10.6838,-4.07,-1.13,-4.712413035119335
COc1ccc(Nc2nc(SC)nc3sc4c(c23)CCCC4)cc1Cl,C12211527_decoy,GCR,Decoy,0,-9.05332,-4.05,-2.26,-4.410843295056688
COc1ccc(Cl)cc1Nc1nc(SC)nc2sc3c(c12)CCCC3,C12211729_decoy,GCR,Decoy,0,-10.9755,-2.56,-1.38,-4.382712842155156
CSc1nc(Nc2ccc(N3CCCC3)cc2)c2c3c(sc2n1)CCCC3,C12223328_decoy,GCR,Decoy,0,-11.0731,-3.19,-1.48,-4.614005206977214
Cc1ccc(Sc2ccc(C#N)cc2NC(=O)c2ccc(Cl)cc2Cl)cc1,C03104433_decoy,GCR,Decoy,0,-9.98593,-3.45,-4.02,-4.370993361074131
Cc1ccc2cc(C)c(S[C@@H](C)C(=O)Nc3cccc4ccccc34)nc2c1,C04126487_decoy,GCR,Decoy,0,-10.4984,-8.73,-2.8,-8.0008288187595
Cc1ccc2cc(C)c(S[C@H](C)C(=O)Nc3cccc4ccccc34)nc2c1,C04126489_decoy,GCR,Decoy,0,-10.4211,-7.84,-0.92,-6.9941003330948215
C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1Cl,C02311376_decoy,GCR,Decoy,0,-10.3273,-4.11,-2.17,-4.850897503970715
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2,C04349568_decoy,GCR,Decoy,0,-7.87845,-4.05,-2.26,-3.9492236020497287
Cc1c(/C=N/Nc2nc(-c3ccccc3Cl)cs2)sc2ccccc12,C04365992_decoy,GCR,Decoy,0,-10.1741,-5.95,-2.22,-5.793153421944831
CCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1,C04543846_decoy,GCR,Decoy,0,-6.0107,-3.99,-2.73,-3.17162590343261
Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CCCCCC4)sc2c1,C02081593_decoy,GCR,Decoy,0,-10.4931,-3.98,-6.06,-4.289556318085407
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc2ccccc2c1,C04644442_decoy,GCR,Decoy,0,-11.0057,-5.29,-3.07,-3.486727171873018
CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C\c3ccc(Cl)s3)csc2C1,C04652256_decoy,GCR,Decoy,0,-10.4108,-6.91,-0.41,-8.266221872084886
CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)cc1,C04733829_decoy,GCR,Decoy,0,-10.4949,-3.95,-3.28,-4.904594227070116
C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2ccccc2c1,C04924899_decoy,GCR,Decoy,0,-11.921,-5.31,-0.83,-5.481267913560922
O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1c(Cl)cccc1Cl,C05005610_decoy,GCR,Decoy,0,-9.46177,-8.16,-1.97,-6.908441205552935
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc2ccccc2c1,C05381646_decoy,GCR,Decoy,0,-9.74762,-5.44,-1.25,-5.136615793492141
Cc1ccccc1CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1,C05237578_decoy,GCR,Decoy,0,-9.5053,-4.4,-1.92,-4.449680178178854
O=C(N/N=C/c1cccc(Cl)c1Cl)c1sc2ccccc2c1Cl,C05685476_decoy,GCR,Decoy,0,-9.99849,-6.66,-1.01,-6.033885130448584
CC(=C/c1ccccc1)/C=C1\SC(Nc2cccc(Cl)c2Cl)=NC1=O,C01754034_decoy,GCR,Decoy,0,-9.57582,-8.64,-4.33,-9.153124104512804
O=C1O[C@@](c2ccccc2)(c2ccc(-c3ccccc3O)cc2)c2ccccc21,C04706144_decoy,GCR,Decoy,0,-9.94344,-4.06,-1.78,-4.411351343400093
Cc1ccc(C2=Nc3ccccc3N=C(c3ccc(Br)cc3)C2)c(O)c1,C06720719_decoy,GCR,Decoy,0,-6.66481,-4.38,-4.26,-2.753858209129751
FC(F)(F)c1cnc(NN=C2CCCC/C2=C\c2ccccc2)c(Cl)c1,C06982316_decoy,GCR,Decoy,0,-9.56779,-3.96,-0.57,-4.207740688263836
CSc1cccc2sc(Nc3nc4ccc5ccccc5c4s3)nc12,C10068838_decoy,GCR,Decoy,0,-11.2321,-7.21,-4.2,-6.861890870602642
CSc1ccc2nc(Nc3nc(-c4cc(C)ccc4C)cs3)sc2c1,C10068875_decoy,GCR,Decoy,0,-11.6904,-2.86,-0.88,-4.801959397233171
CSc1ccc2nc(Nc3nc(-c4ccc(C)cc4C)cs3)sc2c1,C10068877_decoy,GCR,Decoy,0,-12.8795,-3.25,-1.3,-5.419539782123993
CSc1ccc2nc(Nc3nc(-c4ccc(C)c(C)c4)cs3)sc2c1,C10068880_decoy,GCR,Decoy,0,-10.4279,-2.16,-0.36,-4.046185083618824
Cc1c(/C=N\Nc2nc(-c3ccccc3Cl)cs2)sc2ccccc12,C12367545_decoy,GCR,Decoy,0,-10.1937,-8.53,-1.41,-10.201552615383711
Cn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccccc3)cc12,C01149348_decoy,GCR,Decoy,0,-9.8759,-6.16,-2.51,-5.228861379270993
Cl/C(=C\c1ccccc1)c1nc2ccc(Br)cn2c1NC1CCCC1,C04873027_decoy,GCR,Decoy,0,-9.60039,-9.23,-4.67,-8.731798858731386
C/C(=C\c1nc(C)nc(O)c1Cc1cc(C)ccc1C)c1ccc(Cl)cc1,C16848531_decoy,GCR,Decoy,0,-10.979,-4.06,-3.47,-4.881719364498254
Cc1nc(O)c(Cc2ccc(Cl)cc2)c(/C=C/c2ccc(Br)cc2)n1,C16848581_decoy,GCR,Decoy,0,-10.2453,-2.01,-1.73,-3.6238756004802064
Cc1cccc(C)c1/N=C1\NC(=S)N(c2cccc(Cl)c2)C12CCCC2,C05427330_decoy,GCR,Decoy,0,-10.2182,5.65,-1.05,-2.3551533810530585
N#CC1=C(c2ccccc2)NC(c2ccccc2)=C(C#N)C1c1ccc2ccccc2c1,C19815818_decoy,GCR,Decoy,0,-4.11808,-4.33,-3.75,-2.7431890823277105
c1ccc(C2(c3ccccc3)O[C@@H](c3ccc4cccnc4c3)Nc3ccccc32)cc1,C20436278_decoy,GCR,Decoy,0,-9.83527,-2.92,-2.41,-3.863046669169413
Fc1ccc(Nc2nc(-c3ccc(-c4ccc(Br)cc4)o3)cs2)cc1,C35079894_decoy,GCR,Decoy,0,-10.9523,-4.46,-1.16,-4.72962204389211
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccccc1Cl,C05550966_decoy,GCR,Decoy,0,-10.2556,-5.3,-0.82,-4.381331949460606
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(Cl)cc1Cl,C05551100_decoy,GCR,Decoy,0,-9.88242,-4.25,-3.11,-3.736123897560264
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(Br)cc1,C08821174_decoy,GCR,Decoy,0,-9.98673,-3.81,-2.28,-3.95450623363744
O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1cccc2ccccc12,C05551546_decoy,GCR,Decoy,0,-8.95932,-4.73,-6.57,-3.793537903658109
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3Br)o2)cc1Cl,C17090864_decoy,GCR,Decoy,0,-9.5523,5.07,-2.22,-2.0646352033944395
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)cc1,C12438653_decoy,GCR,Decoy,0,-9.85936,-8.76,-2.43,-7.609359639428734
Oc1c(Br)cc(Br)cc1/N=N/c1ccccc1Cl,C06527324_decoy,GCR,Decoy,0,-9.22731,-7.34,-0.29,-5.731961724926786
Cc1c(Cl)cccc1/N=N/c1cc(Br)cc(Br)c1O,C06473137_decoy,GCR,Decoy,0,-9.80166,-8.02,-1.01,-8.148992769435072
CCc1cc(Br)c(O)c(/N=N/c2ccc(Br)cc2)c1,C06398344_decoy,GCR,Decoy,0,-8.97119,-0.98,-4.33,-2.824133183868585
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1,C59117565_decoy,GCR,Decoy,0,-10.9419,-3.84,-4.23,-5.005773294131692
Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1,C59428156_decoy,GCR,Decoy,0,-8.68766,-3.96,-4.74,-3.924478257992048
CCSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1,C59502671_decoy,GCR,Decoy,0,-11.0042,-2.07,-3.71,-3.866691407286848
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccccc1Cl,C35647382_decoy,GCR,Decoy,0,-10.2987,-2.72,-2.95,-3.716351912784472
COc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccccc2)cc1,C04854735_decoy,GCR,Decoy,0,-10.098,-2.58,-4.52,-3.967264544731204
Cc1ccc(N[P@](=O)(/C=C2\N(C)c3ccccc3C2(C)C)c2ccccc2)cc1C,C32690929_decoy,GCR,Decoy,0,-7.72894,-3.87,-2.74,-3.5674475841191016
Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Br)cc3)N=C(O)CCN21,C02295406_decoy,GCR,Decoy,0,-9.8414,-3.82,-2.52,-4.063623768904914
CC(C)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1,C67339379_decoy,GCR,Decoy,0,-8.88997,-4.18,-1.94,-4.103632859059913
Cc1ccc(CSc2nc(NC3CC3)c3sc4ccccc4c3n2)cc1,C04092637_decoy,GCR,Decoy,0,-10.3689,-4.89,-0.9,-5.363079313069352
CC(C)Nc1c(-c2ccc(Cl)cc2)cn(C(C)C)c1-c1ccc(Cl)cc1,C04184006_decoy,GCR,Decoy,0,-10.0914,-1.4,-2.58,-1.6452538719372083
c1ccc(Sc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1,C03669287_decoy,GCR,Decoy,0,-6.53469,-3.74,-1.47,-3.128384593420541
Cc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1,C02185872_decoy,GCR,Decoy,0,-9.33354,-5.2,-3.64,-4.417808731869944
Cc1ccc(Nc2nc(C(F)(F)F)c(-c3cccc(Cl)c3)s2)c(C)c1,C02188972_decoy,GCR,Decoy,0,-8.98416,-8.05,-4.8,-7.390857614206775
CC(C)(C)c1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)cc1,C04410380_decoy,GCR,Decoy,0,-11.2308,-7.98,-2.25,-8.25489804252084
O=C(NC1CCCCCCC1)c1cc(Sc2ccccc2Cl)nc2ccccc12,C03655134_decoy,GCR,Decoy,0,-10.7126,-3.57,-0.73,-4.530600139552251
CCc1ccc(NC2=C3C[C@H](C)CC=C3N(c3ccc(CC)cc3)C2=O)cc1,C01423034_decoy,GCR,Decoy,0,-9.82203,-4.51,-4.27,-4.530865056982541
c1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccc3ccccc3c2)cc1,C02057911_decoy,GCR,Decoy,0,-6.96574,-6.25,-2.35,-4.029602578168648
Cc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1,C02270791_decoy,GCR,Decoy,0,-9.67859,-3.83,-4.55,-4.174482815006384
O=C1C2=C(Nc3ccccc3S[C@H]2c2ccc(-c3ccccc3)cc2)c2ccccc21,C02429565_decoy,GCR,Decoy,0,-9.42531,-4.54,-2.03,-3.896222485148348
Cc1cccc(C)c1Nc1c(-c2ccc(-c3ccccc3)s2)nc2ccccn12,C04733518_decoy,GCR,Decoy,0,-9.80268,-4.4,-6.97,-4.214911545740763
C/C(=C\c1ccccc1)c1nc2ccc(Cl)cn2c1Nc1c(C)cccc1C,C04733564_decoy,GCR,Decoy,0,-8.64051,-3.32,-2.1,-3.946967255139991
CCCc1sc(Nc2ccc(C)cc2)nc1-c1ccc(Cl)c(Cl)c1,C03665336_decoy,GCR,Decoy,0,-9.63123,-3.5,-4.55,-4.124574688661346
Clc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1Cl,C04054773_decoy,GCR,Decoy,0,-10.125,-6.78,-4.94,-8.156142884444757
CC(C)C1=CC(=Nc2cc(C(C)C)c(O)c(C(C)C)c2)C=C(C(C)C)C1=O,C05189485_decoy,GCR,Decoy,0,-10.7242,-3.13,-1.92,-4.786171533668526
Brc1ccc(/C(=N/Nc2ccccc2)Oc2ccccc2)cc1,C05353505_decoy,GCR,Decoy,0,-9.13451,-6.05,-0.86,-5.688616659106022
CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)c2C#N)C1,C02736586_decoy,GCR,Decoy,0,-9.66501,14.52,-2.6,1.9033222783281856
Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1,C05540118_decoy,GCR,Decoy,0,-8.98667,-5.42,-2.68,-5.211002412351956
Cc1ccc(Nc2ncnc3scc(-c4ccc(C(C)C)cc4)c23)cc1Cl,C05556655_decoy,GCR,Decoy,0,-11.0083,-4.02,-3.95,-4.893527830769491
c1ccc(C2=NN(CNc3cccc4ccccc34)[C@@H](c3ccccc3)C2)cc1,C05391010_decoy,GCR,Decoy,0,-8.34917,-4.96,-1.87,-5.691049374826944
O=C(c1ccc(-c2ccccc2)cc1)c1sc(Nc2ccccc2)c2c1CCC2,C06258032_decoy,GCR,Decoy,0,-10.4509,-5.09,,99.0
Clc1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1,C09195493_decoy,GCR,Decoy,0,-10.3836,-6.99,-0.97,-6.317862399431828
Clc1ccc(Nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cs2)cc1,C02670993_decoy,GCR,Decoy,0,-12.464,-4.65,-3.76,-5.4283385640444095
CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1,C12719875_decoy,GCR,Decoy,0,-5.99834,-4.02,-1.24,-2.634007024847893
Oc1ccc(Cl)cc1[C@@H](c1ccccc1)n1c(-c2ccccc2)nc2ccccc21,C05635479_decoy,GCR,Decoy,0,-8.82014,-4.3,-3.48,-4.165653772615869
Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc(Oc4ccccc4)cc3)nc12,C06346436_decoy,GCR,Decoy,0,-11.9426,-6.17,-4.1,-5.52173260373548
Cc1ccc(N(O)C2=CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1,C05330733_decoy,GCR,Decoy,0,-7.75112,-4.69,-5.76,-3.726263767595592
C/C(=C\c1ccccc1)c1nc2ccc(Br)cn2c1Nc1c(C)cccc1C,C04789120_decoy,GCR,Decoy,0,-9.45775,-2.86,-3.82,-3.806387715720436
C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549377_decoy,GCR,Decoy,0,-12.9214,-3.64,-2.05,-5.424076136023964
C=C(C)COc1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@H]21,C14549384_decoy,GCR,Decoy,0,-11.3608,-2.04,-3.29,-4.051092897112735
Clc1cccc(-c2ccc(/C=N/Nc3ccc(I)cc3)o2)c1,C16399057_decoy,GCR,Decoy,0,-9.59311,-8.14,-1.65,-7.051350345030065
CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1,C20176174_decoy,GCR,Decoy,0,-12.3028,-2.7,-1.38,-4.463384926416094
CCc1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,C31854550_decoy,GCR,Decoy,0,-9.03518,-9.3,-1.0,-7.003550518453501
CCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2sccn12,C04789233_decoy,GCR,Decoy,0,-10.3897,-6.83,-2.9,-10.086159677381596
CSc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1,C39732668_decoy,GCR,Decoy,0,-6.4311,-2.52,-2.71,-2.860252312123423
Clc1ccc(/C=C(/OSc2ccccc2)c2nc3ccccc3[nH]2)cc1,C44550592_decoy,GCR,Decoy,0,-9.58993,-5.33,-2.29,-5.41374898886554
S=P(N/N=C/c1ccccc1Cl)(c1ccccc1)c1ccccc1,C03222821_decoy,GCR,Decoy,0,-7.68649,-7.38,-2.73,-10.64718558493023
O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1c2ccccc2cc2ccccc12,C05610650_decoy,GCR,Decoy,0,-11.3853,-4.49,-6.86,-4.519804739022774
S=C(Nc1ccccc1)c1ccc(/N=C/c2c3ccccc3cc3ccccc23)cc1,C20246763_decoy,GCR,Decoy,0,-5.34183,-4.14,-4.89,-2.8213189821774765
CC(=O)/C(=N\Nc1ccc(Br)cc1)[C@@H](C)c1ccccc1Cl,C59120436_decoy,GCR,Decoy,0,-9.00532,-7.73,-1.92,-8.998616440361667
Cc1ccc(Cl)cc1/N=C(/Nc1cc(Cl)ccc1C)S[C@@H]1C=CCCC1,C59225464_decoy,GCR,Decoy,0,-11.173,-3.78,-2.97,-4.94542831387257
Cc1cc(C)c(N=C(Nc2c(C)cc(C)cc2C)S[C@H]2C=CCCC2)c(C)c1,C59225467_decoy,GCR,Decoy,0,-10.9421,-4.79,-3.02,-5.178196700588221
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1,C59384089_decoy,GCR,Decoy,0,-8.71499,-7.17,-4.24,-7.744098336151841
Oc1ccc2ccccc2c1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1,C05604458_decoy,GCR,Decoy,0,-8.99743,-7.8,-2.22,-4.608609241928103
CSc1nc(Nc2ccc(C(F)(F)F)cc2Cl)c2c3c(sc2n1)CCCC3,C62039832_decoy,GCR,Decoy,0,-8.70047,-4.23,-3.5,-4.222484742421014
Cc1ccc(-c2csc3ncnc(Nc4cc(C(F)(F)F)ccc4Cl)c23)c(C)c1,C19958904_decoy,GCR,Decoy,0,-9.75577,-1.29,-4.17,-3.4271480358706463
CSc1nc(Nc2ccc(C(C)C)cc2)c2c3c(sc2n1)CCCC3,C12211627_decoy,GCR,Decoy,0,-10.5675,-3.36,-2.32,-4.464164257539844
O=C(/N=c1\[nH]c2ccccc2s1)C(Cc1ccccc1)Cc1ccccc1,C01442481_decoy,GCR,Decoy,0,-10.6398,-9.02,-2.12,-12.883658828009638
CC[C@@H](C)c1ccc2nc(NC(=O)/C=C/c3cccc(Cl)c3)sc2c1,C65004674_decoy,GCR,Decoy,0,-10.2965,5.54,-1.54,-1.874413222254072
CC(C)c1cc(C(C)C)c(C(C)C)cc1/N=C/c1cc(Cl)cc(Cl)c1O,C02158838_decoy,GCR,Decoy,0,-10.7605,-1.74,-3.1,-3.953551957272434
Cc1c(Cl)c(C)c(/C=N/c2cccc(Cl)c2Cl)c(O)c1Br,C03079617_decoy,GCR,Decoy,0,-10.1887,-9.01,-1.78,-7.653138379877534
Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)cc2Cl)c(O)c1Br,C03114096_decoy,GCR,Decoy,0,-11.5635,-2.9,-3.75,-4.369389103272734
Cc1cc(C)n2c(Nc3c(C)cccc3C)c([C@@H](C)c3ccccc3)nc2c1,C04156433_decoy,GCR,Decoy,0,-9.41012,-4.56,-4.23,-4.326604856200164
CCc1ccc(C2=C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1,C02916014_decoy,GCR,Decoy,0,-10.0653,-3.08,-3.79,-3.8648020443300415
CN(C)c1ccc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1,C04737588_decoy,GCR,Decoy,0,-10.6802,-4.33,-2.95,-4.908819849148938
CCc1cc2c(cc1/C(C)=N/N=C/c1ccccc1O)C(C)(C)CCC2(C)C,C04812075_decoy,GCR,Decoy,0,-11.1368,-2.56,-2.02,-4.08515773203147
Clc1ccc(-c2nc3cc(NCc4cccs4)ccc3o2)c(Cl)c1,C05394913_decoy,GCR,Decoy,0,-10.9075,-8.89,-11.21,-7.542084734628291
CC(C)(C)c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1,C06022951_decoy,GCR,Decoy,0,-11.1746,-4.67,-1.58,-4.558234504282493
CSc1cccc(Nc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c1,C09527115_decoy,GCR,Decoy,0,-10.7147,-3.7,-1.94,-4.7935262846494
CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1,C12719877_decoy,GCR,Decoy,0,-10.8162,-3.07,-1.15,-3.95090076481289
Cc1cc(NC(=O)/C=C/c2ccc(CC(C)C)cc2)ccc1Br,C12954018_decoy,GCR,Decoy,0,-10.3698,-4.81,-0.98,-5.673605450920234
Brc1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1,C13763822_decoy,GCR,Decoy,0,-10.4174,-3.17,-2.93,-4.131056415947478
CCN(CC)c1ccc([C@H]2Nc3c(ccc4ccccc34)[C@H]3C=CC[C@H]32)cc1,C14461354_decoy,GCR,Decoy,0,-10.2978,2.44,-2.72,-3.3325736929363567
CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464284_decoy,GCR,Decoy,0,-10.3062,-3.09,-0.99,-4.24862403071912
CCCCOc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21,C14464430_decoy,GCR,Decoy,0,-10.1301,-10.1,-0.18,-17.279638652206046
CCCCOc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21,C14464434_decoy,GCR,Decoy,0,-10.034,-3.82,-3.52,-4.430934539207555
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14475390_decoy,GCR,Decoy,0,-10.5291,-3.88,-3.97,-4.620489114857737
C=C(C)COc1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21,C14475452_decoy,GCR,Decoy,0,-10.5774,-3.79,-2.47,-4.677139909650087
CCCCOc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@H]21,C14475475_decoy,GCR,Decoy,0,-10.1477,-3.78,-0.82,-4.634080156378618
CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549335_decoy,GCR,Decoy,0,-11.626,-3.49,-4.45,-4.617865355651149
CCC[C@@H]1C=C([C@H](C#N)Nc2ccc(Br)cc2)c2ccccc21,C16851594_decoy,GCR,Decoy,0,-9.72763,-2.12,-0.41,-3.886584233539671
CCC[C@@H]1C=C([C@@H](C#N)Nc2ccc(Br)cc2)c2ccccc21,C16851596_decoy,GCR,Decoy,0,-9.64737,-3.89,-1.81,-4.664957832122116
CCC[C@H]1C=C([C@@H](C#N)Nc2ccc(Br)cc2)c2ccccc21,C16851597_decoy,GCR,Decoy,0,-9.54328,-3.28,-1.88,-4.404317614984323
O=C(/C(=C\c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccc(O)cc1,C17421652_decoy,GCR,Decoy,0,-9.84435,-4.82,-3.28,-4.832871702894589
CCOc1ccc(/C=C2/C[C@H]3[C@H]4CC[C@@H]5CCCC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1,C20176176_decoy,GCR,Decoy,0,-11.1916,-4.75,-1.58,-4.80661518158196
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2,C20698946_decoy,GCR,Decoy,0,-10.7795,-10.54,-1.56,-17.118665698255377
C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2,C20699022_decoy,GCR,Decoy,0,-11.1035,-10.87,-3.92,-13.243385814837954
CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20708362_decoy,GCR,Decoy,0,-10.5154,3.53,-0.89,-2.4113054370552285
C=C(C)COc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@@H]1CC=C[C@@H]21,C20708446_decoy,GCR,Decoy,0,-10.1486,-5.31,-2.64,-4.7093130085371735
CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2,C20753677_decoy,GCR,Decoy,0,-11.454,-4.72,-3.19,-5.099559533351124
Cc1ccc(C)c(/C=C2\C[C@@H](C(C)(C)C)Cc3c2[nH+]c2ccccc2c3C(=O)[O-])c1,C21486346_decoy,GCR,Decoy,0,-4.22629,-3.03,-3.85,-1.971824629017148
Cc1cccc(/N=C2\NC(=S)N(c3ccccc3Cl)C23CCCC3)c1,C05813153_decoy,GCR,Decoy,0,-9.63414,-5.83,-1.95,-4.700470932204431
Clc1ccccc1-c1ccccc1/C=N/Nc1c(Cl)cncc1Cl,C28571549_decoy,GCR,Decoy,0,-9.17775,-8.73,-3.31,-8.593205935607072
Cc1cccc(C)c1Nc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12,C35157201_decoy,GCR,Decoy,0,-9.02789,-3.37,-2.11,-3.927536019866576
C[C@H]1CCCC[C@@H]1Nc1cc(Cl)cc(Br)c1OC(F)F,C36989689_decoy,GCR,Decoy,0,-8.98388,-7.8,-0.9,-7.883003356342637
C[C@H]1CCCC[C@H]1Nc1cc(Cl)cc(Br)c1OC(F)F,C36989691_decoy,GCR,Decoy,0,-8.88244,-7.35,-1.45,-9.46911199120827
C[C@H]1CCC[C@@H](Nc2cc(Cl)cc(Br)c2OC(F)F)C1,C36989695_decoy,GCR,Decoy,0,-8.90046,-7.42,-0.84,-7.718071290698993
CC(C)Oc1ccc([C@H](C)Nc2ccc(Br)cc2Cl)cc1,C37392221_decoy,GCR,Decoy,0,-9.28542,-7.55,-1.0,-11.552588655490409
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C[C@@H](O)[C@]45O[C@H]4CCC[C@]5(C)[C@@H]3CC[C@]12C,C05037545_decoy,GCR,Decoy,0,-12.4913,-4.32,-1.96,-5.371508955032977
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@]45O[C@H]4CCC[C@]5(C)[C@@H]3CC[C@@]21C,C05037546_decoy,GCR,Decoy,0,-11.86,18.14,-1.33,2.0798507366336056
C(=N/c1ccc2[nH]c3ccc(/N=C/c4ccccc4)cc3c2c1)\c1ccccc1,C03128813_decoy,GCR,Decoy,0,-9.37034,-2.21,-4.41,-3.484219975944656
O=C(Nc1ccc(SC(F)(F)F)cc1)c1sccc1Br,C48783224_decoy,GCR,Decoy,0,-8.57303,-4.22,-0.9,-4.367686295514437
CC[C@H](C)c1ccc(O)c(/N=N/c2ccc(I)cc2)c1,C06394968_decoy,GCR,Decoy,0,-8.71562,-3.44,-2.55,-3.37629399372461
C/C(=N\N=c1/[nH]c(-c2ccc(Br)cc2)cs1)c1ccc2ccccc2c1,C05910272_decoy,GCR,Decoy,0,-9.5716,-3.51,-7.69,-3.9318680560627857
Clc1cccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)c1,C59793332_decoy,GCR,Decoy,0,-10.8675,-7.93,-1.54,-7.355089886025319
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C59961012_decoy,GCR,Decoy,0,-10.9476,-4.25,-2.64,-4.602371776584313
CSc1nc(NCc2ccccc2Cl)c2c3c(sc2n1)CCCC3,C12211396_decoy,GCR,Decoy,0,-10.8804,-4.13,-1.24,-4.709766028859218
c1ccc(-c2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1,C13764047_decoy2,GCR,Decoy,0,-6.23129,-4.85,,-3.528323224412967
Brc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccccc2)cc1,C13764821_decoy,GCR,Decoy,0,-7.45374,-3.37,-2.59,-3.1795036851577674
CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(=O)n(N)c(-c5ccccc5)nc4c23)CO1,C02117830_decoy,GCR,Decoy,0,-6.23583,-3.99,-2.69,-2.5138959547607977
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccc(Cl)cc3)c3nc4ccccc4nc23)c1,C02408876_decoy,GCR,Decoy,0,-8.81649,-4.24,-4.94,-4.217807226410057
Cc1ccccc1/C=N/n1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21,C02417894_decoy,GCR,Decoy,0,-5.76371,-2.48,-3.73,-2.261863837203579
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1,C00713578_decoy,GCR,Decoy,0,-8.88895,-7.33,-5.04,-9.714323363027257
Cc1ccc(NC(=O)c2sc3nc(-c4cc5cc(Cl)ccc5oc4=O)[nH]c(=O)c3c2C)c(C)c1,C09663383_decoy,GCR,Decoy,0,-11.9269,-5.37,-1.8,-5.12229634411034
O=C(N/N=C\c1cc(Cl)cc(Br)c1O)[C@H]1COc2cc3ccccc3cc2O1,C12362633_decoy,GCR,Decoy,0,-10.363,-7.89,-2.84,-8.75324065675985
Nc1nc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc2sc3c(c12)CCCCC3,C12938914_decoy,GCR,Decoy,0,-12.3696,-2.62,-2.72,-4.424410838068902
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c(cccc31)C(C)(C)CC21CCCCC1,C14162283_decoy,GCR,Decoy,0,-6.29525,-3.56,-1.01,-1.8216612099062977
O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc(-c2nc3ccccc3[nH]2)cc1,C15733700_decoy,GCR,Decoy,0,-10.8257,26.97,-1.77,7.498029037670483
O=C1NC(=O)c2c(NC(=O)c3cc(-c4ccc(Br)cc4)nc4ccccc34)cccc21,C03372452_decoy,GCR,Decoy,0,-7.65947,-2.1,-3.52,-2.597143223051135
Cc1cccc(NC(=O)c2ccc(N3C(=O)N4CCc5c([nH]c6ccccc56)[C@]4(C)C3=O)cc2)c1C,C02109205_decoy,GCR,Decoy,0,-7.60258,-0.45,-1.54,-2.2177279524892595
CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1,C16162064_decoy,GCR,Decoy,0,-9.59367,-2.92,-3.04,-3.87020700511793
Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)c1,C16255558_decoy,GCR,Decoy,0,-11.0665,-7.41,-3.06,-8.970026773352801
Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)Nc3ccc(Br)cc3F)nc12,C02479486_decoy,GCR,Decoy,0,-10.2112,-10.28,-1.91,-8.362059382813161
Cc1ccccc1-n1c(SCc2nc(N)c3ccccc3n2)nc2cc(Cl)ccc2c1=O,C18329694_decoy,GCR,Decoy,0,-9.35412,-5.0,-3.49,-4.390245897787756
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2ccc3c(c2)c2ccccc2n3C)C2=C(CCCC2=O)N1,C19832272_decoy,GCR,Decoy,0,-5.74286,-2.65,-2.56,-2.514491896813557
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1[N+](=O)[O-],C21241563_decoy,GCR,Decoy,0,-10.6888,-2.65,-1.75,-3.803058807918605
O=C(NC(=S)/N=c1\[nH]c2ccc(N3CCOCC3)cc2s1)c1ccc(Br)cc1,C32127120_decoy,GCR,Decoy,0,-12.0766,-7.95,-0.94,-8.209835910161154
Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c1C,C33275997_decoy,GCR,Decoy,0,-10.8338,-2.92,-2.28,-4.330581272787237
O=C(Nc1nnc(-c2ccc(Br)cc2)s1)[C@H]1CCCN1C(=O)NC1CCCCC1,C35724740_decoy,GCR,Decoy,0,-9.32838,20.54,-1.78,4.362534886168974
Cc1cc(=O)n2c(C(=O)Nc3ccc(F)c(Cl)c3)c(C(=O)Nc3cccc(C)c3C)sc2n1,C02888158_decoy,GCR,Decoy,0,-6.6947,-3.32,-5.08,-2.9580106864858693
O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1C=C(c2ccc3c4c(cccc24)CC3)N=N1,C38613265_decoy,GCR,Decoy,0,-11.0054,-10.48,-2.58,-8.182181444127783
O=C1C[C@@H](c2ccco2)C[C@H]2[C@H]1C(Nc1cc(Cl)cc(Cl)c1)=NN2c1nc2ccccc2[nH]1,C38741904_decoy,GCR,Decoy,0,-8.05212,-2.87,-3.77,-2.8707377543656847
O=C1C[C@@H](Br)Nc2c1n(Cl)c(=O)c1cc3c(-c4ccccc4O)cccc3nc21,C39454175_decoy,GCR,Decoy,0,-11.0993,-3.52,-2.42,-3.805745667934308
CN1c2ncnc(Cl)c2/N=C(\I)Cc2cc(-c3ccccc3O)cc(O)c21,C39479410_decoy,GCR,Decoy,0,-11.1217,-1.27,-0.83,-2.951925715142713
CN1c2ncnc(Cl)c2N=C(c2ccccc2O)Cc2cc(F)cc(-c3ccccc3O)c21,C39479868_decoy,GCR,Decoy,0,-10.4795,-3.51,-1.25,-3.8785275299345496
O=c1c2cc(-c3ccccc3O)c(O)cc2nc2n1CCc1c-2n(-c2ccccc2)c2ccccc12,C39541568_decoy,GCR,Decoy,0,-10.4082,-4.47,-4.91,-4.259184594365523
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)(C)C)cc2)N([C@@H]2CCS(=O)(=O)C2)C3=O)c1,C38702105_decoy,GCR,Decoy,0,-5.75803,-3.12,-3.36,-2.6526538861654547
Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)(C)C)cc2)N([C@H]2CCS(=O)(=O)C2)C3=O)c1,C40548430_decoy,GCR,Decoy,0,-5.25201,9.57,-3.88,1.4133197396117063
Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4ccc(Cl)cc4Cl)c(C)c32)c1,C40811304_decoy,GCR,Decoy,0,-11.861,-4.7,-2.71,-5.436972092018351
Cc1cccc(C(=O)N/N=C2\CCCc3oc(C(=O)Nc4cc(Cl)ccc4Cl)c(C)c32)c1,C40811374_decoy,GCR,Decoy,0,-11.8116,-2.69,-6.19,-4.366074244606132
Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Br)cc1)CCC2,C40811797_decoy,GCR,Decoy,0,-11.0647,-1.56,-2.37,-4.231756356440404
Cc1c(C(=O)Nc2ccccc2F)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2,C40813527_decoy,GCR,Decoy,0,-11.6295,-4.3,-1.85,-4.939152022698874
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2cccs2)CCC3)c(Br)c1,C40823755_decoy,GCR,Decoy,0,-10.3188,-9.87,-3.98,-9.147012502440306
Cc1ccc(C)c(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)c1,C40825803_decoy,GCR,Decoy,0,-11.5762,-3.88,-3.78,-4.678990455440202
Cc1cccc(N2CCN(C(=O)CSc3nc(N)c4c5c(sc4n3)C[C@H](C)CC5)CC2)c1,C45638096_decoy,GCR,Decoy,0,-7.98316,-4.19,-3.23,-3.797152003500448
Nc1cc(-c2nnnn2-c2ccc(Br)cc2Br)ccc1Br,C49185989_decoy,GCR,Decoy,0,-9.98628,-6.15,-0.6,-6.80798579775751
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1,C08919993_decoy,GCR,Decoy,0,-10.7179,-2.54,-0.79,-4.285784911573003
N#Cc1c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)sc2c1CCCC2,C00999027_decoy,GCR,Decoy,0,-11.5661,-2.51,-2.58,-4.765628045164187
O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2,C03011192_decoy,GCR,Decoy,0,-10.1105,26.93,-0.45,6.545169969179946
O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2,C03011190_decoy,GCR,Decoy,0,-10.2228,-12.4,-2.38,-18.028823234308938
Cc1ccc(C)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)c1,C03012261_decoy,GCR,Decoy,0,-9.84899,-3.81,-2.02,-4.137636027871877
Cc1ccc(C)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c1,C03012263_decoy,GCR,Decoy,0,-10.1985,-3.89,-3.12,-4.302682226167448
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)N(c2ccc(Br)cc2)C3=O)cc1,C08595548_decoy,GCR,Decoy,0,-11.5349,-3.61,-1.73,-4.397435835633246
Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)c(C)c1,C03012269_decoy,GCR,Decoy,0,-8.82597,-4.25,-2.95,-4.325779533620568
CN1C(=O)C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cc(Cl)c(O)c(Cl)c1,C33407540_decoy,GCR,Decoy,0,-10.4598,-3.22,-4.73,-3.944157541529031
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O,C59305435_decoy,GCR,Decoy,0,-10.4434,-4.7,-2.62,-5.276636861811973
C#CCn1/c(=N/C(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21,C13139499_decoy,GCR,Decoy,0,-11.6417,-5.87,-1.07,-6.027959472486368
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C3\C[C@@H](c4ccc(C)s4)Sc4ccccc4N3)C2=O)c1,C20899183_decoy,GCR,Decoy,0,-7.60415,-3.12,-5.2,-2.856849834919531
N#Cc1c(NC(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)sc2c1CCCC2,C03336345_decoy,GCR,Decoy,0,-10.3223,-4.0,-3.31,-4.94432563637316
Nc1c(C(=O)c2ccccc2)oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12,C03938515_decoy,GCR,Decoy,0,-8.47779,-4.22,-2.85,-4.02153782281234
COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2,C04142580_decoy,GCR,Decoy,0,-11.7179,-2.88,-2.39,-5.204461136814206
Nc1c(C(=O)c2ccc(Cl)cc2)oc2nc3c(c(-c4ccc(Cl)cc4)c12)CCc1ccccc1-3,C02180955_decoy,GCR,Decoy,0,-7.38808,8.0,-3.05,0.1588472835820874
CC(C)(C)c1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C1\C(=O)Nc2ccc(Br)cc21,C00653274_decoy,GCR,Decoy,0,-10.2465,-3.51,-0.77,-3.688951451177939
CC(C)(C)[C@H]1CC[C@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1,C08426320_decoy,GCR,Decoy,0,-6.24904,-4.8,-4.34,-3.505174876075671
Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4ccc(Cl)cc4)c(N)c23)cc1,C08441404_decoy,GCR,Decoy,0,-5.34387,-3.86,-4.88,-2.7182372432667448
CC(CO)(CO)/N=C1\C=CC2=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N4C2=C1,C02295375_decoy,GCR,Decoy,0,-6.52117,3.95,-1.47,-0.3596651736301099
Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1C,C08857544_decoy,GCR,Decoy,0,-6.83188,-5.24,-3.44,-3.760886916955587
O=C(Nc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CCC[C@H]21)c1cc(F)c(F)cc1Cl,C08846788_decoy,GCR,Decoy,0,-7.22253,9.12,-3.02,0.5435077098306967
COc1c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc2ccccc2c1Br,C08896355_decoy,GCR,Decoy,0,-9.07245,-7.4,-2.78,-5.6714695386793
C/C(=N\Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc2ccccc2c1O,C09363741_decoy,GCR,Decoy,0,-8.1913,-5.19,-3.14,-4.105187383807073
O=C1CCCC2=C1[C@@H](c1ccc(F)c(Oc3ccccc3)c1)Nc1ccc(C(=O)c3ccccc3)cc1N2,C09435190_decoy,GCR,Decoy,0,-11.203,-4.55,-1.45,-5.1138921597884455
Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4ccc(Br)cc4)c(N)c23)cc1,C12249988_decoy,GCR,Decoy,0,-8.33565,-4.11,-1.61,-3.890265295300346
COc1ccc(C(=O)c2c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc3c2CC[C@@H](C)C3)cc1,C12634023_decoy,GCR,Decoy,0,-8.99306,-3.78,-3.57,-3.794421734198033
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)OC4CCCCC4)sc3n2)cc1,C06246449_decoy,GCR,Decoy,0,-6.6906,-4.63,-3.73,-3.557832401344535
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(C(C)(C)C)c1O,C14152007_decoy,GCR,Decoy,0,-8.26168,-4.81,-4.88,-4.490271958587234
COc1c(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc2ccccc2c1Br,C14275630_decoy,GCR,Decoy,0,-11.5956,-7.29,-2.9,-9.079657773241852
CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)c2C#N)C1,C14276446_decoy,GCR,Decoy,0,-12.4212,-2.88,-0.87,-4.769805038097815
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc4ccccc24)N3)c(C)c1,C14463953_decoy,GCR,Decoy,0,-11.7153,-4.99,-1.93,-4.9894787492324015
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc4ccccc4c2)N3)c(C)c1,C14475212_decoy,GCR,Decoy,0,-7.54038,-4.09,-3.66,-3.611745899338665
Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccccc4)c12)CC/C3=C\c1ccccc1,C19205284_decoy,GCR,Decoy,0,-7.98585,-3.81,-4.5,-3.7746872161412734
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@@H](c2c(C)cc(C)cc2C)N3)c1,C20691324_decoy,GCR,Decoy,0,-12.708,-3.7,-3.98,-5.019336347116277
Cc1cc(NC(=O)c2ccc(Br)cc2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O,C20977054_decoy,GCR,Decoy,0,-10.7991,-4.72,-1.76,-4.508185474082314
CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3cccs3)C4)ccc21,C21223718_decoy,GCR,Decoy,0,-6.72898,-5.2,-2.98,-3.2809047882557345
O=C(NC(=S)/N=c1/[nH]c2ccc(Cl)cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1,C01862838_decoy,GCR,Decoy,0,-12.4407,-9.07,-3.18,-9.224855327354096
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1,C17086025_decoy,GCR,Decoy,0,-11.7699,-3.24,-1.65,-4.072615018689725
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)/N=c1/[nH]c2c(Cl)c(Cl)ccc2s1,C32127911_decoy,GCR,Decoy,0,-11.4379,-3.3,-3.47,-4.539204703177096
C/C(=N\Nc1ccnc2cc(Cl)ccc12)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1,C32637813_decoy,GCR,Decoy,0,-12.589,-7.85,-3.57,-9.206330937216636
CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Br)CC[C@H](C(C)(C)C)C2,C33693975_decoy,GCR,Decoy,0,-7.10434,-1.71,-3.55,-2.690253382251346
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2ccccc2Cl)C1,C34722012_decoy,GCR,Decoy,0,-9.11174,-3.42,,99.0
Cc1ccc(Cl)cc1Nc1nc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cs1,C35319515_decoy,GCR,Decoy,0,-12.1404,10.94,-4.24,-0.4556198858742589
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CC(C)(C)CC1=O)N2,C35450768_decoy,GCR,Decoy,0,-8.89415,-2.92,-2.38,-3.936435745388398
CC(C)(C)c1cc(-c2nc3ncccn3c2Nc2ccc(Br)cc2)cc(C(C)(C)C)c1O,C35615911_decoy,GCR,Decoy,0,-6.46337,-4.1,-2.97,-3.490722361339559
[O-]c1c(Br)cc(Br)cc1/C=[NH+]/Nc1c(Cl)cc(Cl)cc1Cl,C20615384_decoy,GCR,Decoy,0,-11.1245,-6.29,-1.25,-7.826137158738213
[O-]c1cc2ccccc2cc1/C=[NH+]/Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1,C27472504_decoy,GCR,Decoy,0,-6.30571,-5.51,-3.3,-3.418018113535154
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)Nc2ccccc2Cl)C1,C39388965_decoy,GCR,Decoy,0,-8.83222,-2.58,-4.23,-3.8491764369336967
Oc1ccccc1-c1cc2c(cc1Br)CN(c1ccccc1O)/C2=C/c1ccccc1,C39499028_decoy,GCR,Decoy,0,-6.13712,-2.78,-2.05,-2.3778513490426074
Cc1ccc(CN2C(=O)c3[nH]nc(-c4c(C)cc(C)cc4O)c3[C@@H]2c2ccc(C(C)C)cc2)cc1,C38706010_decoy,GCR,Decoy,0,-6.59218,-2.74,-3.77,-2.7291423352689
O=c1[nH]/c(=C\c2c3ccccc3cc3ccccc23)c(=O)[nH]/c1=C\c1c2ccccc2cc2ccccc12,C16525777_decoy,GCR,Decoy,0,-8.55519,-6.04,-4.97,-4.1782744221837325
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1,C08921480_decoy,GCR,Decoy,0,-13.4033,-4.01,-3.4,-5.116539094375278
Oc1c(I)cc(I)cc1/C=N/Nc1ccc(Cl)cc1,C08454053_decoy,GCR,Decoy,0,-10.5161,-3.83,-1.45,-5.476021728455528
O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2,C58847845_decoy,GCR,Decoy,0,-12.7777,-3.7,-2.76,-4.993591447542453
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1,C58848115_decoy,GCR,Decoy,0,-9.69301,-3.21,-3.27,-4.105837939118259
CCc1ccc2c(c1)/C(=N/NC(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)N2,C59165743_decoy,GCR,Decoy,0,-11.4287,-5.79,-1.97,-6.720636302910499
Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)cc1C,C59223999_decoy,GCR,Decoy,0,-11.4227,-1.04,-4.07,-3.2651711560608945
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)c(C)c1,C59459404_decoy,GCR,Decoy,0,-12.5563,-8.6,-1.05,-7.931210269657801
Oc1ccc(Br)cc1/C=N/Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1,C59484212_decoy,GCR,Decoy,0,-10.2397,-3.89,-4.05,-4.692101120122716
CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(O)cc3)c2C(=O)Nc2ccc(Br)cc2)C1,C15946453_decoy,GCR,Decoy,0,-8.99463,5.59,-2.94,-1.0216002403262652
O=C1Nc2ccc(Br)cc2/C1=N/N=c1/[nH]c(-c2ccc(-c3ccccc3)cc2)cs1,C20444310_decoy,GCR,Decoy,0,-12.1594,-8.45,-0.88,-7.757398189271385
CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@@H](c3cc(Br)ccc3O)C2)cc1,C53364343_decoy,GCR,Decoy,0,-8.56447,-3.75,-2.12,-3.4702003430813964
C#CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(Nc4c(Cl)cccc4Cl)nc3[C@@H](C)[C@@H]2[C@H]1O,C03841004_decoy,GCR,Decoy,0,-10.9186,-2.66,-2.72,-4.166440655570493
COC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2,C04142589_decoy,GCR,Decoy,0,-11.4755,8.04,-2.6,-1.334058533056419
Oc1ccc(Br)cc1-c1nc(-c2cccc(Cl)c2Cl)c(-c2ccccc2)[nH]1,C02898867_decoy,GCR,Decoy,0,-11.9122,-3.36,-2.73,-4.78277359714748
CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)c2sc4ccccc4c2Cl)c1O)CCCC3,C08386861_decoy,GCR,Decoy,0,-7.25634,-3.43,-3.01,-3.397371558116547
Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12,C08441348_decoy,GCR,Decoy,0,-6.97484,5.89,-4.72,-0.299043226537358
C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Br)c3)c2C(=O)Nc2cccc3ccccc23)C1,C08445662_decoy,GCR,Decoy,0,-7.25598,-3.27,-3.54,-3.1456032914102865
N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Cl)c2Cl)[C@@H]1c1cccc(Cl)c1Cl,C02783210_decoy,GCR,Decoy,0,-11.9347,-2.77,-2.21,-4.205913734249837
Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(C(F)(F)F)c(C(=O)c3ccccc3)cc12,C02278312_decoy,GCR,Decoy,0,-9.81831,-3.65,,99.0
Cc1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@@H](C(C)(C)C)C5)N3)o2)cc1Cl,C10058986_decoy,GCR,Decoy,0,-13.8495,-3.78,-5.14,-4.924090074033701
COc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)c4ccc(Br)cc4)sc3n2)cc1,C12249962_decoy,GCR,Decoy,0,-6.86477,0.6,-4.0,-2.0205469581829805
C/C(=N/Nc1nc(Cl)c(C#N)c(Cl)c1Cl)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,C12342924_decoy,GCR,Decoy,0,-11.9891,-7.5,-3.88,-8.984381664780424
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Sc1ncnc2sc3c(c12)CCCC3,C03192716_decoy,GCR,Decoy,0,-8.10427,-8.31,-4.59,-7.766957684518773
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1Br,C12500484_decoy,GCR,Decoy,0,-12.4792,-7.48,-2.11,-9.8320673917526
Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12,C06446078_decoy,GCR,Decoy,0,-7.15269,-3.86,-2.66,-3.127669147134674
Cc1cc(C)c([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@@H]32)c(C)c1,C14457905_decoy,GCR,Decoy,0,-6.13609,-4.95,-3.07,-5.1408957083926285
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464140_decoy,GCR,Decoy,0,-9.13273,-5.27,-4.06,-4.345741058304125
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c(Cl)cccc2Cl)N3)c(C)c1,C14546703_decoy,GCR,Decoy,0,-7.50526,-3.74,-2.73,-3.200136737731901
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2)c1ccccc1,C14548341_decoy,GCR,Decoy,0,-9.27459,-4.79,-4.09,-4.4158684614853625
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21,C14549240_decoy,GCR,Decoy,0,-6.85544,-4.81,-2.25,-3.364861506834899
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl,C16194526_decoy,GCR,Decoy,0,-11.52,-3.14,-2.01,-5.183695543667765
N#Cc1c(-c2ccccc2)nc2sc3c(C(=O)c4ccccc4)cc(N)nc3c2c1-c1ccccc1,C19943111_decoy,GCR,Decoy,0,-5.05389,-2.1,-4.75,-1.9491259275880264
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2cccc3ccccc23)C1,C20467902_decoy,GCR,Decoy,0,-6.87904,-3.74,-4.16,-3.3074315857721506
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21,C20753462_decoy,GCR,Decoy,0,-6.28168,-5.32,-4.42,-3.651997349472351
CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3cccs3)C4)ccc21,C21223713_decoy,GCR,Decoy,0,-6.76298,-3.98,-3.79,-3.19623733493153
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1,C21260460_decoy,GCR,Decoy,0,-6.09671,-3.94,-2.8,-3.3034197990183585
CCc1ccc(Nc2nc3c(c(Nc4ccc(Cl)c(Cl)c4)n2)C(=O)CC(C)(C)C3)cc1,C22445201_decoy,GCR,Decoy,0,-7.3369,-4.1,-3.36,-3.243629765301295
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1,C17085937_decoy,GCR,Decoy,0,-9.86445,-2.01,-1.76,-3.29238027089351
Cc1ccc(C(=O)Oc2ccc([C@@H]3NC(=O)c4c(sc5c4CC[C@H](C(C)(C)C)C5)N3)cc2)cc1,C17086029_decoy,GCR,Decoy,0,-7.07153,-2.48,-3.53,-3.045191096925202
Cc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2)cc1,C26804688_decoy,GCR,Decoy,0,-6.51549,-4.58,-4.09,-3.82653466308377
O=C(NC(=S)/N=c1/[nH]c2c(Cl)c(Cl)ccc2s1)c1cccc2c(Cl)cccc12,C32127047_decoy,GCR,Decoy,0,-12.4774,-5.89,-2.5,-5.469260318497296
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)Nc2ccc(Cl)cc2)C1,C33778988_decoy,GCR,Decoy,0,-7.6742,42.81,-4.85,11.552722016297064
Cc1ccc(-c2ccc([C@H]3C(C#N)=C4Sc5ccccc5N4C(N)=C3c3nc4ccccc4s3)o2)cc1,C02441485_decoy,GCR,Decoy,0,-7.94837,-3.51,-5.66,-3.3734667401966143
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2ccc(Cl)cc2)C1,C34897232_decoy,GCR,Decoy,0,-7.44376,50.65,-3.91,14.705706906115536
Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1,C35240019_decoy,GCR,Decoy,0,-8.31991,-3.29,-2.95,-3.905773984134509
Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(F)cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1,C35240020_decoy,GCR,Decoy,0,-6.84677,-3.54,-3.71,-3.1193306892843493
Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1,C35333531_decoy,GCR,Decoy,0,-8.17781,-6.19,-4.52,-4.738166302405388
O=C(CN1c2ccccc2Sc2ccc(Cl)cc21)N/[NH+]=C/c1c([O-])ccc2ccccc12,C15777004_decoy,GCR,Decoy,0,-10.8769,-4.38,-3.01,-4.640457922626642
CCCOC(=O)[C@@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@]4(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C)CC2,C35360918_decoy,GCR,Decoy,0,-7.76582,-3.2,-2.98,-3.275478670383096
CC[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1,C39324437_decoy,GCR,Decoy,0,-11.147,43.9,-4.12,11.35371364083221
CC(C)(O)[C@H]1CC[C@](C)([C@@H]2CC[C@@]3(C)[C@H]2CC[C@H]2[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@@]23C)O1,C43735658_decoy,GCR,Decoy,0,-13.0393,-2.85,-3.17,-4.158838812019557
CC1(C)CCC[C@](C)([C@H]2CC[C@@]3(C)[C@H]2[C@H](O)C[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]23C)O1,C44184517_decoy,GCR,Decoy,0,-7.12434,-4.03,-1.84,-2.4799443015043887
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1,C08919583_decoy,GCR,Decoy,0,-12.602,-3.93,-3.75,-5.0322600121198064
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(C)c(Cl)c4)o2)N3)C1,C08919613_decoy,GCR,Decoy,0,-11.5737,-3.14,-1.31,-4.590716866080298
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C58847525_decoy,GCR,Decoy,0,-12.3212,21.48,-2.02,3.303073484966522
O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2,C58847715_decoy,GCR,Decoy,0,-12.3486,-3.22,-3.99,-4.9951214889339965
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1,C20243892_decoy,GCR,Decoy,0,-11.5352,-8.53,-2.0,-11.93754462812382
Oc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(F)c(F)c1F,C59166667_decoy,GCR,Decoy,0,-10.478,-7.72,-0.88,-6.973032055457512
Oc1ccc2ccccc2c1/C=N/c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1,C59501359_decoy,GCR,Decoy,0,-12.6663,-0.83,-4.53,-4.825035305632918
C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1,C15947675_decoy,GCR,Decoy,0,-8.31491,-3.59,-3.12,-3.926474934163704
C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1,C15947717_decoy,GCR,Decoy,0,-7.91544,-3.31,-2.29,-2.8221266810641583
C#CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(Nc4c(Cl)cccc4Cl)nc3[C@@H](C)[C@@H]2[C@H]1O,C03841003_decoy,GCR,Decoy,0,-12.1618,-2.52,-4.17,-5.067447157426616
CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)N(c4ccccc4)c4ccccc4)c(N)c3cc2C1,C02152697_decoy,GCR,Decoy,0,-9.2435,-3.57,-2.92,-4.1988627574996
Cc1ccc2nc(-c3cc(Br)ccc3O)c(-c3cc(Br)ccc3O)nc2c1,C01655676_decoy,GCR,Decoy,0,-11.8069,-1.83,-2.0,-3.633683358047621
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21,C03860919_decoy,GCR,Decoy,0,-5.99398,-3.14,-2.83,-2.941441096074765
CC(C)(C)C(=O)c1sc2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c2c1N,C08443085_decoy,GCR,Decoy,0,-8.38358,-4.09,-4.2,-4.003147867266833
CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1,C08874822_decoy,GCR,Decoy,0,-10.792,-3.33,-4.54,-4.293602840323751
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C(C)(C)C)cc2)n2c(nc3ccccc32)N1,C08892116_decoy,GCR,Decoy,0,-6.96581,-3.41,-3.47,-3.2797392054135126
Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(C3CC3)cc(-c3ccccc3F)c12,C08643002_decoy,GCR,Decoy,0,-8.82921,-2.73,-5.19,-3.654244415627601
NC(=O)c1c(C23CC4CC(CC(C4)C2)C3)nc2c(c1-c1ccc(Br)cc1)CCCC2,C09358912_decoy,GCR,Decoy,0,-6.71224,-2.9,-5.17,-2.6280349497344284
O=S(=O)(Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccc2ccccc2c1,C08871917_decoy,GCR,Decoy,0,-8.4638,-6.11,-3.56,-4.429972028745792
O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cc(Br)cc(Br)c1O,C01882302_decoy,GCR,Decoy,0,-12.2766,-4.2,-1.77,-4.794495664267052
Oc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1-c1nc2ccccc2s1,C09553718_decoy,GCR,Decoy,0,-13.4302,-4.35,-4.32,-5.340527303837859
Cc1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@H](C(C)(C)C)C5)N3)o2)cc1Cl,C10058987_decoy,GCR,Decoy,0,-13.829,-4.37,-0.84,-5.636316102948781
CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1,C10059373_decoy,GCR,Decoy,0,-13.5883,4.58,-4.84,-2.800348471186737
C[C@H]1CCc2c(sc3nc([C@H](C)Nc4cc(Cl)ccc4Sc4ccccc4)[nH]c(=O)c23)C1,C03476712_decoy,GCR,Decoy,0,-8.77596,-4.52,-1.97,-4.219525857278152
CCn1c2ccccc2c2cc([C@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)ccc21,C04081182_decoy,GCR,Decoy,0,-7.44713,-4.83,-2.06,-3.461714228727815
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(Br)cc2)N3)c1,C13638780_decoy,GCR,Decoy,0,-11.3466,-5.43,-3.18,-5.361794232094822
Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc12,C14275650_decoy,GCR,Decoy,0,-13.646,-4.22,-5.89,-6.021235024912087
Cc1ccc(-c2nc(SCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)[nH]c2-c2ccc(C)cc2)cc1,C14358809_decoy,GCR,Decoy,0,-8.31786,-5.11,-3.87,-4.397153510808106
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2Cl)N3)c(C)c1,C14476988_decoy,GCR,Decoy,0,-11.9006,-4.34,-3.01,-5.222620523059458
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(Cl)c2Cl)N3)c1,C14476991_decoy,GCR,Decoy,0,-13.5458,-5.36,-2.14,-5.709944398068781
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2Cl)N3)cc1C,C14477397_decoy,GCR,Decoy,0,-13.2835,12.29,-1.55,-0.3805003046852541
Oc1ccc(/N=C\c2cc(Cl)cc(I)c2O)cc1-c1nc2ccccc2s1,C15134294_decoy,GCR,Decoy,0,-11.895,-4.09,-4.83,-4.908178394338734
Cc1c(Cl)c(C)c(/C=N/c2ccc(O)c(-c3nc4ccccc4o3)c2)c(O)c1Br,C03114155_decoy,GCR,Decoy,0,-11.895,-3.63,-5.4,-4.312763219234315
Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3cc(Cl)cc(Br)c3O)ccc2o1,C03116434_decoy,GCR,Decoy,0,-12.8722,-4.78,-1.83,-5.286793939791727
Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1C,C00650682_decoy,GCR,Decoy,0,-5.5842,-2.91,-3.64,-2.5588241350740764
Cc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1Br,C19841743_decoy,GCR,Decoy,0,-11.2847,-3.47,-2.72,-4.676529058690481
CCCC(=O)Nc1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C20685447_decoy,GCR,Decoy,0,-5.96391,-2.03,-4.8,-2.55029387656656
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc4ccccc24)N3)c(C)c1,C20698687_decoy,GCR,Decoy,0,-12.4093,-5.16,-4.19,-5.640409229842471
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2,C20698825_decoy,GCR,Decoy,0,-11.8312,-4.11,-3.27,-4.796144503581843
O=C(NC1CCCCC1)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1CC=C[C@@H]21,C20753465_decoy,GCR,Decoy,0,-5.9287,-4.8,-3.22,-3.3343895118094675
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1,C21244191_decoy,GCR,Decoy,0,-11.7228,-1.62,-2.34,-3.8674634166871966
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc23)cc1,C21252058_decoy,GCR,Decoy,0,-6.20182,-4.03,-1.86,-3.1460891614108606
O=C1CCCc2nc(Nc3cccc(C(F)(F)F)c3)nc(Nc3cc(Cl)cc(Cl)c3)c21,C22446662_decoy,GCR,Decoy,0,-9.23466,-4.06,-4.35,-4.100076030084682
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2,C32181031_decoy,GCR,Decoy,0,-11.7081,-4.96,-4.62,-5.200455859369929
CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Br)CC[C@@H](C(C)(C)C)C2,C33693973_decoy,GCR,Decoy,0,-6.98046,-3.33,-3.29,-3.176932337425909
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2ccc(Cl)cc2)C1,C34897233_decoy,GCR,Decoy,0,-7.69652,-2.76,-2.73,-3.22186454080998
Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3,C34942682_decoy,GCR,Decoy,0,-11.3907,-2.87,-3.94,-3.940223185284944
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2,C35240713_decoy,GCR,Decoy,0,-7.50671,-3.12,-3.58,-3.107270296054831
Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1,C35333534_decoy,GCR,Decoy,0,-8.15353,-2.23,,99.0
CC(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N,C38909681_decoy,GCR,Decoy,0,-7.12185,-2.43,-3.93,-2.9396096688193807
O=C(Nc1cccc2ccccc12)c1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1,C12353288_decoy,GCR,Decoy,0,-11.2243,-5.19,-2.73,-7.353227923139111
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1,C08919586_decoy,GCR,Decoy,0,-12.9299,-4.44,-4.81,-5.053304795893963
COc1cc(Br)c(Br)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1O,C13940813_decoy,GCR,Decoy,0,-12.4606,-3.17,-2.5,-5.01927295390771
CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1,C53364581_decoy,GCR,Decoy,0,-7.94626,-4.69,-2.93,-3.7825694146727513
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1,C58846646_decoy,GCR,Decoy,0,-11.1239,-3.23,-2.29,-4.473457852622637
O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2,C58847834_decoy,GCR,Decoy,0,-11.2683,-3.83,-3.11,-4.536170360180683
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C58849748_decoy,GCR,Decoy,0,-11.7276,-3.86,-1.23,-5.228652940217308
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c4ccccc4cc4ccccc24)N3)C1,C15945736_decoy,GCR,Decoy,0,-8.33372,-4.03,-1.81,-3.628441939754441
C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccc5ccccc45)cc2)N3)C1,C15947599_decoy,GCR,Decoy,0,-7.45953,-5.59,-2.62,-4.0930123891203065
O=C1O[C@@](c2ccc(O)cc2)(c2cccc(O)c2)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,C04017532_decoy,GCR,Decoy,0,-11.6959,-3.28,-0.47,-4.367685345512437
Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1,C04122981_decoy,GCR,Decoy,0,-12.3523,-6.31,-1.63,-6.717134023430692
O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1,C03015233_decoy,GCR,Decoy,0,-11.2207,-9.05,-2.07,-3.01474774069358
O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Br)cc1,C02052365_decoy,GCR,Decoy,0,-10.8499,-3.44,-1.05,-4.387378731237477
Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)cc1,C02151202_decoy,GCR,Decoy,0,-5.91423,9.26,-4.39,1.0567110059817024
O=C(Nc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3s2)cc1)c1cccs1,C02060697_decoy,GCR,Decoy,0,-12.0181,31.54,-2.24,6.7692632908586825
Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3Cl)C4)c(=O)c2c1,C08444230_decoy,GCR,Decoy,0,-10.4307,-3.46,-3.28,-4.048168226779756
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1,C08454115_decoy,GCR,Decoy,0,-11.1155,-2.94,,99.0
COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1C,C08832980_decoy,GCR,Decoy,0,-11.5448,-7.35,-1.35,-8.114322722539109
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1,C00797862_decoy,GCR,Decoy,0,-12.2824,-6.28,-3.65,-7.423672247200264
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(I)c2)cc1,C09310792_decoy,GCR,Decoy,0,-11.4714,-8.5,-4.26,-11.275000251561282
C[C@@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(Cl)cc2Cl)c1,C09490296_decoy,GCR,Decoy,0,-10.0036,-1.86,-4.4,-3.9753123023036014
C[C@@H]1[C@H](C)CCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1,C09490349_decoy,GCR,Decoy,0,-11.6847,3.14,-0.75,-5.117503213719545
C/C(=N\Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1ccc(O)cc1,C12343294_decoy,GCR,Decoy,0,-8.1678,-3.46,-3.97,-3.619175615249441
CC(C)[C@@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c23)CO1,C00658180_decoy,GCR,Decoy,0,-10.0652,2.96,-1.77,-2.433901478381322
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@H]21,C13643091_decoy,GCR,Decoy,0,-9.1928,-3.18,-3.22,-4.1110038246669625
COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl,C02994649_decoy,GCR,Decoy,0,-10.9293,-6.88,-3.42,-9.173278176753952
O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(Br)cc1Cl,C13881840_decoy,GCR,Decoy,0,-11.4752,-8.43,-3.29,-9.577023877353346
Cc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1Cl,C14269118_decoy,GCR,Decoy,0,-12.0048,-4.43,-2.31,-5.084891922245121
O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1,C14269445_decoy,GCR,Decoy,0,-13.1254,-8.92,-0.91,-9.711323013203646
N#Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2,C14269960_decoy,GCR,Decoy,0,-13.1428,-3.81,-0.95,-5.474748859976717
CC1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cc(Cl)cc(Cl)c2O)N3)CC1,C14467259_decoy,GCR,Decoy,0,-12.3257,-5.25,-4.07,-5.07246366406796
COc1ccc(C)cc1NC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1ccc(C)cc1,C15725291_decoy,GCR,Decoy,0,-7.27253,-5.62,-4.0,-4.3572515147890645
Cc1cc2sc(NC(=S)NC(=O)c3cccc(I)c3)nc2cc1Cl,C16284311_decoy,GCR,Decoy,0,-10.7643,-8.33,-2.75,-7.473593402580048
C[C@H](Sc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)C(=O)Nc1ccc(F)c(F)c1,C18599717_decoy,GCR,Decoy,0,-12.5861,-9.25,-2.37,-9.043089138235112
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(Cl)cc3Cl)c2)CCC[C@@H]1C,C20664742_decoy,GCR,Decoy,0,-10.9497,-3.58,-5.11,-4.9798982144044
CC[C@H](C)NC(=O)c1cccc2c1N[C@H](c1ccc3c(c1)c1ccccc1n3CC)[C@H]1CC=C[C@@H]21,C20685365_decoy,GCR,Decoy,0,-6.93241,-2.77,-4.39,-2.7903107626910693
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)NC[C@@H]5CCCO5)cc4[C@@H]4C=CC[C@H]43)ccc21,C20685609_decoy,GCR,Decoy,0,-11.5878,-2.72,-4.04,-4.299135870188561
CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1,C08766704_decoy,GCR,Decoy,0,-10.8945,-4.81,-3.31,-5.117808849120365
CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1,C08952287_decoy,GCR,Decoy,0,-8.63194,-2.94,-0.39,-3.7189608819249655
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(C(=O)NC[C@@H]5CCCO5)cc4[C@H]4C=CC[C@H]43)ccc21,C36551028_decoy,GCR,Decoy,0,-6.91885,-2.32,-1.77,-3.0390140891876904
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C2,C33910003_decoy,GCR,Decoy,0,-7.07544,-1.65,-1.3,-2.552054204845697
O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H]2C=C[C@@H]1C2,C00825368_decoy,GCR,Decoy,0,-10.2663,-4.13,-2.37,-5.2024306231186825
C#CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@]2(C)Cc3sc(Nc4ccc(F)cc4)nc3[C@@H](C)[C@@H]2[C@@H]1O,C43548724_decoy,GCR,Decoy,0,-11.8887,-3.47,-3.27,-4.775333965417164
C[C@@H](O)C(=O)N[C@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21,C49785153_decoy,GCR,Decoy,0,-8.21952,-2.26,-4.15,-3.447600134106707
O=C(Nc1ccccc1C(F)(F)F)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F,C02375447_decoy,GCR,Decoy,0,-9.34199,-8.28,-1.97,-7.594818460061334
O=C(NC1CCCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2,C00647030_decoy,GCR,Decoy,0,-11.2484,-4.67,-0.61,-5.498413697168728
O=C(Nc1cccc(C(F)(F)F)c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F,C02088139_decoy,GCR,Decoy,0,-10.3395,-9.8,-3.75,-9.21538846908894
O=C(Nc1ccc(Cl)cc1Cl)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F,C00674256_decoy,GCR,Decoy,0,-12.9671,26.83,-2.22,4.884107687055942
Cc1cc(N/N=C/c2cccc(Cl)c2)nc(-c2cc(Br)cc(Br)c2O)n1,C13548654_decoy,GCR,Decoy,0,-12.1032,-7.07,-3.92,-7.8383646401290115
O=C(NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(Br)cc1,C59365751_decoy,GCR,Decoy,0,-12.856,-7.2,-3.18,-7.542867359924415
C/C(=N/NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1O,C12491426_decoy1,GCR,Decoy,0,-11.2552,-2.33,,-4.389547470346364
O=C(Nc1cc(Cl)ccc1Cl)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F,C00865875_decoy,GCR,Decoy,0,-12.1354,-9.42,-4.58,-11.252298320607556
Cc1ccc(O)c(NC(=O)CSc2ncnc3scc(-c4ccc(Br)cc4)c23)c1,C62038508_decoy,GCR,Decoy,0,-11.3194,-7.61,-2.33,-12.425061936326385
CCCCN1C(=O)/C(=C2/C[C@@H](c3ccc(C(C)C)cc3)Sc3ccccc3N2)C(=O)NC1=S,C49735119_decoy,GCR,Decoy,0,-8.28995,-4.04,-5.19,-3.9097202898604895
O=C(Nc1ccccc1C(F)(F)F)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2,C03011420_decoy,GCR,Decoy,0,-9.71369,-4.38,-1.36,-5.013452228262107
CCc1ccccc1NC(=O)CN1C(=O)C=C(c2ccc(Br)s2)Nc2ccccc21,C64868650_decoy,GCR,Decoy,0,-11.7636,-9.77,-2.1,-10.69282538070479
Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1C)C(=O)C=C(c1ccc(Br)s1)N2,C64869056_decoy,GCR,Decoy,0,-8.15041,-3.14,-3.25,-3.6192359230533193
C/C(=N\NC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1O,C12491426_decoy2,GCR,Decoy,0,-9.93463,-2.91,,-4.0125557711046405
CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc(I)c1O,C12463598_decoy,GCR,Decoy,0,-10.8876,-3.17,-2.28,-4.336774943942446
O=C(N[C@H](Nc1cccc(Br)c1)C(Cl)(Cl)Cl)c1cccc2ccccc12,C02054663_decoy,GCR,Decoy,0,-9.43995,-4.37,-1.93,-4.945395898348735
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Br)cc1,C02727556_decoy,GCR,Decoy,0,-7.60089,-3.63,-4.81,-3.4396062585208083
O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc2c(Cl)cccc12,C04122839_decoy,GCR,Decoy,0,-9.96081,-4.99,-3.69,-4.991971789094722
CC1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCC(C(C)(C)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1,C05496989_decoy,GCR,Decoy,0,-8.02394,-4.73,-3.59,-4.306585433529791
O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,C01919963_decoy,GCR,Decoy,0,-10.9233,-6.54,-5.21,-8.911283484599824
CC(C)(C)[C@H]1CC[C@@]2(/N=C/c3ccccc3O)Oc3ccccc3[C@@H](/N=C/c3ccccc3O)[C@@H]2C1,C08426316_decoy,GCR,Decoy,0,-7.27143,-3.24,-2.75,-3.400472816627458
N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1,C02147912_decoy,GCR,Decoy,0,-7.71856,-2.9,-2.6,-2.9978338986796147
Nc1c(C(=O)c2ccc(Br)s2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12,C08448539_decoy,GCR,Decoy,0,-11.7997,-9.76,-1.65,-10.147375984013024
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2Br)[C@H]1c1ccccc1Br,C08783208_decoy,GCR,Decoy,0,-10.6483,-3.98,-1.65,-3.980395512173217
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Br)cc2)n2c(nc3ccccc32)N1,C01068867_decoy,GCR,Decoy,0,-7.22177,-4.34,-3.22,-3.330469319202988
O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1sc2ccccc2c1Cl,C09404685_decoy,GCR,Decoy,0,-11.327,-2.86,-4.34,-4.513836389283472
Cc1ccc(-c2c3c(nc4sc(C(=O)c5cccc(Br)c5)c(N)c24)CCCC3)o1,C09311287_decoy,GCR,Decoy,0,-11.9369,0.68,-1.84,-4.95406515596039
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc(Br)ccc1O,C12374711_decoy,GCR,Decoy,0,-10.5362,-4.48,-2.87,-5.162752972038387
CC1(C)Cc2c(c(Cc3ccccc3)nc3oc(C(=O)c4ccc(Br)cc4)c(N)c23)CO1,C09273100_decoy,GCR,Decoy,0,-7.9658,-3.44,-3.88,-3.529514091644829
Nc1c(Br)cc2oc(-c3cccc4c(Br)cccc34)nc2c1Br,C02422047_decoy,GCR,Decoy,0,-11.8714,5.09,-1.81,-1.722474083419273
O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1,C14276005_decoy,GCR,Decoy,0,-11.761,-4.66,-1.1,-5.836169297569395
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)c1ccccc1,C14468067_decoy,GCR,Decoy,0,-10.4841,-2.74,-2.91,-4.032159870012014
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2)c1ccccc1,C14468071_decoy,GCR,Decoy,0,-9.85708,-4.65,-0.93,-4.830645690620435
CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@@H]32)cc1,C14552030_decoy,GCR,Decoy,0,-11.4446,-3.58,-3.72,-4.760352144924713
CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1,C14552032_decoy,GCR,Decoy,0,-9.95717,-3.44,-3.19,-4.3145831942909405
Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)Nc2ccc(Br)cc2)cc1,C03150632_decoy,GCR,Decoy,0,-7.12391,-3.58,-0.76,-3.31806386330308
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/c4ccc(O)cc4)c3C)sc3ccccc23)cc1,C16293125_decoy,GCR,Decoy,0,-10.0337,-3.4,-2.17,-4.284303935579568
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1,C18115172_decoy,GCR,Decoy,0,-10.768,-2.56,-2.39,-3.7795339906013634
Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc(-c2nc3ccccc3s2)c1O,C19945225_decoy,GCR,Decoy,0,-13.0982,-4.28,-5.71,-5.590734426134207
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(S(=O)(=O)NC5CCCCC5)cc4[C@@H]4C=CC[C@H]43)ccc21,C20684062_decoy,GCR,Decoy,0,-12.9324,-3.62,-3.03,-4.928455994371888
CCc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Br)ccc3O)C2)cc1,C20763409_decoy,GCR,Decoy,0,-6.13187,-4.49,-4.17,-3.003872239977769
CCc1ccc(C2=N[C@@H](c3cc(Br)ccc3F)N[C@H](c3cc(Cl)ccc3O)C2)cc1,C20763811_decoy,GCR,Decoy,0,-7.23197,0.19,-2.03,-2.325412461609392
CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccc(N(C)C)cc3)C4)ccc21,C21223313_decoy,GCR,Decoy,0,-6.79601,-3.48,,99.0
CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc(Br)c1O,C21223404_decoy,GCR,Decoy,0,-11.7413,-4.06,-4.66,-5.13395608123655
Cc1cccc([C@@H]2CC(=O)C3=C(C2)NC(Nc2nc4ccccc4s2)=N[C@@H]3c2cc(F)cc(F)c2)c1,C22822589_decoy,GCR,Decoy,0,-7.18729,-1.75,-1.1,-2.7515828337918107
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1,C27547240_decoy,GCR,Decoy,0,-6.92461,-4.26,-3.56,-3.506037307271528
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2,C32180943_decoy,GCR,Decoy,0,-11.8188,-4.79,-2.49,-5.038540166772858
CC(C)NC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C(C)(C)C)C2,C33612864_decoy,GCR,Decoy,0,-10.8283,-2.4,-1.88,-4.485067192876499
O=C1C=C(OCc2c(F)cccc2Cl)C=C/C1=C1\NNC=C1Oc1ccccc1Br,C09436302_decoy,GCR,Decoy,0,-11.7535,-4.35,-4.32,-4.839638899324341
[O-]c1c(/C=[NH+]/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)ccc2ccccc12,C08453993_decoy,GCR,Decoy,0,-6.1908,-5.7,-4.02,-3.7142257047621214
CCn1c2ccccc2c2cc([C@H]3Nc4c(C(=O)NC5CCCCC5)cccc4[C@H]4C=CC[C@@H]43)ccc21,C13642646_decoy,GCR,Decoy,0,-7.36315,-4.69,-4.79,-3.850170652567767
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Cl)cc(Cl)c1O)N2,C14467393_decoy,GCR,Decoy,0,-11.127,-4.77,-3.9,-4.818378295917644
C[C@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C34168973_decoy,GCR,Decoy,0,-10.7324,-4.67,-1.63,-4.581531854857691
CC(C)c1ccc(-c2c(C#N)c(N)nc(SCc3ccc(Br)cc3)c2C#N)cc1,C39328057_decoy,GCR,Decoy,0,-10.1688,-3.42,-2.8,-4.302897493241906
O=C(/C=C\c1ccccc1)NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1,C39775829_decoy,GCR,Decoy,0,-9.6537,-3.9,-3.33,-4.382418722839343
C/C(=C1/S/C(=N/c2nc(-c3ccccc3)cs2)N(c2ccccc2)C1=O)c1ccc(N)cc1,C39866005_decoy,GCR,Decoy,0,-9.79584,-0.08,-2.3,-4.371791487583977
CSc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2Cl)cc1,C39914809_decoy,GCR,Decoy,0,-8.22818,-3.1,-3.6,-3.603264679007098
C[C@@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]3CC[C@]12C,C43721475_decoy,GCR,Decoy,0,-5.85589,-5.49,-2.11,-3.001722301864201
Cc1ccc2[nH]/c(=N\C(=S)NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1,C22579915_decoy,GCR,Decoy,0,-12.3954,-3.94,-3.88,-5.293379022728415
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2,C58847203_decoy,GCR,Decoy,0,-11.9073,-2.67,-2.0,-4.389971245536394
COc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc(I)c1O,C59224272_decoy,GCR,Decoy,0,-10.8491,-4.66,-1.58,-4.819939470823997
O=C(NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(Br)cc1,C59365767_decoy,GCR,Decoy,0,-13.0725,-4.86,-4.73,-5.729102259845584
CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3cc(Cl)ccc3O)C2)cc1,C53363662_decoy,GCR,Decoy,0,-7.34884,-3.35,-4.45,-3.0174542478627187
Cc1ccc([C@H]2N=C(c3ccc(Br)cc3)C[C@@H](c3cc(Br)ccc3O)N2)c(C)c1,C53363905_decoy,GCR,Decoy,0,-6.70104,-2.8,-1.82,-2.525882060206552
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc(I)c1O,C65001914_decoy,GCR,Decoy,0,-12.36,7.62,-1.34,-1.548694548539637
O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1,C02154983_decoy,GCR,Decoy,0,-11.0025,-6.43,-3.73,-7.557086278591494
Nc1ccc(C(=O)N/N=C\c2ccc(N3CCC4(CCCCC4)CC3)cc2Br)cc1,C05085676_decoy,GCR,Decoy,0,-7.94029,-4.42,-3.09,-4.099856228774522
COC(=O)c1c(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)sc2c1CC[C@@H](C)C2,C02889885_decoy,GCR,Decoy,0,-10.6614,-3.61,-1.46,-4.674117197520457
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)c2C(N)=O)C1,C08901371_decoy,GCR,Decoy,0,-13.732,-3.07,-6.34,-5.191126957529751
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1,C08901374_decoy,GCR,Decoy,0,-14.2167,0.34,-1.6,-5.29280377234431
Cc1cc(C)cc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc23)c1,C02376104_decoy,GCR,Decoy,0,-7.93984,-4.01,-4.51,-3.8097911430042064
C[C@H]1[C@@H](NC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2ccc(Cl)cc2)CCC[C@@H]1C,C09836205_decoy,GCR,Decoy,0,-6.70704,-3.58,-3.12,-2.933522543360095
Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2O)n1,C11866379_decoy,GCR,Decoy,0,-8.12693,-3.98,-4.03,-3.3783310476108785
CCOc1ccc(-c2c3c(nc4sc(C(=O)Nc5nc6ccccc6s5)c(N)c24)CCCC3)cc1,C12250077_decoy,GCR,Decoy,0,-7.3244,-3.26,-4.14,-3.2136958309776498
COc1cc2c(cc1NC(=O)c1sc3nc(C(F)F)cc(C)c3c1N)oc1ccccc12,C12649850_decoy,GCR,Decoy,0,-10.6827,0.22,-2.64,-3.6992055243123154
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N,C06194336_decoy,GCR,Decoy,0,-7.45009,5.82,-3.66,-0.5121265531913295
Cc1c(O)ccc(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)c1O,C13304973_decoy,GCR,Decoy,0,-8.15872,-3.73,-3.28,-3.771667455734021
Cc1ccc(NC(=O)Nc2cc(C)c3nc(NS(=O)(=O)c4ccc(C)cc4)sc3c2)cc1,C13349182_decoy,GCR,Decoy,0,-11.2282,-4.68,-3.3,-4.999989793624216
NC(=S)N/N=c1\oc2ccccc2cc1-c1nc(-c2ccc(Br)cc2)cs1,C13899140_decoy,GCR,Decoy,0,-9.90893,-3.0,-4.13,-3.992680684347173
COc1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc2ccccc2c1Br,C14273349_decoy,GCR,Decoy,0,-10.7944,-3.82,-0.91,-5.002412888912949
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2c(O)ccc4ccccc24)N3)c1,C14547954_decoy,GCR,Decoy,0,-9.88911,-3.12,-3.76,-4.193534187908447
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2c(O)ccc4ccccc24)N3)c1,C14547955_decoy,GCR,Decoy,0,-11.6491,-3.73,-2.32,-4.828710328983777
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2c(O)ccc4ccccc24)N3)c1,C14547957_decoy,GCR,Decoy,0,-11.3666,-5.37,-3.69,-5.402010289849353
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2,C14548056_decoy,GCR,Decoy,0,-7.71892,-5.15,-4.01,-4.007825204491089
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(O)ccc3ccccc13)N2,C14548057_decoy,GCR,Decoy,0,-8.63782,-3.72,-2.83,-3.987106844325632
Cc1ccc(NC(=O)c2nnc(-c3ccc(NC(=O)Nc4cccc(C)c4C)cc3)s2)cc1,C15862746_decoy,GCR,Decoy,0,-8.86383,-4.26,-1.62,-4.593550454724872
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)s1,C16492342_decoy,GCR,Decoy,0,-11.5088,-6.24,-3.32,-5.209316192042739
Cc1c(O)ccc(/C=N/Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)c1O,C16677620_decoy,GCR,Decoy,0,-9.48671,-4.74,-5.34,-6.1004457290352905
O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1,C19893301_decoy,GCR,Decoy,0,-11.9935,-4.02,-1.01,-4.999683747154609
COc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(C)cc5)c(N)c24)CC(C)(C)CC3=O)cc1,C03672702_decoy,GCR,Decoy,0,-6.80516,-4.78,-4.15,-3.5475281191856767
C[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)nc4ccc(Cl)cc34)c2C(N)=O)C1,C20562525_decoy,GCR,Decoy,0,-8.53217,-4.52,-3.1,-3.959454939440119
Cn1c(-c2ccccc2)c(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c2ccccc21,C20885348_decoy,GCR,Decoy,0,-8.09884,-4.85,-3.72,-3.890896269391327
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c([N+](=O)[O-])c2)cc1,C21258885_decoy,GCR,Decoy,0,-5.76932,-3.06,-2.65,-2.448325386876086
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc(-c2nc3ccccc3s2)c1O,C22746164_decoy,GCR,Decoy,0,-12.7006,-2.32,-3.99,-4.8946997699379695
O=C(NC(=S)/N=c1\[nH]c2ccc(O)cc2s1)c1cc(I)ccc1Cl,C22748090_decoy,GCR,Decoy,0,-12.2399,-7.47,-1.33,-7.394094616919828
Nc1nc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2sc3c(c12)CCCC3,C36812539_decoy,GCR,Decoy,0,-8.09059,-7.37,-1.74,-5.362360657930466
Nc1c2c(-c3ccc(F)c(Cl)c3)nc(NC3CCCC3)nc2nn1-c1ccccc1Cl,C37377476_decoy,GCR,Decoy,0,-8.0463,-3.82,-3.02,-3.5337633310230854
O=c1c2cc(-c3ccccc3O)c(O)cc2nc2n1CCc1c-2n(-c2ccccc2O)c2ccccc12,C39541761_decoy,GCR,Decoy,0,-6.08649,-3.56,-2.43,-2.6762974006250864
O=c1c2cc(O)c(-c3ccccc3O)cc2nc2n1CCc1c-2n(-c2ccccc2O)c2ccccc12,C39541818_decoy,GCR,Decoy,0,-10.3227,-1.99,-4.39,-3.3803761556652425
Cc1cccc(Nc2sc3c(-c4ccc(Cl)cc4)c(C#N)c(N)nc3c2C(=O)N2CCCCC2)c1,C39895332_decoy,GCR,Decoy,0,-5.83776,-4.18,-4.26,-3.342722261829288
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N2CCCCCC2)c1N,C40688643_decoy,GCR,Decoy,0,-8.23141,-3.87,-2.39,-3.325745546207569
Nc1c(Nc2ccc(Br)cc2F)ncnc1Oc1ccc(Br)c2cccnc12,C40796757_decoy,GCR,Decoy,0,-10.0199,-5.25,-1.09,-5.229489663193116
Cc1c(C(=O)NNC(=O)c2ccccc2Br)oc2c1/C(=N/Nc1ccccc1)CCC2,C40824234_decoy,GCR,Decoy,0,-7.97095,-4.37,-2.92,-4.062276512354822
Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)oc2c1/C(=N/Nc1ccccc1)CCC2,C40824237_decoy,GCR,Decoy,0,-12.1127,-4.19,-4.67,-5.178938208354641
CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O,C08920850_decoy,GCR,Decoy,0,-13.2132,10.02,-4.38,-1.544448952403195
CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O,C08920855_decoy,GCR,Decoy,0,-14.1027,-2.92,-1.37,-5.880435741395009
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1,C09327404_decoy,GCR,Decoy,0,-10.9886,-3.4,-1.8,-4.4231875148764725
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1OCc1ccc(Br)cc1,C20530245_decoy,GCR,Decoy,0,-11.2969,-3.77,-4.4,-4.944503993660128
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c(C)c1,C15643089_decoy,GCR,Decoy,0,-8.15993,-5.17,-2.73,-4.211460707196319
CCOC1=C/C(=C\NNC(=O)c2cc3ccccc3cc2O)C(Br)=C(Br)C1=O,C08843012_decoy,GCR,Decoy,0,-9.36469,-3.76,-2.39,-4.473180415168534
CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Br)cc2)NC(=S)N1,C59384236_decoy,GCR,Decoy,0,-10.8732,-3.18,-1.38,-4.833241934664203
Oc1c(Br)cc(/C=N/c2ccc3[nH]c(-c4ccccc4)nc3c2)c(O)c1Br,C15962110_decoy,GCR,Decoy,0,-12.0725,-4.58,-3.9,-4.690128349750899
Cc1ccc(O)c(NC(=O)CSc2nc(=O)c3c(-c4ccc(C)c(C)c4)c(C)sc3[nH]2)c1,C62038475_decoy,GCR,Decoy,0,-12.9491,-4.31,-2.25,-5.922701257927352
O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1,C12559601_decoy,GCR,Decoy,0,-6.38772,-5.0,-0.87,-3.713505779811812
CCOc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O,C15946264_decoy,GCR,Decoy,0,-12.5039,-2.08,-1.0,-4.90984559171752
C[C@H]1CCCN(c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2[N+](=O)[O-])C1,C04046005_decoy,GCR,Decoy,0,-5.77216,-5.14,-3.38,-3.169968828816492
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Br)cc2)c1O,C00848923_decoy,GCR,Decoy,0,-12.1427,12.34,-0.48,0.0813419755202394
C[C@@H]1CCc2c(sc3nc(SCc4nc5ccsc5c(=O)[nH]4)n(-c4ccccc4)c(=O)c23)C1,C08632541_decoy,GCR,Decoy,0,-8.14141,-3.57,-4.69,-3.07751894928366
O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1ccc(Br)s1,C08923613_decoy,GCR,Decoy,0,-11.3439,-4.04,-1.38,-5.012538067329171
Cc1c(C(=O)Nc2ccc(F)cc2F)sc2nc3n(c(=O)c12)N=C(c1ccc(Cl)cc1)CS3,C09475157_decoy,GCR,Decoy,0,-11.6153,-4.32,-2.21,-4.579510402761409
Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3n(c(=O)c12)N=C(c1ccc(Cl)s1)CS3,C09475171_decoy,GCR,Decoy,0,-12.7846,-2.73,-4.51,-4.850166493856181
Cc1sc2nc(CSc3ccc(Br)cc3)nc(N[C@H]3CCS(=O)(=O)C3)c2c1C,C09866371_decoy,GCR,Decoy,0,-11.7649,-4.61,-2.74,-5.302095743196677
O=C(C[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Br)cc21)c1ccc(Cl)cc1Cl,C09926171_decoy,GCR,Decoy,0,-10.7818,-9.69,-1.53,-10.227229689953514
Cc1cc(Br)c(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(Br)c1,C10796265_decoy,GCR,Decoy,0,-11.9063,-9.28,-3.62,-10.221294017096474
O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccc(I)cc1,C03313712_decoy,GCR,Decoy,0,-9.42491,-3.67,-1.02,-4.596757598203324
C[C@H]1CCc2c(sc3nc(CSc4nc5sccc5c(=O)n4C4CCCCC4)[nH]c(=O)c23)C1,C02638095_decoy,GCR,Decoy,0,-6.56049,-4.51,-4.26,-3.550332472751411
CSc1nc(NS(=O)(=O)c2ccc(C)cc2)c(C#N)c(-c2ccc(Cl)cc2)c1Br,C16310413_decoy,GCR,Decoy,0,-10.6308,-3.96,-2.41,-4.793759552200613
O=C(CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCC3)c1ccc(Br)cc1,C02922640_decoy,GCR,Decoy,0,-10.0695,-5.24,-1.54,-5.228543064502269
Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cccc(I)c3)CC2)n1,C17012495_decoy,GCR,Decoy,0,-10.3864,8.34,-3.68,-0.7393601049354336
O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Br)c2ccccc21)c1ccc(Br)cc1,C17086635_decoy,GCR,Decoy,0,-11.1589,-4.63,-2.72,-5.354259874382976
O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(Br)cc21)c1cccs1,C17086717_decoy,GCR,Decoy,0,-12.3286,-4.6,-3.05,-5.407517350834189
O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccc(Br)s1,C17086735_decoy,GCR,Decoy,0,-12.2889,-9.11,,99.0
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)C1=O,C19298039_decoy,GCR,Decoy,0,-5.11648,-4.35,-5.15,-2.69570562247791
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)C1=O,C19298042_decoy,GCR,Decoy,0,-10.5529,2.16,-4.02,-3.079617109245273
Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(Cl)c([C@@H](C#N)c4ccc(Cl)cc4)cc3C)CC2=O)c1,C20373868_decoy,GCR,Decoy,0,-13.1097,-4.25,-4.77,-5.583853007969417
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)c1ccc(Cl)cc1,C21344160_decoy,GCR,Decoy,0,-10.7506,-6.73,-3.35,-7.864950349090927
O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1)Nc1c(Cl)cc(Cl)cc1Cl,C13018014_decoy,GCR,Decoy,0,-12.5714,-9.67,-1.63,-11.278240215396297
O=C(Nc1cc(Cl)cc2cccnc12)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,C22994099_decoy,GCR,Decoy,0,-11.3909,-3.99,-2.65,-4.595475131739752
C[C@H](Sc1nc2scc(-c3cccs3)c2c(=O)n1C)C(=O)Nc1ccc(Cl)cc1Cl,C23596623_decoy,GCR,Decoy,0,-10.1634,-3.34,-3.09,-4.1588286995344825
Cc1nc(C2(NS(=O)(=O)c3cc(Br)ccc3Br)CCCCCC2)no1,C24689073_decoy,GCR,Decoy,0,-10.1139,-3.53,-0.22,-4.65922275559884
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@H]3C(=O)Nc2ccc(Cl)cc2)c(C)c1,C16037796_decoy,GCR,Decoy,0,-7.7344,-4.37,-2.81,-3.947709602089197
Cc1ccc(-n2c(N3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)nc3ccsc3c2=O)cc1,C33175403_decoy,GCR,Decoy,0,-7.42249,-3.74,-2.19,-3.6322621838754894
O=C(Nc1c(Cl)cccc1Cl)N1CCC[C@H](c2nc(-c3ccc(Br)cc3)no2)C1,C35290141_decoy,GCR,Decoy,0,-9.6115,-4.17,-1.2,-4.814354218196494
Cc1cccc(NC(=O)N2CCN(c3nc(C4CCCCC4)nc4sc5c(c34)CCCC5)CC2)c1C,C35866929_decoy,GCR,Decoy,0,-7.84658,-2.97,-3.64,-3.412914046148907
Cc1cccc(C)c1NC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c23)CCCC4)CC1,C35866944_decoy,GCR,Decoy,0,-8.51572,-3.88,-4.68,-4.142951459998146
CC[C@H](C)c1nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c2c3c(sc2n1)CCCC3,C35866984_decoy,GCR,Decoy,0,-12.5165,-2.17,-3.57,-4.882681884479028
CC[C@@H](C)c1nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C35867332_decoy,GCR,Decoy,0,-7.57663,-2.7,-5.05,-3.274297225846647
CC(C)Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c2c3c(sc2n1)C[C@H](C)CC3,C35867567_decoy,GCR,Decoy,0,-7.71507,-3.67,-4.12,-3.614501261383534
Cc1ccc(-c2nc3sc4cc(Cl)ccc4n3c2CN2CCN(C(=O)NC(C)(C)C)CC2)cc1,C37399269_decoy,GCR,Decoy,0,-8.81767,-2.64,-3.67,-3.637349341291946
Cc1c(-c2ccccc2O)c2c(n1S(=O)(=O)C(C)C)-c1nc3ccccc3c(Cl)c1C(=O)CC2,C39457188_decoy,GCR,Decoy,0,-6.82571,-3.6,-4.88,-3.165942077890381
Cc1c(-c2ccccc2O)c2c(n1Cl)-c1nc3ccccc3c(S(=O)(=O)C(C)C)c1C(=O)CC2,C39457668_decoy,GCR,Decoy,0,-6.93094,-3.81,-3.17,-2.978186130743428
CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@]1(C)/C(=N/OC(=O)c1ccccc1Br)C2,C33960546_decoy,GCR,Decoy,0,-11.5457,-4.31,-1.26,-5.150388032776058
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1,C39869133_decoy,GCR,Decoy,0,-8.09272,-3.82,-1.94,-3.794706714593898
Cc1ccc2c(CC(=O)Nc3c(C(=O)c4ccc(Br)cc4)oc4ccccc34)coc2c1C,C39883894_decoy,GCR,Decoy,0,-9.6597,-4.61,-2.97,-4.764608577646105
CN(C)c1ccc(-c2nc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3O4)c(-c3ccccc3)[nH]2)cc1,C39550690_decoy,GCR,Decoy,0,-5.5498,-4.07,-3.14,-2.611586202055503
CCOC(=O)c1c(/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)sc2c1CCCC2,C02296755_decoy,GCR,Decoy,0,-8.61975,-3.55,-4.66,-3.4280148994107007
O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ccc(O)cc1,C00885839_decoy,GCR,Decoy,0,-10.1435,-3.05,-1.52,-3.503924770455209
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Br)cc2)CCCC4)c(C)c1,C01751079_decoy,GCR,Decoy,0,-8.32502,-3.17,-4.74,-3.397754615787646
Cc1ccc2nc(SCC(=O)N3N=C4/C(=C/c5cccs5)CCC[C@H]4[C@H]3c3cccs3)[nH]c2c1,C14360477_decoy,GCR,Decoy,0,-11.2836,-3.37,-3.5,-4.719049614723168
Cc1ccc2nc(SCC(=O)N3N=C4/C(=C/c5cccs5)CCC[C@H]4[C@@H]3c3cccs3)[nH]c2c1,C14360472_decoy,GCR,Decoy,0,-10.511,-3.58,-1.26,-6.141803041109246
Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)cc1I,C57316040_decoy,GCR,Decoy,0,-11.2539,-3.8,-2.95,-4.678076665771853
O=C(N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1ccc(Br)cc1,C59159037_decoy,GCR,Decoy,0,-8.77794,-2.99,-4.06,-4.1259200920724695
O=C(Nc1ccc(Cl)cc1)N1CCCN(c2nc3cc(Br)ccc3n3cccc23)CC1,C64473240_decoy,GCR,Decoy,0,-6.50804,-3.44,-0.83,-3.2796839200508576
Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2c(F)cccc2Cl)CC(c2ccc(Cl)cc2)=N3)cc1,C64790744_decoy,GCR,Decoy,0,-8.12412,0.44,-3.78,-2.405395004232382
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Br)c1OCc1ccc(C)cc1,C65002514_decoy,GCR,Decoy,0,-12.4861,-3.67,-1.55,-5.629445562986099
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cc2ccccc2cc1O,C02544314_decoy,GCR,Decoy,0,-11.7883,-6.69,-1.87,-6.992527713482879
CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)s2)cc1,C03328233_decoy,GCR,Decoy,0,-10.8349,-4.28,-4.45,-5.136379137726416
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C,C02852239_decoy,GCR,Decoy,0,-9.25024,-4.66,-5.32,-4.433874215523391
COc1ccc(C(=O)c2sc3nc4c(c(-c5ccc(OC)cc5)c3c2N)-c2ccccc2C4=O)cc1,C02150700_decoy,GCR,Decoy,0,-6.19397,-3.11,-1.43,-2.8827475687226687
CC(C)=CCCC1=CC[C@H](/C=N/n2c(O)nc3c([nH]c4ccc(Br)cc43)c2=O)[C@@H](C)C1,C08743111_decoy,GCR,Decoy,0,-11.477,-3.31,-2.2,-4.592018075062266
CCOc1ccccc1NC(=O)c1c(NC(=O)C2C3CC4CC(C3)CC2C4)sc2c1CCCCC2,C08781327_decoy,GCR,Decoy,0,-7.7485,-3.55,-3.94,-3.48274181519368
Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc14)C(=O)N2)C[C@H](C(C)(C)C)CC3,C08870428_decoy,GCR,Decoy,0,-9.78212,-4.15,-2.85,-4.249549471586555
O=S(=O)(Nc1cc(Sc2nc3ccccc3o2)c(O)c2ccccc12)c1ccc2ccccc2c1,C08870802_decoy,GCR,Decoy,0,-8.51679,-5.21,-2.26,-4.584291686845324
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl,C08835273_decoy,GCR,Decoy,0,-8.58072,-3.07,-6.08,-3.849675785046952
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1,C08833384_decoy,GCR,Decoy,0,-14.0935,-3.95,-3.76,-5.568914226966812
CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1,C08903076_decoy,GCR,Decoy,0,-13.5112,-3.74,-0.91,-5.386226392878384
Cc1cc2nnc(SCC(=O)Nc3ccc(Nc4ccccc4)cc3)n2c2ccc(Cl)cc12,C01924590_decoy,GCR,Decoy,0,-9.95535,-5.27,-3.19,-4.802540869741767
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc(C(=O)c3ccccc3)cc1N2,C09779503_decoy,GCR,Decoy,0,-6.03216,-3.27,-4.59,-2.620166403430424
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccccc1Br,C10060107_decoy,GCR,Decoy,0,-11.6654,-1.38,-2.05,-5.230180053594706
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)/C=C/c4cccc5ccccc45)cc3)sc2c1,C12497228_decoy,GCR,Decoy,0,-8.0396,-6.16,-2.92,-4.457470437132374
Cc1ccc(-c2csc3nc(CSc4nnc(Nc5c(C)cccc5C)s4)[nH]c(=O)c23)cc1,C13134235_decoy,GCR,Decoy,0,-10.3117,-2.9,-2.1,-3.8076537506178254
Cc1[nH]c(=O)c2c(cc(-c3ccc(F)nc3F)c3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C,C13494049_decoy,GCR,Decoy,0,-5.60435,-2.47,-2.86,-2.072015791179529
CC(C)CCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)NC1CCCCC1,C13635410_decoy,GCR,Decoy,0,-6.818,-2.79,-4.67,-2.863320792266148
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1cc(Cl)ccc1O,C13892817_decoy,GCR,Decoy,0,-9.37395,-7.14,-3.6,-6.060371612119269
CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1,C14274656_decoy,GCR,Decoy,0,-11.5178,-4.35,-5.26,-5.743507485801097
Cc1ccc(-c2nc(SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)[nH]c2-c2ccc(C)cc2)cc1,C14359345_decoy,GCR,Decoy,0,-9.09884,-4.39,-2.09,-4.298569580749295
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1[N+](=O)[O-],C20881938_decoy,GCR,Decoy,0,-5.64605,-2.82,-1.78,-2.2122603959162035
Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)cc(-c2nc3cc(C(C)C)ccc3o2)c1O,C30828662_decoy,GCR,Decoy,0,-11.3359,-3.35,-4.95,-4.246124978931515
C[C@H]1CCCCN1/N=N/c1ccc(Br)cc1-c1nc(N)c2cc(Br)ccc2n1,C17046962_decoy,GCR,Decoy,0,-7.12159,-3.69,-3.64,-2.9230373860603414
Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)ccc1NC(=O)c1cc2ccccc2o1,C32112028_decoy,GCR,Decoy,0,-12.108,14.38,-3.65,0.7761878802178849
C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(NC(=O)c2ccccc2C)cc1,C35111811_decoy,GCR,Decoy,0,-6.18171,-3.83,-1.82,-3.082800840364339
Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C(F)(F)F)CC[C@@H](C(C)(C)C)C3)c1,C35238464_decoy,GCR,Decoy,0,-7.12657,-3.25,-5.02,-3.2601736117988067
O=[N+]([O-])c1cc(Br)cc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1O,C36033887_decoy,GCR,Decoy,0,-10.7571,-2.93,-2.17,-4.276561344955539
Cc1ccc(C)c(CN2C(=O)/C(=N/NC(=S)Nc3ccc(C)c(C)c3)c3cc(Br)ccc32)c1,C03044209_decoy,GCR,Decoy,0,-12.2843,-6.12,-4.66,-6.959454566777147
Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(C(C)C)cc3)oc2c1,C38687066_decoy,GCR,Decoy,0,-11.5188,-4.18,-2.96,-4.650591017643808
Cc1cc(C)c2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(C(C)C)cc3)oc2c1,C38687096_decoy,GCR,Decoy,0,-12.2474,-5.36,-3.92,-5.404690717995039
Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)Nc3ccc(Br)cc3)c2c1,C39867297_decoy,GCR,Decoy,0,-9.43716,-3.45,-3.48,-4.213601239227802
CCCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CC(C)(C)CC1=O)N2,C40476327_decoy,GCR,Decoy,0,-7.07161,-4.78,-3.64,-3.861106581936395
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(Br)cc1,C39914409_decoy,GCR,Decoy,0,-10.281,-3.47,-1.7,-4.87178625467533
COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1Cl,C40717300_decoy,GCR,Decoy,0,-10.2619,-3.07,-3.38,-4.332234240733096
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(-c4ccccc4)cc2)CCC3)c(C)c1,C40822584_decoy,GCR,Decoy,0,-6.89088,-3.33,-2.34,-3.160301080352168
Cc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)CCC2,C40822647_decoy,GCR,Decoy,0,-11.4676,18.43,-2.04,2.7834555953771947
CCCSc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,C41023061_decoy,GCR,Decoy,0,-6.45735,-3.9,-4.09,-3.689384016798527
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1,C48572592_decoy,GCR,Decoy,0,-10.4864,-8.47,-1.94,-8.203596880145005
O=C(Nc1ccc(Cl)cc1)N1NC2=C(CCC/C2=C\c2ccc(F)cc2)[C@H]1c1ccc(F)cc1,C03196417_decoy,GCR,Decoy,0,-6.60693,-3.86,-2.05,-3.246240439024011
CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2sccc2C)n2nc(SCc3ccccc3Cl)nc2N1,C01283609_decoy,GCR,Decoy,0,-12.3476,-3.33,-3.69,-4.967295224617461
CC(C)(C)NC(=O)c1sc2c(NC(=O)c3sc4ccccc4c3Cl)cccc2c1Cl,C57313908_decoy,GCR,Decoy,0,-9.41366,-2.22,-3.34,-3.8505588882844304
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2,C58848017_decoy,GCR,Decoy,0,-12.3768,-4.66,-4.16,-5.097958180660728
O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccccc1O,C58871808_decoy,GCR,Decoy,0,-6.90255,-2.59,-4.6,-2.869005229940797
C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2,C58917150_decoy,GCR,Decoy,0,-13.248,-4.76,-3.94,-6.772441358963186
C[C@@H]1C[C@@H](N(C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2N1C(=O)NC1CCCCC1,C59428183_decoy,GCR,Decoy,0,-6.28395,-2.92,-3.11,-3.231925567579549
O=C(CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCCCC1)Nc1cc(Cl)cc(Cl)c1,C59499319_decoy,GCR,Decoy,0,-11.0544,-9.6,-2.87,-13.928765851312685
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1,C20150960_decoy,GCR,Decoy,0,-12.6494,5.75,-7.49,-2.54926535596813
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1,C15946221_decoy,GCR,Decoy,0,-11.9018,-5.35,-1.89,-5.88552985164764
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1,C15946225_decoy,GCR,Decoy,0,-13.2007,29.86,-1.28,6.71063883633158
COc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)N=C(C)C2C(=O)OC(C)C)cc(Br)c1O,C00708093_decoy,GCR,Decoy,0,-10.8696,-3.37,-4.96,-4.646797699022049
O=C(c1ccc2ccccc2c1)N1C[C@@H]2C[C@H](C1)c1ccc(NCc3ccc(-c4ccccn4)cc3)c(=O)n1C2,C04147490_decoy,GCR,Decoy,0,-6.17943,-3.83,-4.02,-3.2009720983482817
O=C(C1=C(O)C(=O)N(c2nc3ccc(Br)cc3s2)[C@H]1c1ccc(Br)cc1)c1ccccc1,C08694693_decoy,GCR,Decoy,0,-10.6008,-3.71,-3.27,-4.6538903779969125
C=C(C)Cn1c(SCC(=O)Nc2ccc(OC)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C02316184_decoy,GCR,Decoy,0,-11.787,-3.27,-4.11,-5.302511951409781
COc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3)nc3c(c2=O)S[C@@H](C)C3)cc1,C09276945_decoy,GCR,Decoy,0,-11.4979,-2.94,-4.06,-4.90317124497088
Cc1ccc(Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)cc1,C02365056_decoy,GCR,Decoy,0,-6.17641,-5.73,-4.75,-3.5000391110962346
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Br)cc3)c3ccccc32)C[C@H](C)O1,C09118551_decoy,GCR,Decoy,0,-11.0564,-9.55,-3.35,-10.0210098145501
Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc4c(c3)OCCO4)c3cc(Br)ccc32)c1,C09614485_decoy,GCR,Decoy,0,-9.43453,-4.87,-2.17,-4.902382546045663
Cc1ccc(O)c(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C(C)(C)C)C4)c1,C12447019_decoy,GCR,Decoy,0,-12.2202,-6.9,-5.28,-6.345068006201072
O=C1C[C@@H]2c3ccccc3CCN2C(=O)/C1=C/Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1,C08855435_decoy,GCR,Decoy,0,-12.4178,-7.86,-4.28,-7.404957852863035
O=C(CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4)Nc1ccccc1,C02375334_decoy,GCR,Decoy,0,-10.6058,-5.26,-2.52,-5.653658053915871
COc1ccc2c(c1)c(CC(=O)Nc1nc3c(C)cc(C)cc3s1)c(C)n2C(=O)c1ccc(Cl)cc1,C03176233_decoy,GCR,Decoy,0,-7.60529,-3.31,-2.95,-3.539143976511119
Cc1c(CCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12,C02112375_decoy,GCR,Decoy,0,-12.4827,-3.43,-4.66,-5.13443853005086
O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1cc(-c2ccco2)nc2ccccc12,C03334832_decoy,GCR,Decoy,0,-6.86925,-6.25,-3.29,-4.628783816809324
CCc1ccc(-n2c([C@@H](CC)N(C)C(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)cc1,C16429533_decoy,GCR,Decoy,0,-9.86683,-4.73,-1.65,-5.451887809262443
Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccccc3F)S2)cc1,C20490773_decoy,GCR,Decoy,0,-8.61095,-3.76,-2.54,-3.859303209196331
COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(Cl)c1,C20528902_decoy,GCR,Decoy,0,-11.9693,-4.04,-5.07,-6.119157878614085
Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CC(c4ccccc4)c4ccccc4)s3)CC2=O)cc1Cl,C20578199_decoy,GCR,Decoy,0,-12.3552,-4.32,-1.26,-5.747887399345324
Cc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3,C26464242_decoy,GCR,Decoy,0,-10.9245,-3.49,-2.55,-5.526465836355541
Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(Cl)cc4)S3)[C@H](c3ccc(F)cc3)C2)cc1,C28155613_decoy,GCR,Decoy,0,-2.65213,-4.16,-4.39,-2.251605356564488
Cc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)=NC2=O)c(C)c1,C28157137_decoy,GCR,Decoy,0,-8.0398,-4.21,-3.72,-4.322874144184345
CCc1ccc([C@@H]2CC(c3cccs3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1,C28161497_decoy,GCR,Decoy,0,-11.1964,-3.01,-6.48,-5.946457145162468
O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1-c1cccc(F)c1)c1ccc(F)cc1,C32944530_decoy,GCR,Decoy,0,-8.72739,0.24,-4.58,-2.7125712929078443
CCCCn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)CC(C)=C3CC,C34733624_decoy,GCR,Decoy,0,-9.3103,-3.24,-1.94,-4.255752013857438
CCCN(C(=O)Nc1cccc(C)c1)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1,C35038011_decoy,GCR,Decoy,0,-5.9858,-3.39,-3.11,-2.8017666537690955
CCc1nc(C)nc(N2CCCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c1Cc1cccc(F)c1,C35373051_decoy,GCR,Decoy,0,-11.1231,-4.36,-2.72,-5.024727846982155
O=C1C[C@H](c2ccc3c(c2)OCO3)N1C1(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)CCSCC1,C01412922_decoy,GCR,Decoy,0,-11.6576,-6.11,-4.36,-6.349203144246362
O=C(NC1CCCCC1)[C@H](c1cc2ccccc2c2ccccc12)N(Cc1ccco1)C(=O)c1cccnc1,C36505711_decoy,GCR,Decoy,0,-11.8265,-4.15,-3.89,-8.932574389832796
CC(C)=CC(=O)N(C)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2c2ccccc12,C36535132_decoy,GCR,Decoy,0,-7.04873,-4.58,-4.54,-4.024583663244557
CC(C)(C)N(C(=O)Cc1cccc(Cl)c1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2,C36587318_decoy,GCR,Decoy,0,-5.55856,-3.91,-4.99,-3.3212372044318634
CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4C3)cc2s1,C18069074_decoy,GCR,Decoy,0,-11.1063,-7.42,-2.46,-6.017872207592235
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)N2CCc3ccccc3C2)cc1,C38666907_decoy,GCR,Decoy,0,-7.00491,-3.89,-4.6,-3.551396190666906
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3sc4c(c3c2=O)CCN(C(C)C)C4)cc1,C39869554_decoy,GCR,Decoy,0,-7.11343,-3.49,-5.41,-3.5940232050519327
CCC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/c3c(Cl)cccc3Cl)n(-c3ccccc3)c(=O)c21,C40036338_decoy,GCR,Decoy,0,-6.98073,-2.81,-4.5,-2.8356438975786014
CCC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/C3=Cc4ccccc4OC3)n(-c3ccc(C)cc3)c(=O)c21,C40036442_decoy,GCR,Decoy,0,-7.35396,-3.37,-3.71,-3.164346131087937
O=C(N/N=C1\C(=O)N(CCCOc2ccc(Br)cc2)c2ccc(Cl)cc21)C1CCCCC1,C40138695_decoy,GCR,Decoy,0,-11.3203,-6.83,-2.52,-7.0264440249716165
O=C(N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccc(Br)cc21)C1CCCCC1,C40140838_decoy,GCR,Decoy,0,-6.84166,-4.75,-2.92,-3.93493486377191
C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2F)C1)c1ccc(F)cc1,C40900033_decoy,GCR,Decoy,0,-11.8698,-9.04,-2.06,-8.472549757528219
CCCSc1nc2n(n1)[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C1=C(CCCC1=O)N2,C40981676_decoy,GCR,Decoy,0,-10.4791,-3.06,-4.53,-4.326051433816065
CCCSc1nc2n(n1)[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2,C40982314_decoy,GCR,Decoy,0,-7.44979,-3.36,-3.7,-3.2002179143337552
[H]/N=C1C(=C\c2cn(C[C@@H](C)COc3ccccc3)c3ccccc23)\C(=O)N=C2SC=C(c3ccccc3)N2\1,C13785866_decoy,GCR,Decoy,0,-11.0755,-4.03,-3.02,-5.299694203034629
Cn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccco1,C01278823_decoy,GCR,Decoy,0,-11.0653,-7.55,-4.37,-8.069895040045822
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(I)o1,C01424982_decoy,GCR,Decoy,0,-11.2164,-5.14,-0.92,-6.22711307011213
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl,C01818545_decoy,GCR,Decoy,0,-10.1815,-7.17,-3.56,-8.951914677632985
COc1ccc(C(=O)[C@H]2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1,C01897220_decoy,GCR,Decoy,0,-5.88017,-5.7,-2.26,-3.846615166577476
Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)n2)cc1,C58961269_decoy,GCR,Decoy,0,-10.637,-5.61,-4.43,-9.22898216505139
N#C/C(=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1ccc2c(c1)OCO2,C59087274_decoy,GCR,Decoy,0,-10.6411,-4.57,-1.49,-5.52537721448902
N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2,C59291884_decoy,GCR,Decoy,0,-10.2798,-5.81,-2.91,-7.865493771893936
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3cccc(OC(C)C)c3)c2=O)=N1,C59638966_decoy,GCR,Decoy,0,-9.39028,-2.87,-1.74,-4.172787426343554
CCCc1ccc(C2=N[C@H](NC(=O)c3ccc(C4=NC(=O)C5=C(CC)[C@H](C)SC5=N4)cc3)SC2)cc1,C39944601_decoy,GCR,Decoy,0,-14.6505,1.64,-4.48,-4.771625303809643
O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1F,C02981839_decoy,GCR,Decoy,0,-12.5049,-7.89,-2.42,-7.71979239589181
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1c2ccccc2cc2ccccc12,C03162617_decoy,GCR,Decoy,0,-7.75863,-6.05,-2.72,-4.609765604925896
O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1,C08831502_decoy,GCR,Decoy,0,-10.3687,-7.25,-0.99,-7.574608301274656
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc3c(cc1Br)OCO3)Nc1ccccc1N2,C00651675_decoy,GCR,Decoy,0,-7.21749,-3.93,-4.91,-3.194871199392506
Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)c1,C01985173_decoy,GCR,Decoy,0,-11.38,-5.33,-3.86,-5.621379838471721
Cc1ccccc1[C@H]1C(/C=N/NC(=O)c2ccccc2O)=C(c2ccccc2)Oc2ccccc21,C02266940_decoy,GCR,Decoy,0,-5.26381,-3.46,-4.82,-2.8518760511243686
Cc1cccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c1C,C09196091_decoy,GCR,Decoy,0,-10.0152,-7.97,-2.68,-8.328969958121988
Cc1ccc(NC(=O)CSCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)cc1C,C02616053_decoy,GCR,Decoy,0,-8.57925,-3.65,-3.46,-3.8423673137791776
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)cc(Br)c1O,C02320750_decoy,GCR,Decoy,0,-12.2673,-5.11,-1.99,-6.31570961373364
O=C(Nc1ccccc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1,C13512603_decoy,GCR,Decoy,0,-7.56554,-3.24,-3.02,-3.708781230909497
O=C(CNC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)c(F)c1F,C14081169_decoy,GCR,Decoy,0,-10.9018,-10.64,-3.72,-10.265975887548292
Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1,C14270708_decoy,GCR,Decoy,0,-12.1245,-4.42,-2.77,-5.239177453517661
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1Cl)c1ccccc1Br,C03080330_decoy,GCR,Decoy,0,-8.12998,-4.22,-3.88,-4.174600316926819
Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(I)cc2)o1,C01425115_decoy,GCR,Decoy,0,-9.34195,-3.19,-0.78,-4.606843255394434
O=C(Nc1ccc(Br)cc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1,C15775486_decoy,GCR,Decoy,0,-7.17022,-3.81,-2.19,-3.695705186087082
O=C(Nc1ccc(Br)cc1)/C(=C/c1cccc(Br)c1)NC(=O)c1ccco1,C15775517_decoy,GCR,Decoy,0,-9.97219,-3.42,-3.79,-4.647857394225063
Cc1cc(Br)c2c(c1NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O,C16268832_decoy,GCR,Decoy,0,-7.43039,-4.73,-0.53,-3.822289014617611
C[C@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1c(F)cccc1F,C16543375_decoy,GCR,Decoy,0,-10.2988,-7.87,-1.49,-7.5066756486677555
O=C(C[C@]1(O)C(=O)N(Cc2ccc3ccccc3c2)c2ccc(Br)cc21)c1ccccc1O,C16545801_decoy,GCR,Decoy,0,-10.3214,-4.64,-2.47,-5.036596772335578
Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Cl)ccc1O)C1=C(C[C@H](c3cccs3)CC1=O)N2,C18197735_decoy,GCR,Decoy,0,-6.63314,-3.48,-1.64,-2.756502913120846
CC(C)(C)NC(=O)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1,C19800269_decoy,GCR,Decoy,0,-10.499,-4.26,-1.18,-4.911624723126121
CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1,C00688422_decoy,GCR,Decoy,0,-10.0199,-2.88,-2.03,-4.1579855581326255
CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1,C08413240_decoy,GCR,Decoy,0,-11.2059,-3.29,-1.33,-4.7161983313957405
O=C(COc1ccc(Cl)cc1Br)Nc1ccc(C(=O)NC2CCCCC2)cc1,C20058239_decoy,GCR,Decoy,0,-11.6297,-6.91,-4.3,-8.585987730689315
C[C@@H](NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc2c(c1)CCCC2,C20065477_decoy,GCR,Decoy,0,-10.7727,-9.47,-3.37,-8.139612818157941
CSc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1,C20275273_decoy,GCR,Decoy,0,-7.50095,-2.81,-2.98,-3.2686496890250147
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(-c2ccc(CO)o2)cc1,C20429025_decoy,GCR,Decoy,0,-12.0684,7.05,-2.27,-1.8024940265327565
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2cccc3ccccc23)C1,C20467899_decoy,GCR,Decoy,0,-7.903,-3.86,-4.97,-3.6446123303487976
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2sccc2C)N3)cc1,C20687877_decoy,GCR,Decoy,0,-11.2939,-3.02,-1.8,-4.6798836317520935
COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)ccc1NC(=O)c1cccs1,C21004279_decoy,GCR,Decoy,0,-6.54018,-2.77,-4.34,-3.1194268715935056
O=C(Nc1cccnc1NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,C23550086_decoy,GCR,Decoy,0,-7.14861,-2.7,-2.55,-3.053392778226153
O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1,C25142715_decoy,GCR,Decoy,0,-11.0436,-4.4,-3.86,-5.457641451060216
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccccc2)cc1,C28308258_decoy,GCR,Decoy,0,-6.19667,-4.57,-3.93,-3.663428702172031
CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N/N=C\c1ccc(Br)cc1,C30956322_decoy,GCR,Decoy,0,-10.4042,-7.7,-1.73,-8.600898533310042
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1C,C32116728_decoy,GCR,Decoy,0,-11.2086,-3.12,-4.04,-4.597252255827886
C/C(=N\NC(=O)c1csc2c1CCCC2)c1cccc(NC(=O)c2ccc(Cl)s2)c1,C08456116_decoy,GCR,Decoy,0,-11.9812,-4.0,-2.22,-5.146979753706897
O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1c(Cl)cccc1Cl,C02626028_decoy,GCR,Decoy,0,-9.82302,-6.82,-1.39,-7.546338215683603
C/C(=N/NC(=O)c1csc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)s2)c1,C33686618_decoy,GCR,Decoy,0,-7.84939,-3.37,-4.1,-3.460328508548256
CCc1ccccc1NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@H](C(C)(C)C)C2,C33706634_decoy,GCR,Decoy,0,-6.67895,-3.51,-4.18,-3.4103345255505566
O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(C(=O)C1CCCCC1)c1ccccc1Cl,C36540804_decoy,GCR,Decoy,0,-10.9655,-3.25,-4.39,-4.734160865976248
CC(C)NC(=O)c1c(NC(=O)c2cc3sccc3n2C2CCCC2)sc2c1CCCC2,C40799583_decoy,GCR,Decoy,0,-12.9577,-3.6,-3.51,-6.002319954303236
Cc1ccc(CCn2c(-c3cc(-c4ccc(Cl)cc4Cl)no3)cc(C(N)=O)c2C)cc1,C33931088_decoy,GCR,Decoy,0,-11.5256,-3.73,-3.13,-4.962749042304329
CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(Cl)c(Cl)c1,C09327412_decoy,GCR,Decoy,0,-13.118,-4.57,-3.51,-5.891606761129018
C[C@@H]1[C@H]2C[C@@H](C[C@H]1C(=O)N(c1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1O)C2(C)C,C36605697_decoy,GCR,Decoy,0,-8.01876,-3.5,-2.14,-4.031137611986252
CSc1ccccc1NC(=O)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F,C00674033_decoy,GCR,Decoy,0,-11.2247,-3.22,-3.27,-4.529571116454615
Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Br)cc4)c3)nc2c1,C59365775_decoy,GCR,Decoy,0,-10.581,-6.12,-2.4,-6.027954035674332
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1,C20197221_decoy,GCR,Decoy,0,-10.1752,-6.85,-1.04,-6.659652314721578
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(-c2ccc(CO)o2)cc1,C20150917_decoy,GCR,Decoy,0,-12.7667,-3.3,-1.27,-5.741910727693462
O=C(CSc1nc(-c2cccc(Cl)c2)n[nH]1)Nc1ccc(Br)cc1Br,C59793535_decoy,GCR,Decoy,0,-10.6015,-6.22,-2.47,-6.742414646532891
Cc1cc2c(cc1C)N(CC(=O)NCc1ccc(F)cc1)C(=O)C=C(c1ccc(Br)s1)N2,C64869076_decoy,GCR,Decoy,0,-10.604,-2.58,-2.66,-4.200969195744926
Cc1cccc(C)c1/N=C1\NC(=S)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C12CCC(C)CC2,C03144118_decoy,GCR,Decoy,0,-8.24028,-4.2,-3.21,-3.809212286731893
COc1cc(Cl)cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1O,C02084664_decoy,GCR,Decoy,0,-8.21574,-2.97,-3.06,-3.4233596918616507
O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2,C03054262_decoy,GCR,Decoy,0,-6.25426,-4.06,-3.52,-3.234613176813423
S=C(Nc1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2,C02329305_decoy,GCR,Decoy,0,-12.2278,-5.16,-4.1,-5.573132795040469
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Br)cc1F,C09057480_decoy,GCR,Decoy,0,-8.06038,-8.04,-1.84,-5.189519496568757
O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1,C09296693_decoy,GCR,Decoy,0,-11.1265,-2.75,-3.53,-4.157781354692676
O=C(COc1ccc(I)cc1)N/N=C/c1c2ccccc2cc2ccccc12,C03192753_decoy,GCR,Decoy,0,-7.70707,-6.68,-3.7,-5.132413230358647
Clc1cc(Cl)c(N/N=C2\C(SCc3c(Cl)cccc3Cl)=Nc3ccccc32)c(Cl)c1,C12960766_decoy,GCR,Decoy,0,-7.5065,-9.27,-2.27,-5.41410367316097
O=C(NC(=S)c1c(-c2ccc(F)cc2)c2c3n(c4c(F)c(F)ccc4n13)CCCC2)c1ccccc1,C03210442_decoy,GCR,Decoy,0,-8.72714,-3.03,-0.97,-3.813005966792098
Cc1cc(C)cc(NC(=S)c2c(-c3ccccc3)c3c4n(c(-c5ccc(Cl)cc5)cn24)CCCC3)c1,C03228752_decoy,GCR,Decoy,0,-7.74404,9.89,-5.38,0.6737791618049866
Cc1ccc(-n2c(N/N=C/c3ccc(Cl)cc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C13764176_decoy,GCR,Decoy,0,-11.317,-4.04,-3.71,-4.573037971102552
O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(-c2ccc(Br)cc2)o1,C02412594_decoy,GCR,Decoy,0,-11.8241,-4.6,-3.48,-4.778825289850468
C1=C[C@@H]2c3cccc(OCCOc4ccccc4)c3N[C@H](c3c4ccccc4cc4ccccc34)[C@H]2C1,C14549396_decoy,GCR,Decoy,0,-6.36092,-4.54,-2.67,-3.29404139280403
Cc1ccc(NC(=S)c2c(-c3ccc(F)cc3)c3c4n(c(-c5ccc(C)cc5)cn24)CCCC3)cc1,C15022058_decoy,GCR,Decoy,0,-7.11376,5.7,-3.96,-0.473355344500281
CN1/C(=C2\S/C(=N\c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)Sc2ccccc21,C15946285_decoy,GCR,Decoy,0,-6.9591,-1.95,-3.43,-2.224575677378501
[H]/N=C1/S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1c1cc(C)ccc1C,C19772272_decoy,GCR,Decoy,0,-9.35792,-9.43,-2.81,-8.101004265095789
CCOc1ccc(NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccc(Br)cc23)cc1,C02766957_decoy,GCR,Decoy,0,-7.6772,-3.44,-2.98,-3.63927874879864
Cc1ccc(C)c(-c2cc(C(=O)Nc3cc(C(C)(C)C)on3)c3cc(Br)ccc3n2)c1,C02772847_decoy,GCR,Decoy,0,-6.91425,0.65,-2.75,-1.9362504615565264
C1=C[C@H]2c3cccc(OCCOc4ccccc4)c3N[C@H](c3c4ccccc4cc4ccccc34)[C@@H]2C1,C20753778_decoy,GCR,Decoy,0,-7.27447,-5.46,-4.23,-4.39542494881571
COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CCCC4)cc1,C21539510_decoy,GCR,Decoy,0,-4.60728,-3.06,-1.69,-2.411291725239148
CCOc1ccc(NC(=O)N2Cc3c(sc4c3CCCC4)-n3cccc3[C@@H]2c2ccc(F)cc2)cc1,C21917586_decoy,GCR,Decoy,0,-5.17981,-3.19,-3.86,-2.8463388919217683
CCOc1ccc(NC(=O)N2Cc3c(sc4c3CCCC4)-n3cccc3[C@H]2c2ccc(C)cc2)cc1,C21917984_decoy,GCR,Decoy,0,-4.67187,-2.59,-4.28,-2.349878789332503
CC1=CC[C@@H](C(=O)NN2C(=O)c3cccc4cccc(c34)C2=O)[C@@H](c2ccc(Br)cc2)C1,C27569949_decoy,GCR,Decoy,0,-6.02467,-2.57,-2.45,-2.313114222159674
Cc1cccc(C2=CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)c1,C28768184_decoy,GCR,Decoy,0,-11.189,-6.7,-1.71,-5.596480170797229
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1,C01862940_decoy,GCR,Decoy,0,-7.41729,-4.02,-1.75,-3.7925471465831726
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(Br)c4)c3)nc2c1,C02594625_decoy,GCR,Decoy,0,-11.9565,-2.22,-2.72,-4.56218401843386
Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2ccccc2O)c1,C13286119_decoy,GCR,Decoy,0,-7.35655,-3.86,-3.12,-2.914392923841368
CCc1ccccc1NC(=O)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@H]1c1ccc(N(C)C)cc1,C33040590_decoy,GCR,Decoy,0,-5.66501,-6.21,-4.72,-3.9031885563061857
CC1=C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H](/C=C/c2ccccc2)C2=C(N1)c1ccccc1C2=O,C36011808_decoy,GCR,Decoy,0,-6.41408,-3.97,-2.68,-3.532617579042918
CCCN(C(=O)C#Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1cc2ccccc2c2ccccc12,C36570389_decoy,GCR,Decoy,0,-9.36464,-3.76,-5.63,-4.494304698120988
CSc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CC[C@H](C)C4)sc2c1,C36645633_decoy,GCR,Decoy,0,-9.55086,-2.26,-5.06,-3.392158369752512
CSc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCCC4)sc2c1,C36645652_decoy,GCR,Decoy,0,-7.80013,-3.49,-4.32,-3.238668854257249
O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12,C39892411_decoy,GCR,Decoy,0,-12.1955,-3.47,-5.26,-4.407234558834159
Cc1ccc(-n2c(N/N=C/c3cccc(Cl)c3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C40036742_decoy,GCR,Decoy,0,-8.42146,-4.08,-4.92,-3.8154764398525343
O=c1c2c(nc(N/N=C/c3cccc4ccccc34)n1-c1ccccc1)-c1ccccc1CC21CCCCC1,C40036814_decoy,GCR,Decoy,0,-6.56141,-4.81,-4.89,-3.8719382102994255
Cc1cc(C)c2oc(C(=O)Nc3c(C(=O)c4ccc(Br)cc4)oc4ccccc34)c(C)c2c1,C40038135_decoy,GCR,Decoy,0,-6.2554,-7.51,-2.41,-4.447248306017556
CC(C)(C)c1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)s2)cc(C(C)(C)C)c1O,C12855926_decoy,GCR,Decoy,0,-12.3555,-3.04,-3.86,-4.765394691476077
O=C1N=C(N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(Cl)cc2)S/C1=C\c1ccccc1O,C54201651_decoy,GCR,Decoy,0,-8.77972,-3.63,-4.81,-3.722673420230569
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c2C)c1,C20243760_decoy,GCR,Decoy,0,-12.4268,-6.38,-4.37,-7.388458267530004
Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl,C58853757_decoy,GCR,Decoy,0,-9.65478,-7.3,-4.9,-7.325770303891977
COc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1O,C59221224_decoy,GCR,Decoy,0,-6.00441,-4.39,-3.84,-3.178082321689295
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl,C59240820_decoy,GCR,Decoy,0,-10.4932,-2.55,-5.49,-4.104301813618286
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl,C59240822_decoy,GCR,Decoy,0,-9.45138,-3.83,-3.29,-4.298632697106897
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)N1c2ccccc2Sc2ccccc21,C59244679_decoy,GCR,Decoy,0,-5.84825,-3.56,-3.77,-2.795017440046085
Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cc(Cl)ccc1Cl,C59304276_decoy,GCR,Decoy,0,-11.0962,-5.5,-0.95,-9.314339368745166
Oc1ccccc1/C=N/c1ccc2nc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)sc2c1,C59488344_decoy,GCR,Decoy,0,-12.4779,-6.32,-3.93,-7.357962971588731
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1,C59566680_decoy,GCR,Decoy,0,-12.1544,-5.54,-2.13,-5.9706633531838325
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1,C59566716_decoy,GCR,Decoy,0,-12.7568,-5.38,-2.28,-6.202356329065261
Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1,C59566932_decoy,GCR,Decoy,0,-8.93077,4.71,-2.65,-1.2714312421498468
CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3cccc(Cl)c3Cl)c2C(=O)Nc2ccccc2)C1,C59720388_decoy,GCR,Decoy,0,-9.34847,-2.48,-2.96,-4.070528334228861
O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Br)cc1)c1ccc(Cl)s1,C03328250_decoy,GCR,Decoy,0,-12.0115,-4.39,-3.15,-5.413234607482299
O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(I)cc1)c1cccs1,C03169049_decoy,GCR,Decoy,0,-11.8845,-4.65,-2.97,-5.731191179953706
O=C(N/N=C/c1cc(Cl)ccc1O)c1nn(Cc2ccc(Br)cc2)cc1Br,C01089357_decoy,GCR,Decoy,0,-11.7519,-4.11,-3.57,-5.054080946517465
CCOC(=O)NC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCCCC2,C09298508_decoy,GCR,Decoy,0,-7.36684,-2.83,-3.83,-3.2142414779225734
CCCn1/c(=N/C(=O)c2ccccc2I)sc2cc(S(N)(=O)=O)ccc21,C09581735_decoy,GCR,Decoy,0,-11.7165,-3.14,-0.87,-5.024278355573908
CNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2,C01454081_decoy,GCR,Decoy,0,-12.7375,-4.07,-1.73,-5.403300827773667
CCOc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1,C02573757_decoy,GCR,Decoy,0,-7.89129,-3.63,-3.97,-3.5525563088703795
Cc1nn(-c2ccc(Cl)cc2)c(O)c1[C@H](c1ccccc1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O,C13914705_decoy,GCR,Decoy,0,-8.26272,-4.3,-5.1,-2.7049202622020414
Cc1ccc(-c2cc(C(F)F)nc3sc4c(c23)N[C@@H](c2c(Br)cnn2C)NC4=O)cc1,C13959356_decoy,GCR,Decoy,0,-6.35707,19.68,-2.24,3.3218314066838257
CCSc1nnc2c(n1)O[C@@H](c1cc(O)ccc1Br)Nc1ccc(Br)cc1-2,C02087034_decoy,GCR,Decoy,0,-7.87084,-1.76,-3.09,-2.6241183704598146
O=C(c1cc(C(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2Cl)c1)c1cc(Cl)ccc1O,C03251782_decoy,GCR,Decoy,0,-6.9999,-5.13,-2.77,-3.639967358138543
Nc1nnc2nc(CC(=O)c3ccc(Cl)c(Cl)c3)c(=CC(=O)c3ccc(Cl)c(Cl)c3)n12,C08655770_decoy,GCR,Decoy,0,-11.9822,-4.38,-3.01,-5.186672587618078
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)c(C)c1,C20704248_decoy,GCR,Decoy,0,-11.4704,-5.0,-2.06,-5.530126759570169
C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O,C21705934_decoy,GCR,Decoy,0,-11.0905,-5.12,-1.8,-5.298024539100352
Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)C(C)(C)N2,C22848077_decoy,GCR,Decoy,0,-12.5002,-3.39,-3.97,-5.05821397257886
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1,C24658959_decoy,GCR,Decoy,0,-6.97137,-2.99,-2.92,-3.027491615972274
O=C(Nc1cccs1)N1CCC(Nc2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1,C24903705_decoy,GCR,Decoy,0,-11.0692,9.21,-3.41,-0.7086610318987884
O=C1CN(c2ccc(NC(=O)c3c4c(nc5ccccc35)/C(=C/c3cccs3)CCC4)cn2)CCN1,C27265196_decoy,GCR,Decoy,0,-7.45309,-3.25,-4.35,-3.4157356911030945
COc1ccc([C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1,C09861167_decoy,GCR,Decoy,0,-7.32805,-1.65,-1.26,-2.918624169280989
O=C(N/C(=N/c1ccccc1)C(Cl)(Cl)Cl)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1,C28628107_decoy,GCR,Decoy,0,-8.12424,-3.19,-2.94,-3.986437719231152
O=C(NNC(=O)c1cccc2ccccc12)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,C33809161_decoy,GCR,Decoy,0,-7.98304,-4.59,-2.5,-4.309023613261273
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1,C34900573_decoy,GCR,Decoy,0,-6.9223,-4.44,-3.56,-4.095047107214064
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1,C34900574_decoy,GCR,Decoy,0,-5.81476,-4.59,-3.83,-3.4882759572992965
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)Nc1cccc(Br)c1,C35268626_decoy,GCR,Decoy,0,-8.56034,-1.01,-2.12,-3.0418135936319355
O=C(Nc1nnc(-c2cccc(Br)c2)s1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1,C35268656_decoy,GCR,Decoy,0,-11.5934,-3.68,-2.64,-5.30439512426934
Cc1ccc(C(=O)N[C@H](C(=O)N2CCCC[C@@H]2C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1,C36213697_decoy,GCR,Decoy,0,-7.64395,-4.02,-2.8,-3.9814856265803855
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCC[C@@H]2C)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1,C36213700_decoy,GCR,Decoy,0,-7.70815,-3.95,-3.65,-4.023594318687713
C#CCn1/c(=N/C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc2cc(S(N)(=O)=O)ccc21,C38873971_decoy,GCR,Decoy,0,-11.0138,33.55,-1.94,11.8276892757929
Cc1c(O)c2c(n1S(=O)(=O)c1ccccc1)-c1nc3ccccc3c(-c3ccccc3O)c1C(=O)CC2,C39456561_decoy,GCR,Decoy,0,-6.52673,-1.58,-2.02,-2.1817635780557736
O=C(N/N=C/c1cc(Br)cc(Br)c1O)[C@H]1C=C(c2ccc(Cl)cc2)N=N1,C39584710_decoy,GCR,Decoy,0,-11.3402,-8.18,-2.36,-7.52660383084828
COc1ccc(C(=O)NNC(=O)[C@]23CC[C@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1,C33366401_decoy,GCR,Decoy,0,-7.83138,-4.27,-2.14,-3.8564313421549214
COc1ccc([C@@H]2C(C#N)=C(N)N([C@@H]3N=NC(C)=C3c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)cc1,C39916401_decoy,GCR,Decoy,0,-5.92284,-4.27,-3.27,-3.313216488875464
COc1cc(/C=N/Nc2nc3c(c(=O)n2-c2ccc(C)cc2)C2(CCCCC2)Cc2ccccc2-3)ccc1O,C40036792_decoy,GCR,Decoy,0,-6.5964,-5.26,-4.24,-3.4357201901811907
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2N)C1,C40729671_decoy,GCR,Decoy,0,-6.48949,-4.28,-2.96,-3.47308728746927
Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(Br)cc2)CCC3)c1C,C40811748_decoy,GCR,Decoy,0,-7.56763,-2.65,-2.15,-3.177937519593288
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccccc2Cl)CCC3)c(Br)c1,C40812754_decoy,GCR,Decoy,0,-9.22657,-3.38,-3.48,-4.084851460947933
Cc1cc(Cl)ccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2,C40813691_decoy,GCR,Decoy,0,-11.78,-3.05,-3.94,-4.480095539835862
Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1/C(=N/NC(=O)c1cccs1)CCC2,C40823663_decoy,GCR,Decoy,0,-11.3078,-2.75,-2.49,-7.081647203871239
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@](C(=O)[O-])(c2ccccc2)[NH2+][C@H]3c2ccc(Cl)s2)cc1Cl,C43219069_decoy,GCR,Decoy,0,-5.9846,-4.56,-4.09,-3.36403850050994
O=C(Nc1nc(-c2cc(Cl)ccc2Cl)c(-n2cncn2)s1)Nc1ccc(Cl)cc1Cl,C45192636_decoy,GCR,Decoy,0,-11.5096,-3.57,-4.99,-4.602645349740791
N#Cc1c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)sc2c1CCCC2,C02307389_decoy,GCR,Decoy,0,-8.85866,-4.72,-5.22,-4.289305300107608
O=C(Nc1ccc(Cl)cc1Cl)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2,C03011235_decoy,GCR,Decoy,0,-10.7412,-6.84,-0.99,-8.783284798476675
CCCSc1nnc2c(n1)O[C@H](c1cc(Br)c(O)c(Br)c1)Nc1ccccc1-2,C02912680_decoy,GCR,Decoy,0,-8.55741,-3.23,-4.47,-3.191841397766596
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1,C58845939_decoy,GCR,Decoy,0,-9.55379,-7.38,-1.94,-9.118570952895498
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2,C58846434_decoy,GCR,Decoy,0,-9.86739,-3.57,-4.44,-4.50754319361277
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1,C58846975_decoy,GCR,Decoy,0,-10.7509,-3.86,-5.05,-5.833358476626886
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl,C58913098_decoy,GCR,Decoy,0,-12.0502,-10.42,-0.88,-14.505661819928331
CC(C)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(Br)c1,C12580182_decoy,GCR,Decoy,0,-10.3528,-5.93,-2.77,-7.122922280449119
O=C(Nc1cccc(Cl)c1Cl)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2,C03011145_decoy2,GCR,Decoy,0,-10.4555,-2.29,,-3.889160979508005
CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)c1C#N,C03011518_decoy,GCR,Decoy,0,-11.2014,-3.86,-3.3,-4.770429429474024
C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@]2(C)Cc3sc(NC(=O)CC(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840745_decoy,GCR,Decoy,0,-12.1736,-3.76,-4.31,-5.044254307539704
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(C(=O)Oc2cc(Cl)ccc2Cl)c1,C03409300_decoy,GCR,Decoy,0,-10.5288,-4.36,-4.03,-4.873346843257411
N#Cc1c(NC(=O)c2nn3c(c2Br)N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCCC2,C00646956_decoy,GCR,Decoy,0,-10.7231,-4.32,-6.05,-5.092330055916203
Cc1c(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)oc2ccc(Cl)cc12,C01051702_decoy,GCR,Decoy,0,-7.40879,-2.5,-4.78,-3.1374256082973586
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C3/C(=O)Nc4ccccc43)c2=O)=N1,C01134277_decoy,GCR,Decoy,0,-11.7977,8.45,-2.62,-1.8231936906299948
Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C(=O)N[C@@H]3CCS(=O)(=O)C3)CCCC4)sc2c1,C08433347_decoy,GCR,Decoy,0,-9.41695,-3.61,-6.51,-4.251627368878162
Nn1c(SCc2cc3c(cc2Br)OCCO3)nnc1-c1ccccc1Br,C09092191_decoy,GCR,Decoy,0,-11.4609,-8.46,-2.19,-8.447781011918789
CSc1nnc2c(n1)O[C@H](c1cc(O)ccc1Br)Nc1ccc(Br)cc1-2,C09601801_decoy,GCR,Decoy,0,-7.2753,-4.12,-3.6,-3.1396339460939124
CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SCC)nc3O2)cc(Cl)c1O,C02087089_decoy,GCR,Decoy,0,-7.67096,-4.04,-4.23,-3.5249559896535594
Nn1c(SCc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)nnc1-c1cccnc1,C09884265_decoy,GCR,Decoy,0,-9.52799,-6.85,-3.74,-6.703729588475203
O=C(COc1ccc(Br)cc1Br)NNC(=O)c1cc(Cl)cc(Cl)c1,C10384454_decoy,GCR,Decoy,0,-10.4866,-6.0,-1.85,-8.05050716186981
CNC(=O)NC(=O)[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccc1,C13095539_decoy,GCR,Decoy,0,-11.0754,-8.64,-4.88,-11.657804635241549
Nc1cccc2c1C(=O)N(CC(=O)N1N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]1c1cccs1)C2=O,C12547053_decoy,GCR,Decoy,0,-10.4883,-4.54,-3.54,-4.74620197984349
Cn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc21,C01477411_decoy,GCR,Decoy,0,-10.3836,-6.28,-2.03,-7.500222990667432
O=C(C[C@H]1S/C(=N\c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O)c1ccc(Br)cc1,C15054982_decoy,GCR,Decoy,0,-11.8366,-2.66,-3.67,-4.512920637106326
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(I)ccc1Cl,C01179752_decoy,GCR,Decoy,0,-10.5565,-4.03,-2.56,-4.793644024494345
O=C1N/C(=C\c2c(-c3ccccc3)nn(-c3ccccc3Cl)c2O)C(=O)N1Cc1cccc(F)c1F,C16534196_decoy,GCR,Decoy,0,-11.4864,-5.09,-3.5,-4.981616611911277
Nn1c(SCc2nc(-c3cccc(Br)c3)no2)nnc1-c1ccc(Cl)cc1Cl,C16617931_decoy,GCR,Decoy,0,-12.9654,-9.31,-4.32,-8.91571857314242
CC1=NN(c2cc(C)c(C)cc2Br)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1,C27570748_decoy,GCR,Decoy,0,-12.0848,-6.3,-2.75,-10.62780508513998
O=C(CSc1nc2c(sc(=S)n2-c2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccc(F)cc1F,C32948373_decoy,GCR,Decoy,0,-7.18722,-9.41,-4.01,-5.673357964917497
CC1=C(C(=O)N(C)C)[C@@H](c2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)N2CCCSC2=N1,C33572776_decoy,GCR,Decoy,0,-7.4837,-2.78,-3.03,-3.6372860344069866
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1,C34899750_decoy,GCR,Decoy,0,-6.14967,-3.15,-3.53,-3.1377730908587727
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1)c1ccc(F)cc1,C34900307_decoy,GCR,Decoy,0,-7.72683,-4.85,-3.8,-4.654486093847726
C[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C34988615_decoy,GCR,Decoy,0,-7.62847,-2.68,-5.14,-3.097383490235158
O=C(Nc1nnc(-c2cccc(Cl)c2)s1)[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1,C35725244_decoy,GCR,Decoy,0,-11.4955,-4.37,-2.51,-5.345941384893912
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1,C35955608_decoy,GCR,Decoy,0,-6.42035,-3.54,-3.19,-3.3255854744755458
O=C(NNC1=CC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1ccccc1Cl,C18167732_decoy,GCR,Decoy,0,-9.70324,-3.82,-3.5,-4.381063109603402
O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(S[C@H]2N=C3C=CC=C[C@H]3N2)o1,C38567154_decoy,GCR,Decoy,0,-12.3637,-4.77,-1.4,-5.141442026311024
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NNC(=O)COc1ccc(Cl)cc1Cl)c1nc3ccccc3nc12,C35549181_decoy,GCR,Decoy,0,-6.4924,-4.15,-1.37,-3.513771438347268
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OCC(N)=O)cc1)N(c1ccc(C)c(Cl)c1)C3=O,C39878585_decoy,GCR,Decoy,0,-6.12295,-4.59,-3.37,-3.3612809614775965
Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(OCC(N)=O)cc1)N(c1ccc(C)c(Cl)c1)C3=O,C39878586_decoy,GCR,Decoy,0,-6.66696,-3.29,-2.79,-3.2287695056509342
CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC[C@@H](C)C4)c(C)c2c1,C40038072_decoy,GCR,Decoy,0,-7.12767,-3.32,-4.71,-3.2022379769475178
CCc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC[C@H](C)C4)c(C)c2c1,C40038073_decoy,GCR,Decoy,0,-7.07311,-3.21,-4.31,-3.1735807380683108
Cc1cc(C)c2oc(C(=O)Nc3sc4c(c3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC[C@@H](C)C4)c(C)c2c1,C40038175_decoy,GCR,Decoy,0,-7.92298,-7.01,-4.97,-4.716497472339172
Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1cncc(Br)c1)CCC2,C40822977_decoy,GCR,Decoy,0,-10.7992,-4.2,-2.56,-4.626301015002481
Cc1c(C(=O)Nc2ccccc2C(F)(F)F)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2,C40825793_decoy,GCR,Decoy,0,-11.6987,-4.36,-4.46,-5.922020708627808
Cc1c(C(=O)Nc2ccccc2Br)oc2c1/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2,C40825878_decoy,GCR,Decoy,0,-12.43,27.59,-2.85,6.495061195049914
O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[NH+]12,C43726410_decoy,GCR,Decoy,0,-9.03549,-4.78,-2.52,-4.265880371469916
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]12,C16037776_decoy,GCR,Decoy,0,-11.0251,-1.47,-3.29,-3.732653309697709
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cnn4c3N[C@@H](c3ccco3)C[C@@H]4C(F)(F)F)c2C#N)C1,C09489976_decoy,GCR,Decoy,0,-12.2039,0.35,-5.52,-4.718423255877528
O=C(Nc1ccc(Br)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2,C01326683_decoy,GCR,Decoy,0,-9.42355,-6.74,-0.95,-8.225528624164824
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2,C58847961_decoy,GCR,Decoy,0,-10.7712,-4.88,-3.52,-5.137946630898005
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2,C58848074_decoy,GCR,Decoy,0,-11.6096,-4.49,-3.09,-5.302695924602268
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl,C58913135_decoy,GCR,Decoy,0,-11.7075,-10.09,-4.09,-13.514686903842708
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2,C58918733_decoy,GCR,Decoy,0,-13.8909,-6.5,-3.83,-7.513970255043225
O=C(Nc1ccncc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccc(Br)c1,C59168040_decoy,GCR,Decoy,0,-7.64242,-3.68,-4.15,-3.942311332737483
Cc1cc(Br)c(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Br)c1,C59434888_decoy,GCR,Decoy,0,-9.08626,-7.85,-1.58,-8.144272923846989
N#CC1=C(N)OC2=NN=C(c3ccccc3)[C@H]2[C@]12C(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc12,C09282112_decoy,GCR,Decoy,0,-11.8472,-3.69,-1.61,-4.642229050193352
N#CC1=C(N)OC2=NN=C(c3ccc(Cl)cc3Cl)[C@@H]2[C@H]1c1cc2c(cc1Br)OCO2,C00718456_decoy,GCR,Decoy,0,-10.7977,-3.43,-1.89,-4.055397656394963
Cc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)Nc3ccccc3S2)s1,C20899152_decoy,GCR,Decoy,0,-10.117,-3.63,-5.33,-3.8596133717979706
O=C1C(=NNc2ccc(Br)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1,C01749563_decoy,GCR,Decoy,0,-6.03917,-3.31,-1.77,-2.7220332195913626
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCc2ccccc21,C00909907_decoy,GCR,Decoy,0,-6.47283,-5.79,-2.87,-3.6479689454595534
O=C1C(=CNc2cccnc2Cl)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1,C00984651_decoy,GCR,Decoy,0,-9.93538,-5.03,-4.84,-4.698611057244801
Cc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCC(C)CC4)c(=O)c3c2C)c(C)c1,C00936975_decoy,GCR,Decoy,0,-10.4716,-4.32,-0.99,-5.21404404179726
O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2oc3ccccc3c21)Nc1ccccc1F,C09116493_decoy,GCR,Decoy,0,-6.16047,-3.83,-2.83,-2.9869804125310457
CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1,C09231882_decoy,GCR,Decoy,0,-9.26534,-9.36,-2.78,-7.958017515527701
Cc1cc(C)cc(NC(=O)CN2C(=O)N(c3cc(C)cc(C)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1,C09269415_decoy,GCR,Decoy,0,-9.47975,-5.49,-3.65,-4.9261133076504935
Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCO5)C3=O)cs2)cc1,C09782058_decoy,GCR,Decoy,0,-9.70178,-4.65,-3.12,-4.572723628029526
CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3nc4c(C)cc(C)cc4s3)C2)CC1,C09848325_decoy,GCR,Decoy,0,-9.97334,-3.08,-4.91,-4.033291006463579
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl,C09892079_decoy,GCR,Decoy,0,-9.10379,-3.95,-2.82,-4.373629062573153
Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21,C09959857_decoy,GCR,Decoy,0,-6.37855,-5.12,-3.39,-3.5489382290343845
CCn1c(S[C@@H](C)C(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C10440212_decoy,GCR,Decoy,0,-10.2697,-4.14,-4.36,-5.040702897939048
Cc1c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3,C11062393_decoy,GCR,Decoy,0,-11.45,-4.41,-3.07,-5.484592256913548
O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc(F)c(Cl)c1,C13964164_decoy,GCR,Decoy,0,-9.00007,-8.53,-4.52,-9.92405895789753
CN(C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2,C14472862_decoy,GCR,Decoy,0,-10.5618,-3.66,-1.75,-4.608430975351437
CN(C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2,C14472864_decoy,GCR,Decoy,0,-10.9832,-7.54,-2.02,-8.07559398944979
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cn1,C15302144_decoy,GCR,Decoy,0,-9.65833,-5.07,-1.17,-5.360414048223097
O=C(N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCO2,C15778709_decoy,GCR,Decoy,0,-8.98965,-3.77,-1.9,-4.129206752276302
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1,C16013239_decoy,GCR,Decoy,0,-9.28439,-4.87,-1.85,-4.952222959213192
CCn1c(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1-c1ccccc1,C16827797_decoy,GCR,Decoy,0,-2.92289,-3.4,-1.9,-1.8905722188530825
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C\c4cn(C)c5ccccc45)c(=O)c23)C1,C20449334_decoy,GCR,Decoy,0,-8.97206,-2.88,-5.07,-3.623762887543515
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccn(Cc2ccccc2F)n1,C20495197_decoy,GCR,Decoy,0,-9.86058,-7.63,-2.52,-8.030722626421996
O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1,C20575223_decoy,GCR,Decoy,0,-11.314,-3.18,-2.48,-4.699660417365401
Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3-c3nc(-c4ccccc4)no3)CC2=O)cc1,C20899940_decoy,GCR,Decoy,0,-7.21448,-3.76,-4.48,-3.4937778545972096
Cc1ccc(-n2ccn3c(CCC(=O)Nc4ccc(F)c(Cl)c4)nnc3c2=O)cc1C,C21540414_decoy,GCR,Decoy,0,-10.8595,-4.47,-2.83,-5.35465516607596
Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccccc2C)c(=O)c2oc3ccccc3c21,C22413162_decoy,GCR,Decoy,0,-5.923,-5.1,-3.62,-3.292472418954928
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1cccc2nsnc12,C22866419_decoy,GCR,Decoy,0,-9.96349,-3.64,-4.39,-4.457743759670841
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)Cc1csc(-c2ccco2)n1,C27644283_decoy,GCR,Decoy,0,-11.2561,-4.29,-0.43,-5.293924702695551
Cc1cccc(N2C(SCC(=O)N3CCOCC3)=NN/C2=C2/C=Nc3ccccc32)c1,C03248911_decoy,GCR,Decoy,0,-10.6931,-5.09,-3.4,-5.315400273397207
Cc1nc(C#N)c(N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)o1,C33959109_decoy,GCR,Decoy,0,-6.857,-3.14,-2.41,-2.793235204687553
O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)Nc1ccc2c(c1)OCO2,C35313213_decoy,GCR,Decoy,0,-11.5765,-9.1,-0.57,-11.923259148712436
Cc1cc(C)n2c(SCc3nc4scc(-c5ccc(F)cc5)c4c(=O)[nH]3)nnc2n1,C24073446_decoy,GCR,Decoy,0,-10.2654,-10.37,-1.65,-9.688859213682749
C[C@@H]1CCc2c(sc3nc([C@H](C)Sc4nnnn4Cc4ccccc4)[nH]c(=O)c23)C1,C21739563_decoy,GCR,Decoy,0,-11.6888,-4.42,-5.48,-5.254399463762126
Cc1cc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)ccc1Br,C36391062_decoy,GCR,Decoy,0,-8.24068,-4.65,-2.35,-4.483284477741606
Cc1cccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1C,C00947145_decoy,GCR,Decoy,0,-9.70267,-4.02,-2.84,-4.215414100329639
Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2,C08670412_decoy,GCR,Decoy,0,-11.9132,-9.7,-1.12,-12.661906697254828
CC(C)CNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3,C20029617_decoy,GCR,Decoy,0,-7.43571,-5.76,-2.52,-3.896174308365677
O=C(CSc1nnc2ccc(-c3cccnc3)nn12)Nc1cc(Cl)ccc1Cl,C38770395_decoy,GCR,Decoy,0,-9.95352,-8.3,-1.68,-9.329203469623238
O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc(N2CCOCC2)cc1,C39210217_decoy,GCR,Decoy,0,-10.4699,-5.05,-1.59,-5.516846391153629
C[C@H]1CCO[P@](=O)([C@H](Nc2cc(Cl)cc(Cl)c2)c2ccc([N+](=O)[O-])cc2)O1,C39834321_decoy,GCR,Decoy,0,-9.1508,-3.31,-1.62,-4.122398346076426
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c(N3CCCCC3)nc12,C39994027_decoy,GCR,Decoy,0,-7.57541,-2.65,-2.42,-3.312301656074489
COC(=O)c1c(NC(=O)CN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)sc2c1CC[C@H](C)C2,C54645347_decoy,GCR,Decoy,0,-10.946,-4.16,-4.37,-5.1070507092593775
Cc1noc(Cl)c1CC(=O)/N=c1\[nH]c2cc(C(F)(F)F)ccc2n1Cc1ccco1,C60349352_decoy,GCR,Decoy,0,-9.4592,-1.96,-4.26,-3.6637534746226703
Cc1ccc(N2CN(CC(=O)N[C@H]3CCc4ccccc43)S(=O)(=O)c3cccnc32)cc1,C49411494_decoy,GCR,Decoy,0,-9.15213,-4.91,-4.19,-4.55034233635999
Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nn2)n1,C62164483_decoy,GCR,Decoy,0,-9.6518,-4.46,-3.73,-4.207233048601365
Cc1c(/N=C2\N=C(NC(=O)c3cccs3)c3ccccc32)c(=O)n(-c2ccccc2)n1C,C18211802_decoy,GCR,Decoy,0,-6.32499,-3.77,-2.89,-3.1892895434239725
CC(C)C(=O)N1CCN(c2nn3c(NC(C)(C)C)c(-c4cccc(F)c4)nc3s2)CC1,C64450837_decoy,GCR,Decoy,0,-10.9576,-4.94,-4.2,-6.517390263750302
Cc1ccc(NS(=O)(=O)c2c(C)c(C)cc3c(C)c(C(=O)N4CCOCC4)oc23)cc1,C65010869_decoy,GCR,Decoy,0,-9.27115,-5.27,-1.3,-4.714178894610555
Cc1ccc(Sc2nccn3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)nc23)c(C)c1,C65151019_decoy,GCR,Decoy,0,-9.08923,-8.1,-3.92,-7.529428315249216
CC[C@H](C)NC(=O)N1CCCN(C2=NS(=O)(=O)C(c3ccc(C)c(C)c3)=C2C)CC1,C65271950_decoy,GCR,Decoy,0,-8.33977,-9.34,-2.74,-10.755877072058174
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C)cc2)nc1C,C00702928_decoy,GCR,Decoy,0,-10.9836,-3.65,-2.93,-4.481963001576375
N#Cc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1,C03225553_decoy,GCR,Decoy,0,-11.0266,-9.27,-4.09,-7.940513430835644
CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CN1C(=O)NC2(CCCCCC2)C1=O,C08751790_decoy,GCR,Decoy,0,-10.1703,-4.1,-2.84,-4.485139185949468
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccccc3F)nc12,C03644244_decoy,GCR,Decoy,0,-9.12857,-3.57,-3.59,-4.447725958684253
C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC,C09311098_decoy,GCR,Decoy,0,-11.1038,-2.0,-3.21,-4.230080247867382
CCc1ccccc1NC(=O)CN(C)C(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3,C09588458_decoy,GCR,Decoy,0,-8.32916,-3.36,-4.68,-4.094417910439809
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c(C)n1Cc1ccccc1,C09748412_decoy,GCR,Decoy,0,-7.16632,-4.23,-3.3,-3.666651657799877
Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1,C09824153_decoy,GCR,Decoy,0,-9.65622,-7.43,-4.1,-6.645070849596392
Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1,C10042890_decoy,GCR,Decoy,0,-10.2045,-5.53,-3.26,-5.132713447292048
Cc1cc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)on1,C11009438_decoy,GCR,Decoy,0,-9.08016,-3.16,-2.56,-4.072667694799826
Cc1cccc(-n2c(S[C@H](C)C(=O)Nc3cc(C)no3)nc3cc(Cl)ccc3c2=O)c1,C11172334_decoy,GCR,Decoy,0,-9.58812,-4.59,-3.33,-4.771533109393313
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(Cc2cccs2)n1C1CC1,C13113335_decoy,GCR,Decoy,0,-9.63824,-9.34,-5.03,-8.810809700386988
N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1,C09353171_decoy,GCR,Decoy,0,-11.4875,-2.17,-4.22,-4.208089207922552
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1,C14583243_decoy,GCR,Decoy,0,-6.9273,-2.58,-2.35,-2.96607588592773
O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1,C16723187_decoy,GCR,Decoy,0,-11.2876,8.32,,99.0
O=C1CN(C(=O)COC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c2ccc(C(F)(F)F)cc2N1,C16797326_decoy,GCR,Decoy,0,-9.40801,-3.44,-2.0,-3.892925516203148
CCOc1ccc(N2C(=S)N/C(=N\c3ccc(C(=O)N4CCOCC4)cc3)C23CCCC3)cc1,C16948689_decoy,GCR,Decoy,0,-8.22044,-2.42,-3.28,-3.2461171065289607
COc1ccc2cc(/C=C/C(=O)Nc3c(C(=O)N4CCOCC4)oc4ccccc34)ccc2c1,C18948669_decoy,GCR,Decoy,0,-7.61562,-4.46,-3.85,-3.9272721754915607
O=C(Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1cc(-c2ccccc2)nc2ccccc12,C20578624_decoy,GCR,Decoy,0,-13.1676,-4.68,-4.44,-5.471580899638284
Cc1nnc(Sc2cc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c3ccccc3n2)s1,C03037073_decoy,GCR,Decoy,0,-8.9282,-3.75,-0.86,-4.226410311434716
O=C(CN1C(=O)/C(=C/c2c(F)cccc2Cl)Oc2ccccc21)NCc1ccc2c(c1)OCO2,C03058081_decoy,GCR,Decoy,0,-10.3249,-4.66,-2.13,-5.403371441213588
C#CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1,C20891466_decoy,GCR,Decoy,0,-10.6469,-3.47,-3.82,-4.656943418642884
CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1,C21523711_decoy,GCR,Decoy,0,-10.2288,-2.11,-3.77,-3.973979264255886
CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nn3cnnc3s2)cc1,C22433498_decoy,GCR,Decoy,0,-11.4742,-10.42,-1.08,-19.219304379022244
Cc1c(O)ccc2c(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cc(=O)oc12,C23523770_decoy,GCR,Decoy,0,-10.9803,-5.79,-3.21,-5.991037090683261
COC(=O)c1ccccc1[C@H]1NC(=S)N(c2cccc(C)c2)C(C)=C1C(=O)N1CCOCC1,C24273923_decoy,GCR,Decoy,0,-10.6805,-3.15,-3.67,-4.75921856184371
Cc1cc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)ccc1-n1cnnn1,C29104834_decoy,GCR,Decoy,0,-10.7252,-8.48,-1.72,-7.616623288424361
O=C(NCCN1CCOCC1)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2,C29568630_decoy,GCR,Decoy,0,-7.60943,-6.74,-3.92,-5.236386334584515
O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1,C32102503_decoy,GCR,Decoy,0,-9.15903,-5.21,-5.71,-4.460259451949039
COc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1OC,C33331656_decoy,GCR,Decoy,0,-7.82624,-3.71,,99.0
Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)[C@@H]5CCCO5)CC4)cc3)sc2c1,C16275458_decoy,GCR,Decoy,0,-12.2332,-3.95,-3.0,-5.057411565282671
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CCC([NH+](C)C)CC3)N2[C@@H]1c1ccccc1,C35970150_decoy,GCR,Decoy,0,-11.5363,7.29,-3.84,-1.516357873719879
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CC[NH+](C)CC3)N2[C@H]1c1ccc(Cl)cc1,C36050736_decoy,GCR,Decoy,0,-5.80685,-2.92,-2.84,-2.979808978874533
O=C(c1ccc2c(c1)OCO2)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,C03626031_decoy,GCR,Decoy,0,-10.291,-3.06,-4.5,-4.908693113172012
O=C(CSC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1)Nc1nnc(-c2ccccc2)s1,C39152622_decoy,GCR,Decoy,0,-10.1989,-5.61,-0.93,-5.234860341177842
COc1ccc(C2=C/C(=C3\C=CC=CC3=O)NC(c3ccc4c(c3)N(CCC#N)C(=O)CO4)=C2)cc1,C39930180_decoy,GCR,Decoy,0,-6.0073,-3.8,-1.84,-2.768781224464992
Cc1ccc2nc(Oc3ccc(F)cc3)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(=O)n2c1,C39998872_decoy,GCR,Decoy,0,-8.50412,-4.31,-3.98,-4.250500051619806
Cc1ccc(NC(=O)CCn2c(=O)c3nnc(C(C)C)n3c3ccccc32)c(Br)c1,C40842417_decoy,GCR,Decoy,0,-9.10487,-10.56,-2.67,-10.368352903971456
Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2OCc2cc(=O)n3c(C)csc3n2)cc1,C41089507_decoy,GCR,Decoy,0,-10.6924,-4.52,-2.06,-5.250587441764954
O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1,C15036323_decoy,GCR,Decoy,0,-10.569,-3.5,-0.98,-4.415056991507529
C[C@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)n1nc(-c2ccc(F)cc2)ccc1=O,C49025893_decoy,GCR,Decoy,0,-9.70038,-8.31,-1.86,-7.476563942745376
O=C(CSc1nnc(-c2cccc(Br)c2)o1)Nc1ccc2oc(=O)ccc2c1,C33541037_decoy,GCR,Decoy,0,-10.0669,-7.52,-1.13,-6.8555643961334445
Cc1occc1-c1nnc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n1-c1ccccc1,C22619917_decoy,GCR,Decoy,0,-11.5239,-3.5,-0.6,-4.774253542016403
CNS(=O)(=O)c1ccc(-c2ccc(/C=C(\Cl)C3=NC(=O)C4=C5CCC[C@H]5SC4=N3)o2)cc1,C39796064_decoy,GCR,Decoy,0,-12.4509,5.05,-1.33,-3.177790903290284
Cc1cc(C)cc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)c1,C64591250_decoy,GCR,Decoy,0,-10.3822,-4.06,-4.61,-4.965437551494324
Cc1ccccc1N1C(=O)c2cc(-c3ccco3)nn2C[C@]1(C)C(=O)NCc1cccc(F)c1,C64816397_decoy,GCR,Decoy,0,-6.2144,-4.26,-2.8,-3.0624238868107696
CCCNC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21,C64861726_decoy,GCR,Decoy,0,-7.93417,-3.17,-0.62,-3.59479406927508
CSc1cccc(-n2c(=O)c3sc4ncccc4c3n(CC(=O)NC3CCCCC3)c2=O)c1,C64941944_decoy,GCR,Decoy,0,-8.21666,-4.0,-3.4,-3.805688931441912
COc1cc(NC(=O)c2c(C)sc3c(=O)n(C4CCCCC4)cnc23)c(OC)cc1Cl,C65297651_decoy,GCR,Decoy,0,-9.74067,-3.52,-3.13,-4.718459482322293
O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl)Nc1ccc2c(c1)OCO2,C67216489_decoy,GCR,Decoy,0,-10.2265,-3.57,-1.73,-4.441537948294918
Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1O,C00360896_decoy,GCR,Decoy,0,-8.08829,-5.93,-1.72,-6.437199126886601
Fc1cccc2sc(Nc3cccc(Cl)c3)nc12,C04265900_decoy,GCR,Decoy,0,-8.74684,-7.5,-0.39,-6.652928766196772
O=C(NC1C2CC3CC(C2)CC1C3)c1cccc2ccccc12,C01146009_decoy,GCR,Decoy,0,-8.88189,-9.42,-2.97,-9.384766365060544
Clc1nc2c(Cl)c(Cl)c(Cl)c(Cl)c2[nH]1,C02766443_decoy,GCR,Decoy,0,-8.27874,-6.25,-1.02,-2.8472320378077702
c1ccc(C2=Nc3ccccc3N[C@H]2c2ccccc2)cc1,C04823386_decoy,GCR,Decoy,0,-8.47207,-4.56,-2.8,-3.881212016337839
O=C(Nc1ccccc1Cl)c1csc2c1CCCCC2,C05070307_decoy,GCR,Decoy,0,-8.67323,-8.08,,99.0
Oc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1,C01385530_decoy,GCR,Decoy,0,-8.57357,-9.11,-0.73,-11.214900301564368
Cc1cc2nc(/C=C/c3cccc(O)c3)sc2cc1C,C05788809_decoy,GCR,Decoy,0,-9.33408,-4.41,-0.53,-4.148823939396082
O=C(Nc1ccccc1Cl)c1cc2c(s1)CCCCC2,C06341093_decoy,GCR,Decoy,0,-9.50186,-5.46,-0.88,-4.782083843369906
O=C1/C(=C\c2ccccc2F)CCc2c1[nH]c1ccccc21,C06926823_decoy,GCR,Decoy,0,-7.56119,-5.17,-6.42,-3.4425501162012635
Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)s1,C07406816_decoy,GCR,Decoy,0,-8.38465,25.01,-2.12,5.39312614984899
O=C1/C(=C\c2cccc3ccccc23)Cc2c(O)cccc21,C11335850_decoy,GCR,Decoy,0,-9.13995,-4.85,-0.96,-3.6754173333427658
O=C1/C(=C\c2ccc3ccccc3c2)Cc2c(O)cccc21,C11336146_decoy,GCR,Decoy,0,-9.04589,-2.98,-0.84,-3.076578433736995
Oc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1,C16404633_decoy,GCR,Decoy,0,-8.08168,-9.24,-0.65,-10.820781786102517
Cc1sc(-c2ccc(O)cc2)nc1-c1cccc(Cl)c1,C20311528_decoy,GCR,Decoy,0,-9.82104,-9.11,-0.83,-8.027998076051936
CSc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1,C21005467_decoy,GCR,Decoy,0,-7.76277,-2.79,-0.21,-3.12406469552913
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2/C=C/CCCC[C@H]21,C32636286_decoy,GCR,Decoy,0,-7.52139,-7.54,-0.11,-6.539747574999845
Cc1ccc2sc(N[C@H]3CCC[C@H](C)[C@@H]3C)nc2c1,C34651900_decoy,GCR,Decoy,0,-8.51157,-3.96,,99.0
c1ccc2c(c1)oc1ccc(NC3CCSCC3)cc12,C34003648_decoy,GCR,Decoy,0,-9.22205,-3.48,-0.22,-3.432734122627569
C[C@@H]1CCCC[C@@H]1Nc1cc(Cl)cc2cccnc12,C36918450_decoy,GCR,Decoy,0,-8.0913,-7.84,-3.8,-7.40069263977269
Cc1cc(Cl)c(NC2CCSCC2)c2cccnc12,C36922825_decoy,GCR,Decoy,0,-9.86656,-8.0,-0.96,-7.846348383518717
Clc1ncccc1NC1c2ccccc2-c2ccccc21,C36982866_decoy,GCR,Decoy,0,-8.9336,-9.13,-3.15,-9.244697732194522
C[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1Br,C37072089_decoy,GCR,Decoy,0,-8.11203,-7.74,-0.69,-8.419126851276669
C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1Br,C37072091_decoy,GCR,Decoy,0,-8.48146,-7.47,-0.32,-14.148946346323232
CC1CCC(Nc2ccc(Cl)c3ncccc23)CC1,C37101508_decoy,GCR,Decoy,0,-8.11141,-6.97,-1.05,-6.8740567327627415
c1cnc2c(N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cccc2c1,C37195763_decoy,GCR,Decoy,0,-8.58148,-8.75,-0.61,-7.7741255817506065
Clc1cccc2nc(-c3ccc4c(c3)CCN4)sc12,C37205985_decoy,GCR,Decoy,0,-9.71359,-8.79,-0.62,-6.805222908977584
C[C@@H]1[C@H](C)CCC[C@H]1Nc1nc2cc(F)ccc2s1,C37206586_decoy,GCR,Decoy,0,-8.63794,-6.35,-0.44,-6.592133703972646
Fc1cc(F)cc(Nc2nc3cc(F)ccc3s2)c1,C37206739_decoy,GCR,Decoy,0,-7.77498,-7.13,-0.48,-6.54921714969473
Cc1ccc2sc(Nc3c(F)cccc3F)nc2c1,C37206841_decoy,GCR,Decoy,0,-7.31039,-3.85,-2.37,-3.074160652381283
Cc1cccc(N[C@@H]2CCCOc3c(C)cccc32)c1C,C37215719_decoy,GCR,Decoy,0,-7.92673,-8.41,-0.93,-11.287808692396696
C[C@H]1CCC[C@@H](Nc2nc3cc(Cl)ccc3s2)C1,C37256562_decoy,GCR,Decoy,0,-9.57421,-2.49,-1.03,-3.2400026456781275
Cc1ccc2sc(-c3cccc4c3CCCN4)nc2c1,C37600258_decoy,GCR,Decoy,0,-9.11912,-5.41,-4.75,-3.81240355686547
Fc1ccc2sc(-c3cccc4c3CCCN4)nc2c1,C37600282_decoy,GCR,Decoy,0,-8.80227,-9.07,-1.17,-6.312664675178654
Cc1cc(C)c(NC(=O)[C@H]2[C@H]3/C=C\CCCC[C@@H]32)c(C)c1,C04891181_decoy,GCR,Decoy,0,-8.39724,-4.82,-2.7,-4.162287254402559
C[C@H]1CCCC[C@]1(C#N)Nc1ccccc1Br,C37938406_decoy,GCR,Decoy,0,-7.71965,-7.38,-3.1,-7.090405733707567
Cc1ccc(Nc2ncc(Br)cc2C)cc1,C42784029_decoy,GCR,Decoy,0,-7.82614,-6.0,-0.65,-5.10413452970026
Oc1ccc(/C=C/c2ccc3ccccc3n2)cc1Cl,C49371742_decoy,GCR,Decoy,0,-8.1627,-3.13,-0.47,-3.3281652841789744
Oc1ccc(/C=C/c2nc3ccccc3s2)cc1Cl,C49371870_decoy,GCR,Decoy,0,-8.40378,-6.83,-1.24,-5.91964059764592
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1,C00101025_decoy,GCR,Decoy,0,-8.23096,-4.29,-0.68,-3.6043632220190633
C[C@H]1CCC[C@]2(CS/C(=N\c3cccc(Cl)c3F)N2)C1,C53099624_decoy,GCR,Decoy,0,-10.0384,-8.14,-0.42,-7.546028863086196
N#C[C@H]1CCCC[C@@H]1Nc1cccc(Br)c1,C54823992_decoy,GCR,Decoy,0,-7.88571,-3.67,-6.2,-3.178254263427398
N#CC1(Nc2ccccc2Cl)C2CC3CC(C2)CC1C3,C55026472_decoy,GCR,Decoy,0,-8.5193,-2.96,-3.68,-3.3707313407043102
Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1,C00100864_decoy,GCR,Decoy,0,-8.3555,-3.93,-1.43,-3.4380995462883983
[O-]c1c(/C=[NH+]/c2cccc(Cl)c2)sc2ccccc12,C05155534_decoy,GCR,Decoy,0,-8.36363,-3.49,-0.86,-3.3824955406772417
Cc1cc2c(cc1C)N(Cc1cccs1)C(C)(C)CN2,C57924674_decoy,GCR,Decoy,0,-8.57149,-6.18,-0.22,-6.858510446348259
Cc1cc(C)c(NC(=O)[C@H]2[C@H]3/C=C\CCCC[C@H]32)c(C)c1,C04891187_decoy,GCR,Decoy,0,-8.12692,-3.7,-0.93,-3.669933940597273
N#Cc1ccc(Nc2cc(F)cc(F)c2F)cc1Cl,C61851234_decoy,GCR,Decoy,0,-7.05673,-8.0,-0.72,-10.40339068292494
Cl[C@@H](c1ccc2[nH]c3ccccc3c2c1)c1cscn1,C62360270_decoy,GCR,Decoy,0,-8.74636,-8.7,-0.03,-7.423876121879203
Cl[C@H](c1ccc2c(c1)-c1ccccc1C2)c1ccn[nH]1,C62778959_decoy,GCR,Decoy,0,-8.68617,-4.37,-0.28,-3.750562173406651
O[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21,C01392606_decoy,GCR,Decoy,0,-9.10494,8.23,-0.64,-0.2638067080967132
Fc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21,C04110496_decoy,GCR,Decoy,0,-8.13852,-3.35,-5.27,-2.9371514999418804
O[C@H](c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1,C04290115_decoy,GCR,Decoy,0,-8.95671,-6.92,-0.64,-6.16174140811662
Brc1ccc2[nH]c3c(c2c1)CCCCC3,C00032900_decoy,GCR,Decoy,0,-7.72493,-6.54,,99.0
Brc1ccc2[nH]c3c(c2c1)CSc1ccccc1-3,C01754845_decoy,GCR,Decoy,0,-8.73582,-1.32,-0.29,-1.8977684513059
CC(C)c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1,C14462523_decoy,GCR,Decoy,0,-9.22647,-3.82,-0.19,-3.8106385028833656
Clc1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c(Cl)c1,C14477412_decoy,GCR,Decoy,0,-9.65631,-8.22,-4.6,-7.170133601871483
Cc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)c1,C14480050_decoy,GCR,Decoy,0,-9.67904,-5.63,-1.76,-4.061668632394279
Cc1cccc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)c1,C14480051_decoy,GCR,Decoy,0,-9.6823,-3.76,-0.41,-3.4115059369674188
Cc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)c1,C14480052_decoy,GCR,Decoy,0,-9.94804,-9.04,-2.81,-8.651403344046946
c1ccc2c(c1)N[C@@H](c1cccc3ccccc13)S2,C01734735_decoy,GCR,Decoy,0,-8.2704,-7.35,-0.59,-5.804139437105393
CNc1ccc(/C=C2/C=Cc3ccccc32)cc1Cl,C17430944_decoy,GCR,Decoy,0,-8.21174,2.46,-0.41,-1.9127933407367368
C=C1c2ccccc2[C@@]2(C)c3ccccc3[C@]1(C)[C@@]2(C)O,C19899005_decoy,GCR,Decoy,0,-7.31616,-5.71,-0.7,-2.626967430167667
C[C@@H]1CCC[C@H](Nc2ccccc2Br)C1,C19988330_decoy,GCR,Decoy,0,-7.88737,-6.57,-0.53,-5.409743849812019
C#Cc1cccc(N[C@@H](C)c2cccc3ccccc23)c1,C20549102_decoy,GCR,Decoy,0,-8.37207,-8.52,-0.71,-8.670243186410524
Cc1ccc(N[C@H](C)c2ccc3c(c2)CCCC3)cc1,C20555496_decoy,GCR,Decoy,0,-7.81049,-8.1,-1.15,-6.019964298220595
c1ccc2c(c1)CCC[C@@H]2Nc1cccc2ccccc12,C20563689_decoy,GCR,Decoy,0,-8.64422,-6.26,-0.84,-4.532715835624781
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20707850_decoy,GCR,Decoy,0,-9.50099,-3.61,-3.35,-3.1122213658535034
Cc1ccc([C@@H](C)Nc2cccc3c2CCCC3)cc1C,C21008921_decoy,GCR,Decoy,0,-7.82764,-2.42,-0.48,-2.8034337418241053
Cc1ccc(N[C@@H](C)c2ccc(F)c(F)c2)cc1F,C21502520_decoy,GCR,Decoy,0,-7.00911,-7.0,-2.81,-5.900697329304522
C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1,C21519419_decoy,GCR,Decoy,0,-7.15138,-6.34,-0.18,-5.151548837914526
Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCC3)cc1C,C22151964_decoy,GCR,Decoy,0,-7.50223,-2.4,-0.95,-2.924939812678253
C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)s1,C35285858_decoy,GCR,Decoy,0,-7.36249,-6.6,-5.37,-5.797238560064721
Fc1ccccc1C1CC(Nc2ccc(Cl)cc2)C1,C36842247_decoy,GCR,Decoy,0,-7.75799,-7.61,-0.8,-6.302562490282585
C[C@@H](Nc1ccc2ccccc2c1)c1ccc(Cl)s1,C36951972_decoy,GCR,Decoy,0,-8.33312,-7.53,-0.82,-7.069220050271239
C[C@@H](Nc1ccc2ccccc2c1)c1ccccc1F,C36952024_decoy,GCR,Decoy,0,-7.45342,-6.1,-4.82,-4.4652538613967
CSc1ccccc1N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21,C36957238_decoy,GCR,Decoy,0,-8.74386,-7.38,-0.67,-7.643772572309864
Cc1cc(C)c(CNc2ccc3sccc3c2)c(C)c1,C36975810_decoy,GCR,Decoy,0,-8.98361,-6.5,-1.06,-7.153283395356526
C[C@H](Nc1ccc2sccc2c1)c1ccc(F)c(F)c1,C36975966_decoy,GCR,Decoy,0,-8.26722,-6.33,-0.68,-7.080700259567305
C[C@@H](Nc1ccc2sccc2c1)c1ccc(F)c(F)c1,C36975968_decoy,GCR,Decoy,0,-7.15229,-7.01,-0.45,-6.695912747623446
Cc1ccc([C@H](C)Nc2ccc3sccc3c2)s1,C36976116_decoy,GCR,Decoy,0,-8.40485,-5.0,-2.79,-4.369587351148922
C[C@@H](Nc1ccc(F)c(F)c1)c1ccc(F)cc1Cl,C37201723_decoy,GCR,Decoy,0,-7.34058,-7.78,-0.37,-6.177495738536499
C[C@@H](Nc1ccccc1Br)C1CCCCC1,C37203411_decoy,GCR,Decoy,0,-7.30006,-6.25,-3.36,-6.96691457383402
Fc1cc(F)cc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1,C37214223_decoy,GCR,Decoy,0,-7.73374,-8.02,-0.48,-7.1636843496237175
Cc1cc(N[C@H](C)C2(C)CC2)ccc1Br,C37467731_decoy,GCR,Decoy,0,-7.40194,-5.43,-0.4,-6.531085628696556
C[C@@]12CCCC[C@@H]1CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12,C37536165_decoy,GCR,Decoy,0,-8.89244,-2.97,-0.5,-2.417504275228996
CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@@]3(CC[C@@H]12)C4,C13425027_decoy,GCR,Decoy,0,-9.21748,-2.86,-0.96,-2.3258844796704605
CCc1ccc([C@H](O)c2cc(Cl)ccc2Cl)s1,C40242748_decoy,GCR,Decoy,0,-9.66384,-3.4,,99.0
CCc1ccc([C@H](O)c2cc(Cl)ccc2Cl)cc1,C40254839_decoy,GCR,Decoy,0,-8.50152,-7.52,-0.66,-7.530416513001675
Cc1cc(C)cc([C@H](O)c2ccc(Cl)c(Cl)c2)c1,C40260157_decoy,GCR,Decoy,0,-8.67123,-8.33,-0.57,-8.523959071814916
Cc1ccc(C)c([C@@H](O)c2ccc(Br)cc2)c1,C42352020_decoy,GCR,Decoy,0,-8.16288,-7.64,-0.58,-6.261474293367948
O[C@H]1CCCCC[C@H]1Cc1ccc(Br)cc1F,C43658972_decoy,GCR,Decoy,0,-8.33474,-7.66,-0.35,-9.238968611429431
Cc1ccc(SCc2ccc(C#CCO)cc2)c(C)c1,C49622808_decoy,GCR,Decoy,0,-9.18124,-8.84,-2.27,-12.972190387057989
O[C@@H](C1=CCCCCC1)c1ccccc1C(F)(F)F,C50329365_decoy,GCR,Decoy,0,-6.40029,-8.46,-0.57,-8.595546148204626
Cc1ccccc1[C@H](C)Nc1cc(F)c(F)cc1F,C61093060_decoy,GCR,Decoy,0,-6.20502,-7.0,-0.58,-6.259871166909266
C[C@@H](Nc1cc(F)cc(F)c1F)c1ccc(F)c(F)c1,C61099023_decoy,GCR,Decoy,0,-6.90376,-7.98,-0.75,-6.480487605413138
C[C@@H](Nc1cc(F)c(F)c(F)c1)c1c(F)cccc1F,C61116028_decoy,GCR,Decoy,0,-7.31839,-7.4,-0.49,-6.352407787808769
Cc1ccccc1[C@@H](C)Nc1cc(F)c(F)c(F)c1,C61116129_decoy,GCR,Decoy,0,-6.23059,-7.59,-0.34,-8.745622423018332
Cc1cc(N[C@H](C)c2c(F)cccc2F)ccc1F,C61117468_decoy,GCR,Decoy,0,-7.51332,-7.52,-0.64,-6.220592323610147
Clc1ccc(Cl)c(N[C@@H]2CCCSC2)c1,C61570676_decoy,GCR,Decoy,0,-8.61362,-6.31,-0.9,-5.996101085257241
N#C/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1,C04345015_decoy,GCR,Decoy,0,-9.44577,-8.2,-5.21,-8.886758187022783
Cc1ccc2sc(C3=NN(C)[C@@](O)(C(F)(F)F)C3)c(C)c2c1,C00114987_decoy,GCR,Decoy,0,-7.93818,4.88,-0.45,-0.9603683246602316
O=C(Nc1ccc(Br)cc1F)c1cc2ccccc2o1,C04841940_decoy,GCR,Decoy,0,-8.09763,-3.99,-0.86,-4.100766485421287
O=C1CCCC2=C1[C@@H]([C@H]1CC=CCC1)c1c(ccc3ncccc13)N2,C05069044_decoy,GCR,Decoy,0,-9.74573,-4.96,-3.21,-3.897301829393741
O=C1CCCC2=C1[C@H]([C@@H]1CC=CCC1)c1c(ccc3ncccc13)N2,C05069054_decoy,GCR,Decoy,0,-9.11138,-11.45,-1.41,-12.018158016310425
O[C@]12Cc3ccccc3C1=NN(c1ccccc1)[C@@H]2c1ccccc1,C05105114_decoy,GCR,Decoy,0,-8.73567,-4.87,-1.14,-3.899150187131795
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccs3)NC(=O)CN21,C00539690_decoy,GCR,Decoy,0,-9.61365,-2.9,-2.94,-3.5454100645090323
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1sc2ccccc2c1Cl,C06341801_decoy,GCR,Decoy,0,-9.93552,-5.04,-1.42,-5.085115843806231
Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc2cccnc12,C00067250_decoy,GCR,Decoy,0,-9.00673,-7.23,-2.76,-5.991164216726899
N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1,C04482941_decoy,GCR,Decoy,0,-9.92852,-8.25,-3.14,-6.805032323118194
O=C(Nc1ccc2scnc2c1)c1ccc2c(c1)CCCC2,C09472077_decoy,GCR,Decoy,0,-9.002,-2.08,-0.48,-3.4748558677033943
N#Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1,C20303951_decoy,GCR,Decoy,0,-9.39084,-8.8,-0.71,-10.782142144627173
CCc1sc2nc(C)[nH]c(=O)c2c1-c1ccc(Cl)c(C)c1,C20345641_decoy,GCR,Decoy,0,-8.55972,-3.27,-0.96,-3.419630387326884
O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1Cc2cc(Cl)ccc2O1,C24220417_decoy,GCR,Decoy,0,-8.44772,-3.4,-4.44,-3.334942783790833
O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1Cc2cc(Cl)ccc2O1,C24220424_decoy,GCR,Decoy,0,-9.61885,-3.51,-5.34,-3.9747192258952713
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCc2ccccc2C1,C26295975_decoy,GCR,Decoy,0,-8.75045,-4.19,-1.16,-4.272848731808988
Cc1nc(Nc2ccc(Br)cc2)c2cc(C)sc2n1,C28162833_decoy,GCR,Decoy,0,-9.1834,-7.7,-2.94,-6.974712513878201
Cc1nc(Nc2cccc(C)c2C)c2c3c(sc2n1)CCC3,C28166007_decoy,GCR,Decoy,0,-7.82581,-3.42,-1.69,-3.219298686252685
O=c1[nH]c(/C=C\c2ccccc2)nc2sc3c(c12)CCCC3,C32110904_decoy,GCR,Decoy,0,-8.28559,-4.43,-5.53,-3.738564983044403
CCc1sc2nc[nH]c(=O)c2c1-c1ccc(Cl)c(C)c1,C20371150_decoy,GCR,Decoy,0,-8.65514,-4.74,-1.06,-4.208144155219016
O=C(Nc1cc(Cl)ccc1F)c1nc(Cl)ccc1Cl,C35082330_decoy,GCR,Decoy,0,-9.19226,-8.02,-1.57,-7.092632376233289
O=c1[nH]c(CCl)nc2scc(-c3ccc4ccccc4c3)c12,C36275460_decoy,GCR,Decoy,0,-10.4556,-8.92,-0.72,-8.37303555378912
Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2C)cc1,C36619731_decoy,GCR,Decoy,0,-8.32018,-7.81,-1.47,-7.75877552130835
O=c1oc2c3c(c(O)cc2s1)C1c2ccccc2C3c2ccccc21,C36636079_decoy,GCR,Decoy,0,-9.30919,-4.67,-1.07,-2.693968990259929
O=C1CCc2cc(C(=O)c3c(Cl)cccc3Cl)ccc2N1,C36942390_decoy,GCR,Decoy,0,-9.00708,-7.19,-0.39,-6.858319961614972
Clc1cc(Cl)c2c(c1)[C@H](Nc1cccnc1Cl)CCO2,C37283726_decoy,GCR,Decoy,0,-9.04867,-7.94,-0.82,-6.52998685143884
O=C1CCc2cc(C(=O)c3cccc(Cl)c3Cl)ccc2N1,C37359511_decoy,GCR,Decoy,0,-9.25839,-9.18,-0.64,-7.831464607754359
Fc1cc(Br)ccc1Nc1nsnc1Cl,C37372047_decoy,GCR,Decoy,0,-7.95217,-5.67,-2.82,-5.158447391780839
Cc1oc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2,C00034927_decoy,GCR,Decoy,0,-8.45012,-6.32,-1.83,-5.736751472867693
Cc1nc2cc(N[C@@H]3CCc4cc(Br)ccc43)ccc2o1,C40226564_decoy,GCR,Decoy,0,-8.58836,-9.23,-2.23,-10.482266416970647
Cc1nc2cc(N[C@H]3CCc4cc(Br)ccc43)ccc2o1,C40226566_decoy,GCR,Decoy,0,-8.61734,-8.9,0.31,-12.548609915015096
O=C(Nc1ccc(F)cc1Cl)N1CCC[C@@H]1c1cccs1,C43263122_decoy,GCR,Decoy,0,-8.28788,-8.44,-1.12,-7.044085425968641
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)cc1F,C43275277_decoy,GCR,Decoy,0,-9.41697,-3.41,-1.03,-3.9548652716198136
COC1(OC)CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)CCC[C@]32O)C1,C43722565_decoy,GCR,Decoy,0,-9.81182,-3.29,-0.44,-3.756041887468989
CC[C@H]1CCCCN1C(=O)c1cc2ccc(Br)cc2[nH]1,C44774336_decoy,GCR,Decoy,0,-8.84287,-2.05,-0.57,-3.2092237831252173
Cc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCS4)cc1,C46703504_decoy,GCR,Decoy,0,-9.78385,-2.84,-2.08,-3.3054488831956155
C[C@@H]1CCC[C@H](NC(=O)c2cc3cccc(Br)c3o2)C1,C46768815_decoy,GCR,Decoy,0,-8.44324,-2.15,-1.72,-3.0425254319509607
C[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(Cl)s1,C46996133_decoy,GCR,Decoy,0,-10.2302,-7.99,-1.8,-8.276510830412255
C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(F)c1,C48477253_decoy,GCR,Decoy,0,-9.17989,22.54,-0.03,5.614446831194445
C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(Cl)c(F)c1,C48477255_decoy,GCR,Decoy,0,-8.03074,-4.37,-1.05,-3.924604973337169
CCC1CCN(C(=O)Nc2ccc(C)cc2Br)CC1,C48695147_decoy,GCR,Decoy,0,-8.14569,-2.89,-2.08,-3.35377068724576
Clc1ccc2sc(N[C@@H]3CCOc4ccccc43)nc2c1,C51987514_decoy,GCR,Decoy,0,-9.18686,-8.48,-0.69,-7.276407032607677
Cc1cc(Nc2ccc(F)cc2Br)nc(Cl)n1,C52814101_decoy,GCR,Decoy,0,-8.19593,-6.26,-0.6,-5.575540955269732
C[C@@H]1CCC[C@]2(CS/C(=N\c3ccc(C#N)c(Cl)c3)N2)C1,C53099731_decoy,GCR,Decoy,0,-9.76037,-3.51,-0.14,-3.575711342965661
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(Br)cc3)nc2c1,C16348315_decoy,GCR,Decoy,0,-8.96727,-8.53,-1.4,-7.570162188636863
CCc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCSC4)cc1,C55503735_decoy,GCR,Decoy,0,-10.6815,-3.74,-2.32,-4.03897276047574
Oc1ccccc1/C=N/c1ccc(Br)c2cccnc12,C16667215_decoy,GCR,Decoy,0,-9.16654,-2.77,-1.32,-3.2402645350894868
C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)/C=C/c1ccccc1,C59424285_decoy,GCR,Decoy,0,-8.29507,-3.79,-2.02,-3.4621850004507206
Clc1nc(N[C@H]2CCCc3sccc32)c2ccccc2n1,C61370891_decoy,GCR,Decoy,0,-8.83846,-7.59,-0.39,-7.271916725517157
Br[C@H](c1ccc2oc3ccccc3c2c1)c1ccn[nH]1,C62779263_decoy,GCR,Decoy,0,-7.61983,-8.31,-0.27,-6.239567927407068
O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(F)c(F)c1,C01510655_decoy,GCR,Decoy,0,-9.03838,-4.15,-0.93,-3.6536864269896254
O=C1NC(c2ccccc2)=N/C1=C\c1ccc(I)cc1,C04615718_decoy,GCR,Decoy,0,-9.16641,-4.15,-1.11,-3.4566989674722457
O=C(Nc1ccc(Br)cc1F)c1c(F)c(F)c(F)c(F)c1F,C02114759_decoy,GCR,Decoy,0,-7.57691,-4.29,-3.18,-3.631081359014853
N#Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CCCC2,C03118613_decoy,GCR,Decoy,0,-10.8696,-1.76,-2.36,-3.776319636806405
N#Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCCCC2,C03221694_decoy,GCR,Decoy,0,-10.8666,-9.46,-1.15,-13.602035008981003
O=C(Nc1ccc(Br)cc1F)c1cnc(Cl)c(Cl)c1,C06377243_decoy,GCR,Decoy,0,-8.60594,-2.93,-1.87,-3.4097647013364734
O=C(Nc1ccc(F)c(F)c1F)C1=Cc2cc(Br)ccc2OC1,C11649894_decoy,GCR,Decoy,0,-9.67719,-3.25,-1.77,-3.74315671384418
C[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1F,C12775271_decoy,GCR,Decoy,0,-8.81205,-3.74,-0.68,-4.35146367378586
CN(C)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C14464695_decoy,GCR,Decoy,0,-10.9744,-4.06,-3.84,-4.347226797094272
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2,C14477356_decoy,GCR,Decoy,0,-10.6144,-3.13,-3.49,-4.0783019580292805
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2,C14477899_decoy,GCR,Decoy,0,-10.1371,-3.48,-0.72,-4.0789555964665
C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(F)c(F)c1,C14575456_decoy,GCR,Decoy,0,-8.27262,-8.01,-1.57,-7.149246954613612
C[C@H](NC(=O)c1cccc(I)c1)c1ccc(F)c(F)c1,C14575457_decoy,GCR,Decoy,0,-8.39744,-8.13,-3.87,-6.843217341654084
Cc1cc(I)cc2[nH]nc(I)c12,C14984675_decoy,GCR,Decoy,0,-7.58059,-4.93,-1.87,-2.603852032005818
C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC2(Br)Br)CC(C)(C)C1,C17077894_decoy,GCR,Decoy,0,-9.10313,-1.88,-1.59,-2.977459567423321
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2,C20708692_decoy,GCR,Decoy,0,-10.1384,7.35,-2.41,-0.9006666065668991
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C20712889_decoy,GCR,Decoy,0,-10.8248,-3.52,-3.71,-4.520012353032117
CCCCc1nc(I)c(I)[nH]1,C22005977_decoy,GCR,Decoy,0,-8.22806,-4.76,-1.72,-5.40569131236691
CC[C@@H](C)NC(=O)c1cc(Br)ccc1I,C26977835_decoy,GCR,Decoy,0,-8.79222,-6.46,-1.6,-7.494614186958958
C#Cc1cccc(NC(=O)c2ccc(Cl)cc2I)c1,C31717067_decoy,GCR,Decoy,0,-9.13245,-8.01,-1.79,-7.759725917115193
Cc1cc(Br)c(/N=C2\NC[C@H](C)S2)c(Br)c1,C35287001_decoy,GCR,Decoy,0,-9.82154,-7.29,-0.86,-6.945541198123441
O=C1Cc2cc(C(=O)c3ccc(Br)cc3F)c(Cl)cc2N1,C35359226_decoy,GCR,Decoy,0,-8.72448,-8.94,-0.79,-7.483431185589852
Cc1cc(Br)cc(C)c1NC(=O)c1csc(Br)c1,C36867929_decoy,GCR,Decoy,0,-9.43394,-2.64,-5.59,-3.716931823392122
Cc1sc2nc(CCl)[nH]c(=O)c2c1-c1ccc(Br)cc1,C20594285_decoy,GCR,Decoy,0,-9.81774,-2.47,-0.68,-3.781826963686422
Cc1nc([C@@H](C)Nc2ccc(Br)cc2Br)cs1,C36957072_decoy,GCR,Decoy,0,-9.70986,-6.42,-0.79,-7.365462325495909
Cc1nc([C@H](C)Nc2ccc(I)cc2C)c(C)s1,C37057079_decoy,GCR,Decoy,0,-9.05249,-6.29,,99.0
N#Cc1ccc(NCc2cc(Br)cs2)c(Br)c1,C37072399_decoy,GCR,Decoy,0,-9.04989,-6.77,-0.76,-6.797511750643183
Cc1nc([C@@H](C)Nc2ccc(I)cc2Cl)cs1,C37105521_decoy,GCR,Decoy,0,-8.90454,-6.64,-0.15,-9.717140587266377
Cn1ncc2c1CCC[C@H]2Nc1ccc(I)cc1Cl,C37105548_decoy,GCR,Decoy,0,-9.70022,-7.39,-2.86,-7.1956262807633244
Cc1nc([C@@H](C)Nc2cc(Br)ccc2Br)c(C)s1,C37121475_decoy,GCR,Decoy,0,-9.94944,-7.69,-2.26,-11.114743596387685
O=S1(=O)CC[C@@H](Nc2ccc(Br)cc2Cl)c2ccccc21,C37252740_decoy,GCR,Decoy,0,-9.46687,-7.49,-0.87,-9.825263950836328
Oc1ccccc1[C@@H]1CC[C@]2(C[C@H](I)CN2Cl)C1,C39506258_decoy,GCR,Decoy,0,-8.90481,-3.55,-0.67,-3.231857434064643
Oc1ccccc1[C@H]1CC[C@]2(C[C@H](Br)CN2Br)C1,C39506779_decoy,GCR,Decoy,0,-9.22451,-8.27,-0.62,-6.954138305594939
Oc1ccccc1[C@@H]1CC[C@@]2(C[C@H](Br)CN2Br)C1,C39506780_decoy,GCR,Decoy,0,-8.95057,-7.95,0.04,-6.910467763206197
Oc1ccccc1[C@H]1CC[C@@]2(C[C@H](Br)CN2Br)C1,C39506781_decoy,GCR,Decoy,0,-9.48,-3.71,-1.35,-3.524858601842177
CS[C@@H]1CC[C@@]2(C1)[C@H](I)CCCN2c1ccccc1O,C39511375_decoy,GCR,Decoy,0,-10.7032,-3.31,-0.6,-4.085667800753701
C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2Br)C1,C40098105_decoy,GCR,Decoy,0,-8.75461,-1.73,-0.3,-3.2846483407757248
O[C@@H](c1ccc2c(c1)OCCCO2)c1cc(Br)ccc1Cl,C40245042_decoy,GCR,Decoy,0,-9.38891,-8.6,-1.11,-9.90795496953218
Cc1cc(Br)ccc1[C@H](O)c1cc2c(cc1Cl)OCCO2,C40260115_decoy,GCR,Decoy,0,-9.72096,-7.05,-0.68,-6.962160144550538
C[C@H]1Cc2cc([C@H](O)c3cccc(I)c3)ccc2O1,C40261962_decoy,GCR,Decoy,0,-9.15088,-7.92,-2.74,-10.756582700957477
O=C1Cc2cc([C@@H](Cl)c3cccc(I)c3)ccc2N1,C40271711_decoy,GCR,Decoy,0,-8.25354,-7.6,0.47,-6.830175297310625
O=C1Cc2cc([C@@H](Cl)c3ccc(I)cc3)ccc2N1,C40271723_decoy,GCR,Decoy,0,-8.5825,-8.21,-0.1,-7.235539107964943
O=C1Cc2cc([C@@H](Br)c3ccc(Br)s3)ccc2N1,C40284146_decoy,GCR,Decoy,0,-8.64386,-7.35,-0.49,-10.773565549949357
O=C(Nc1ccc(I)cc1Cl)c1ccsc1,C41968707_decoy,GCR,Decoy,0,-8.69045,-7.21,-0.09,-7.706285380472215
C[C@@H](O)COc1c(Br)cc(Br)cc1Br,C44191089_decoy,GCR,Decoy,0,-8.90653,-5.88,-0.87,-9.251799680903334
O=C(Nc1ccc2ccccc2n1)c1ccc(I)cc1,C45560830_decoy,GCR,Decoy,0,-8.00685,23.41,-0.66,6.3920226003689296
C[C@H]1c2ccsc2CCN1C(=O)NCc1cc(Br)cs1,C47041043_decoy,GCR,Decoy,0,-10.3425,-6.7,-0.91,-9.207751140290702
O=C(Nc1ccc(I)cc1Cl)N1C[C@@H]2CC[C@H]1C2,C48770508_decoy,GCR,Decoy,0,-8.31125,-6.79,-1.04,-7.185896733967096
O=C1Cc2cc([C@@H](Br)c3cccc(F)c3F)c(Cl)cc2N1,C54214275_decoy,GCR,Decoy,0,-8.919,-8.84,-0.95,-7.022210415983179
O=C(Nc1cc(F)c(F)cc1F)c1ccccc1I,C61094564_decoy,GCR,Decoy,0,-7.44769,-6.38,-1.19,-6.566967096430332
O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(Br)cc1,C01213593_decoy,GCR,Decoy,0,-10.3463,-3.57,-1.24,-4.517096281261701
CCCCC1=NN(C(=O)c2ccccc2Br)[C@](O)(C(F)(F)F)C1,C04163545_decoy,GCR,Decoy,0,-7.58411,-7.64,-5.16,-8.354465252311218
O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(Br)cc1,C04167238_decoy,GCR,Decoy,0,-10.068,-4.06,-1.19,-4.451304605188401
CC(C)CCC1=NN(C(=O)c2ccccc2Br)[C@@](O)(C(F)(F)F)C1,C04173727_decoy,GCR,Decoy,0,-10.1034,-8.08,-1.06,-8.025848289094368
O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)NC1CCCCC1,C04356331_decoy,GCR,Decoy,0,-10.4551,-4.41,-2.03,-5.170967426621287
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc4ccccc34)c3ccccc32)cc1,C04555153_decoy,GCR,Decoy,0,-8.49404,-6.4,-2.75,-5.333430098402813
CC(=O)c1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1,C01339896_decoy,GCR,Decoy,0,-10.5746,-3.63,-3.84,-4.499837971526514
CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc2c1CCCC2,C02103351_decoy,GCR,Decoy,0,-10.1536,-4.07,-2.31,-5.0717753741930975
C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21,C04784273_decoy,GCR,Decoy,0,-8.49374,-6.22,-2.49,-4.822532929526482
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C)cc3)c3cc(Cl)ccc32)cc1,C04784331_decoy,GCR,Decoy,0,-9.10893,-3.55,-1.71,-4.06045010893679
CCC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1,C00799714_decoy,GCR,Decoy,0,-8.60734,-4.0,-1.86,-4.297706476885534
CCc1cccc(C)c1NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N,C04849154_decoy,GCR,Decoy,0,-9.55462,-8.84,-3.93,-9.18910759733085
C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)N[C@@H](C)c1ccc(F)cc1,C06112762_decoy,GCR,Decoy,0,-10.5514,-8.4,-4.71,-10.610001822636749
Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)c2c3c(sc2n1)CCCC3,C06113796_decoy,GCR,Decoy,0,-9.92492,-8.14,-3.43,-8.70404296491015
C=CCSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1,C06589306_decoy,GCR,Decoy,0,-10.8873,-6.54,-1.61,-7.872222610052214
Cc1ccc(COc2ccc([C@H]3c4sc(=O)[nH]c4SC[C@H]3C=O)cc2)cc1,C08550115_decoy,GCR,Decoy,0,-8.91881,-5.89,-2.64,-5.4846932227684
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(I)cc1,C01052455_decoy,GCR,Decoy,0,-8.85291,-7.16,-1.08,-6.079985411502598
O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H](c1ccccc1)c1cccs1,C10490594_decoy,GCR,Decoy,0,-10.562,-8.24,-3.23,-9.0073637579793
Cc1ccc(CCC(=O)N2CCCc3c(C(=O)NC(C)C)cccc32)cc1Cl,C11116596_decoy,GCR,Decoy,0,-10.7803,-9.97,-3.86,-9.336498859285204
Cn1ccnc1[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccc(Cl)cc1,C10393154_decoy,GCR,Decoy,0,-9.44003,-4.49,-4.92,-4.555587639884964
CC(=O)c1ccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)C2CCC2)O3)s1,C12135833_decoy,GCR,Decoy,0,-10.8955,-9.79,-1.24,-16.005917276780337
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2,C14465013_decoy,GCR,Decoy,0,-11.0762,-3.47,-5.03,-4.931702930365664
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2,C14478677_decoy,GCR,Decoy,0,-10.3499,-2.01,-4.39,-6.45304689464252
O=C(C1=CCCCC1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1,C15079245_decoy,GCR,Decoy,0,-11.11,-4.85,-1.18,-5.89298624225298
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2,C20692116_decoy,GCR,Decoy,0,-10.2768,-2.09,-0.72,-3.990116960236777
Cn1cccc1[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCc2ccccc2C1,C21151512_decoy,GCR,Decoy,0,-9.81998,-4.06,-3.71,-4.473629605707981
CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2Cl)c(C)n1,C24969153_decoy,GCR,Decoy,0,-10.576,-8.19,-0.97,-8.79254693684547
Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1C2CC3CC(C2)CC1C3,C25148349_decoy,GCR,Decoy,0,-10.1035,-6.48,-5.01,-6.838039546603506
O=C(Nc1nc2ccc(F)cc2s1)c1ccc(SCc2cscn2)cc1,C25245597_decoy,GCR,Decoy,0,-11.2858,-4.0,-19.06,-4.882705038118639
CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@@H](C)c1ccccc1C,C32932175_decoy,GCR,Decoy,0,-9.96073,-3.08,-2.2,-4.229923689044305
Cc1ccc(C(=O)N2[C@H](CC(C)C)SC[C@H]2C(=O)Nc2ccc(F)cc2)cc1,C35195753_decoy,GCR,Decoy,0,-9.23986,-2.63,-0.68,-4.047727543650447
O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Br)o1,C05146255_decoy,GCR,Decoy,0,-9.49478,-4.53,-3.17,-4.445593994429651
C[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@H](C)O1,C03177299_decoy,GCR,Decoy,0,-8.6881,-9.07,-2.82,-12.193732457576017
Cc1ccc([C@H](c2c(NC(=O)c3cccs3)sc(C)c2C)N2CCOCC2)cc1,C38546094_decoy,GCR,Decoy,0,-8.88246,-2.32,-2.68,-3.751574838235404
COC(=O)c1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc(C)c1C,C36685944_decoy,GCR,Decoy,0,-10.5573,-4.62,-0.61,-5.392971919477387
O=C(Cc1coc2ccc3ccccc3c12)N[C@H](c1ccccc1)c1ccccn1,C36714834_decoy,GCR,Decoy,0,-10.1396,-5.51,-1.3,-5.141736812079398
CC1=C2C(=O)N=C([C@@H](C)Nc3ccccc3Sc3ccccc3)N=C2S[C@@H]1C,C39725033_decoy,GCR,Decoy,0,-9.95457,-6.03,-4.57,-5.2409686652916525
C[C@@H]1CCCCN1C(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12,C39852618_decoy,GCR,Decoy,0,-9.25973,-8.89,-0.92,-8.486221211221054
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2c(s1)CCC2,C40159469_decoy,GCR,Decoy,0,-10.391,-4.51,-1.85,-5.207152094812329
CC(C)[C@@H](C)NC(=O)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccc(Cl)cc1,C35192102_decoy,GCR,Decoy,0,-10.1677,-2.56,-2.46,-4.295676958193336
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2C[C@H]4C=C[C@@H]2C4)C3)s1,C43631809_decoy,GCR,Decoy,0,-10.3315,-6.0,-1.62,-5.885818888423316
C[C@H](SC(=S)N1CCCC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C22159987_decoy,GCR,Decoy,0,-11.0881,-3.47,-1.88,-4.566509162094914
O=C(Nc1cccc(-c2csc(N3CCCCC3)n2)c1)[C@@H](Cl)c1ccccc1,C00960465_decoy,GCR,Decoy,0,-10.6761,-5.46,-2.4,-5.18519448530679
O=C(CSC1=NC(=O)/C(=C\c2ccccc2)S1)Nc1cc(Cl)cc(Cl)c1,C59268165_decoy,GCR,Decoy,0,-11.6318,-9.47,-1.66,-8.895614064135529
CSc1nc2ccc(NC(=O)CSc3cccc4cccnc34)cc2s1,C59391519_decoy,GCR,Decoy,0,-11.9966,-4.0,-0.94,-5.658954912875402
OCCN(/N=N/c1ccc(Br)cc1)c1ccc(Br)cc1,C59465596_decoy,GCR,Decoy,0,-9.44773,-3.1,-0.49,-4.080563938575692
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2/C=[NH+]/C(C)C)cc1,C59946889_decoy,GCR,Decoy,0,-9.07799,-5.92,-3.11,-6.206882862953377
Cc1ccc(Sc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)cc2)cc1C,C60334061_decoy,GCR,Decoy,0,-11.709,-3.93,-3.53,-5.066591541644572
CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)C1,C60352686_decoy,GCR,Decoy,0,-11.2576,-2.57,-2.73,-4.661306995930007
CCC[C@H](NC(=O)c1sc2ccccc2c1C)C(=O)N1CCc2sccc2C1,C60373274_decoy,GCR,Decoy,0,-9.06785,-3.26,-2.77,-4.030060816942821
CC(C)c1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)CCCC3,C01378869_decoy,GCR,Decoy,0,-10.5384,-6.37,-4.31,-7.282060446677131
CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1,C01320547_decoy,GCR,Decoy,0,-8.43227,-4.05,-3.28,-4.028796591212324
CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2,C03645349_decoy,GCR,Decoy,0,-10.6932,-5.63,-3.54,-5.751912772645156
CCCNC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12,C04801589_decoy,GCR,Decoy,0,-9.99847,-5.14,-3.83,-8.26868256597067
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3)c2C)cc1C,C04894798_decoy,GCR,Decoy,0,-10.0106,-9.53,-3.89,-8.164332593975185
CN(C)c1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1Br,C05130099_decoy,GCR,Decoy,0,-10.149,-8.34,-4.62,-8.056030978787755
O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1ccccc1,C05288218_decoy,GCR,Decoy,0,-10.9952,-9.13,-3.55,-11.10654923163659
CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCC2,C05474079_decoy,GCR,Decoy,0,-9.93584,-4.26,-3.41,-4.727928982244679
CCc1cccc(C)c1NC(=O)COC(=O)/C=C/c1cccc(Br)c1,C05813558_decoy,GCR,Decoy,0,-9.22302,-8.51,-1.41,-9.069967194744972
O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1OC(F)F,C05829446_decoy,GCR,Decoy,0,-8.24658,-7.42,-1.07,-7.971834346948367
O=C(COC(=O)C1CC1)Nc1ccc(Sc2ccc(Br)cc2)cc1,C06058613_decoy,GCR,Decoy,0,-9.40125,-7.86,-3.06,-7.590796684545468
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1OCC,C01940622_decoy,GCR,Decoy,0,-9.61453,-2.55,-3.11,-4.087447628807486
C[C@H](NC(=O)COC(=O)/C=C/c1ccc(F)cc1)c1ccc(Br)cc1,C07565287_decoy,GCR,Decoy,0,-8.25638,-9.04,-2.59,-12.044398097423644
O=C(CSc1ncnc2sccc12)N[C@@H](Cc1ccccc1)c1ccccc1,C08262411_decoy,GCR,Decoy,0,-10.3767,-7.54,-3.67,-8.961496213597579
CC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1,C08854079_decoy,GCR,Decoy,0,-9.55347,-8.3,-1.41,-9.12947036284192
COc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1,C08854417_decoy,GCR,Decoy,0,-12.1126,-6.39,-1.54,-8.030820143274857
Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)S(=O)(=O)c2cccs2)cc1C,C08970258_decoy,GCR,Decoy,0,-9.18788,-4.9,-2.16,-4.929917238972639
O=S(=O)(NCc1cccn1Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2,C09527455_decoy,GCR,Decoy,0,-11.1101,-7.41,,99.0
CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Br)s2)cc1,C09605439_decoy,GCR,Decoy,0,-9.67412,-8.04,-2.16,-7.738850395259828
CCc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(Br)s2)cc1,C09605443_decoy,GCR,Decoy,0,-10.1544,-7.93,-1.76,-13.74156381484515
COc1ccc(SCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1,C10219185_decoy,GCR,Decoy,0,-12.8259,-7.48,-2.1,-8.523526489829163
C[C@H](NC(=O)[C@@H](C)Sc1nccn1-c1ccc(Br)cc1)c1ccccc1,C10885554_decoy,GCR,Decoy,0,-9.74471,-3.97,-2.37,-4.845733372884066
C[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)N[C@H](C)c1ccccc1,C10885584_decoy,GCR,Decoy,0,-8.31848,-8.54,-2.51,-8.552874134953713
C[C@@H](NC(=O)Cc1csc(COc2ccc(F)cc2)n1)c1ccc(Cl)cc1,C11562433_decoy,GCR,Decoy,0,-9.52105,-7.77,-1.92,-10.68767133141096
O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1,C12444150_decoy,GCR,Decoy,0,-9.81395,-8.87,-0.84,-8.554828901922933
Cc1nc(COc2ccc(/C=C/C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cs1,C14373984_decoy,GCR,Decoy,0,-11.0881,1.18,-2.53,-4.57344965472239
CCc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccc(Br)cc1,C08423481_decoy,GCR,Decoy,0,-8.3616,-4.1,-2.04,-4.2816012706895465
O=C(N/N=C/c1ccsc1)c1ccc(COc2ccccc2Br)cc1,C02761718_decoy,GCR,Decoy,0,-10.132,-7.71,-3.96,-7.212288208278494
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc2c(s1)CC[C@H](C)C2,C17915329_decoy,GCR,Decoy,0,-10.1481,-3.67,-1.48,-4.672998333705913
Cc1nc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)n(CC(C)C)c1C,C21432529_decoy,GCR,Decoy,0,-7.98575,-7.82,-4.09,-7.8975387561418255
O=C(CSc1ncnc2ccsc12)N[C@@H](Cc1ccccc1)c1ccccc1,C22005074_decoy,GCR,Decoy,0,-10.1412,-7.53,-1.25,-12.18065967847754
CSc1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1,C22704378_decoy,GCR,Decoy,0,-9.92221,-8.04,-1.88,-9.581895437863498
C[C@H](NC(=O)CSc1ncnc2scc(-c3ccccc3)c12)c1cccs1,C23561369_decoy,GCR,Decoy,0,-11.4821,-4.0,-4.9,-5.317658173065091
CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3cccs3)c2)n1,C33297747_decoy,GCR,Decoy,0,-11.6954,-8.13,-21.16,-8.947459850678932
CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1,C09304413_decoy,GCR,Decoy,0,-8.39561,-4.14,-3.59,-4.372733079134247
CCCN1CCCc2cc(CCNS(=O)(=O)c3ccc(Cl)s3)ccc21,C35588144_decoy,GCR,Decoy,0,-11.3134,-8.06,-3.53,-9.02304284456838
Cn1cccc1[C@H](CNC(=O)C1(c2cccs2)CCCC1)N1CCc2ccccc2C1,C38678477_decoy,GCR,Decoy,0,-10.8205,-7.09,-2.59,-8.939924912074057
C[C@@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1,C39546198_decoy,GCR,Decoy,0,-8.39241,-4.25,-0.83,-4.205153350796208
COC(=O)c1c(NC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)sc(C)c1C,C39794501_decoy,GCR,Decoy,0,-9.89635,-3.37,-4.87,-5.955944940126594
CSc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1,C45943371_decoy,GCR,Decoy,0,-11.5229,-8.45,-2.75,-8.056684097658025
C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1OCC,C46076065_decoy,GCR,Decoy,0,-11.1914,-5.49,-2.06,-5.488253869579629
O=C(COc1ccc2ccccc2c1)NCC1(c2c(F)cccc2Cl)CCOCC1,C49524043_decoy,GCR,Decoy,0,-9.88331,-10.5,-1.11,-9.96170811633825
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1C,C58927261_decoy,GCR,Decoy,0,-11.3078,-8.74,-4.87,-9.980473436458906
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1C,C58927267_decoy,GCR,Decoy,0,-10.7263,-9.03,-4.67,-10.224461960143154
O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1N1CCOCC1,C34896434_decoy,GCR,Decoy,0,-9.73299,-4.73,-3.44,-5.130423118664846
CCCOc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1,C20197487_decoy,GCR,Decoy,0,-8.79916,-6.86,-0.93,-6.25288977017401
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)c(OC[C@H]2CCCO2)c1,C60301265_decoy,GCR,Decoy,0,-10.0324,-3.04,-2.11,-4.339215603002384
O=C(CC[C@@H]1CCS(=O)(=O)C1)NC[C@@H](c1ccc(Cl)cc1)C1CCCC1,C62124952_decoy,GCR,Decoy,0,-10.9009,-4.79,-2.33,-5.555178750624469
COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1,C56354215_decoy,GCR,Decoy,0,-10.254,-8.56,-4.17,-12.494390687965485
Fc1cccc(Oc2ncccc2CNCc2csc(-c3ccsc3)n2)c1,C67188108_decoy,GCR,Decoy,0,-10.5053,-8.94,-1.48,-8.97478920335773
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@H](C)CCc4ccco4)[C@H]3C[C@@H]12,C04073362_decoy,GCR,Decoy,0,-10.4809,-8.33,-2.85,-7.97654359682124
Cc1cccc(C(C)C)c1NC(=O)C[NH+](Cc1ccco1)Cc1cccs1,C07580492_decoy,GCR,Decoy,0,-9.84648,-7.61,-4.17,-8.881542800116046
CC(C)[C@@H](O)c1ccc2c(c1)C[NH+](Cc1ccc(OC(F)F)cc1)CCO2,C11881142_decoy,GCR,Decoy,0,-9.49161,-9.26,-2.78,-8.932924792781918
CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C,C12362787_decoy,GCR,Decoy,0,-10.22,-6.94,-1.8,-10.454018678290453
CN1CCCc2cc([C@H](CNC(=O)Cc3cccs3)[NH+]3CCCC3)ccc21,C13008218_decoy,GCR,Decoy,0,-10.4744,-4.12,-1.4,-4.798340845311199
CC[C@@H]1CCCC[NH+]1CCCNS(=O)(=O)c1ccc(Br)s1,C13647862_decoy,GCR,Decoy,0,-10.8473,-6.34,-3.73,-11.389344740059256
O=C(Cc1coc2cc3c(cc12)CCC3)NCc1ccc(C[NH+]2CCCC2)cc1,C15140096_decoy,GCR,Decoy,0,-9.40341,-4.13,-6.56,-4.27986021569549
Cc1ccc(C[NH+](Cc2cc(C)n(-c3ncccc3C)c2C)C[C@H](C)O)s1,C19237890_decoy,GCR,Decoy,0,-10.453,-7.2,-3.46,-8.98156123220695
Clc1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c(Cl)c1,C18210659_decoy,GCR,Decoy,0,-9.56737,-8.82,-0.73,-8.513995577130679
C/C(=C\c1ccccc1)CN1CCC([NH+]2CCC[C@H](C(=O)NC3CC3)C2)CC1,C15066432_decoy,GCR,Decoy,0,-9.51797,-3.54,-0.77,-4.548584017294724
C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1c(F)cccc1Cl,C22198759_decoy,GCR,Decoy,0,-10.1105,-6.4,-1.89,-7.734335521837158
CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(C)c2)CC1,C22460076_decoy,GCR,Decoy,0,-7.99619,-8.37,-1.87,-11.141120950036408
CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(C)c2)CC1,C22460082_decoy,GCR,Decoy,0,-9.1624,-8.51,-2.07,-10.879121286264702
O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1F,C22932463_decoy,GCR,Decoy,0,-9.95772,-7.68,-1.09,-11.61710149817273
CC[NH+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1,C23330169_decoy,GCR,Decoy,0,-10.6025,-7.5,-4.47,-9.366040858044512
O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(C[NH+]2CCCC2)cc1,C24115833_decoy,GCR,Decoy,0,-11.6671,-5.42,-47.28,-6.859997251983097
CC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1,C24928467_decoy,GCR,Decoy,0,-10.3973,-7.44,-2.31,-12.553676685524897
O=C1C[C@@H](CNc2ccc(CC[NH+]3CCCCCC3)cc2)C2(CCCCC2)O1,C27528785_decoy,GCR,Decoy,0,-11.0703,-6.36,-1.11,-6.947302026581276
Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1,C28291530_decoy,GCR,Decoy,0,-8.38404,-4.79,-1.97,-4.935585352562471
O=C(COc1ccccc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1,C31895969_decoy,GCR,Decoy,0,-9.31356,-9.13,-4.8,-10.861992970738966
Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[NH2+]CC2CC2)c1,C36094729_decoy,GCR,Decoy,0,-9.67497,-8.39,-2.12,-9.280518993601724
O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1,C36098377_decoy,GCR,Decoy,0,-9.56693,-8.63,-4.03,-10.64117471498636
Cc1ccccc1-c1cccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1,C39455132_decoy,GCR,Decoy,0,-9.8066,-2.9,-4.16,-4.151037066026732
O=C(NCc1ccco1)[C@@H]1CC[C@H](c2ccccc2)[NH+](Cc2ccccc2)C1,C40413098_decoy,GCR,Decoy,0,-9.22023,-3.31,-1.5,-4.611351093757099
O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)c(Cl)c1,C43953947_decoy,GCR,Decoy,0,-10.9499,-4.49,-1.93,-4.730828661796336
CCC[NH2+]Cc1ccc(Oc2cccc(I)c2)nn1,C51570647_decoy,GCR,Decoy,0,-8.40056,-7.16,-3.47,-7.353192210830204
CC[NH2+][C@H](C)c1cc(Br)ccc1OCc1ncc(Cl)n1C,C52067523_decoy,GCR,Decoy,0,-9.42529,-7.01,-0.97,-8.111911537886543
Cc1cc(Br)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1,C55446258_decoy,GCR,Decoy,0,-9.65756,5.76,-2.09,-1.8589050369805813
CC1CC[NH+](CCCCNS(=O)(=O)c2ccc(Br)s2)CC1,C56066284_decoy,GCR,Decoy,0,-11.138,-5.49,,99.0
C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cc3cccc4cccnc34)cc2)C1,C57586615_decoy,GCR,Decoy,0,-9.6776,-7.36,-2.4,-6.2766307159199695
Cc1nc(-c2ccc(CC(=O)N[C@H](C)C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)cs1,C60016104_decoy,GCR,Decoy,0,-10.9628,-9.96,-0.34,-18.54867343026288
CC[NH+](C)Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)c1,C60061838_decoy,GCR,Decoy,0,-9.07795,-6.94,-5.23,-7.054130130082937
C[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)C[NH+]1CCCCC1,C60396239_decoy,GCR,Decoy,0,-10.1005,-7.73,-5.08,-7.627586446301177
Cc1ccc([C@H]2[NH+]=c3ccccc3=C2SCCNC(=O)c2ccncc2)cc1,C63437364_decoy,GCR,Decoy,0,-9.64156,-9.08,-2.37,-9.101959919519526
CC(C)[NH+]1CC[C@@H](CNC(=O)COc2ccc(Cl)cc2Br)C1,C63834549_decoy,GCR,Decoy,0,-9.2201,-6.26,-3.55,-7.887457065709675
C[C@@H]1N=C(c2ccc(CCNC(=O)CC3=c4ccccc4=[NH+]C3)s2)CS1,C64156493_decoy,GCR,Decoy,0,-10.6701,-9.52,-3.87,-15.087806542383046
COC[C@@H](C)NC(=O)CCC1=c2cc(F)ccc2=[NH+][C@@H]1c1ccc(F)cc1,C64737624_decoy,GCR,Decoy,0,-8.85072,-8.06,-6.41,-9.002634307780632
C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(NC(=O)c2ccsc2)CC1,C64989548_decoy,GCR,Decoy,0,-9.29632,-1.61,-3.68,-3.968608362166553
Fc1ccccc1Oc1ccc(C[NH2+]Cc2cn3ccsc3n2)cc1F,C65933783_decoy,GCR,Decoy,0,-8.94072,-6.53,-0.26,-6.38586298497498
CCO[C@H]1C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1,C66841800_decoy,GCR,Decoy,0,-10.361,-3.79,-4.37,-4.721811486381776
CCO[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1,C66841801_decoy,GCR,Decoy,0,-10.5441,-5.91,-3.0,-7.173512781107852
C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1ccc(N2CCCC2=O)cc1,C67121145_decoy,GCR,Decoy,0,-9.33762,-8.98,-4.54,-8.879348506510382
O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1,C67181299_decoy,GCR,Decoy,0,-9.40303,-9.36,-1.57,-15.260281554845657
O=C(NCCC[NH+]1CCCCCC1)c1ccccc1SC[C@@H]1CCCO1,C41799933_decoy,GCR,Decoy,0,-10.8949,-8.14,-2.2,-12.329183869590992
CCOc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)cc1OC,C67186039_decoy,GCR,Decoy,0,-10.1013,-8.46,-0.62,-14.158927100626052
Cn1cc[nH+]c1[C@@H](NCc1csc(-c2ccsc2)n1)c1cccc(F)c1,C67186567_decoy,GCR,Decoy,0,-11.5463,-2.79,-2.61,-4.835450194715894
Fc1cc(C[NH2+]Cc2csc(-c3ccsc3)n2)ccc1N1CCOCC1,C67214327_decoy,GCR,Decoy,0,-10.4811,-4.75,-3.06,-4.88121825336419
c1cc(-c2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cs2)cs1,C67216312_decoy,GCR,Decoy,0,-10.9402,-3.66,-4.14,-5.0945777345838605
O=c1ccccn1Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1,C67249175_decoy,GCR,Decoy,0,-6.61028,-5.75,-2.41,-4.320981474075258
Cc1ccc([C@@H](CNC(=O)C2(c3cccc(F)c3)CCOCC2)[NH+](C)C)cc1,C67267057_decoy,GCR,Decoy,0,-10.216,-6.87,-1.65,-9.303691289966007
Cc1cc(C)cc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1,C04059426_decoy,GCR,Decoy,0,-10.0871,-6.91,-1.79,-7.884304486098673
Cc1cc2nc(S[C@H](C(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C,C00632964_decoy,GCR,Decoy,0,-9.54185,-5.04,-1.37,-4.874187960352301
COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1,C04689208_decoy,GCR,Decoy,0,-10.4283,-9.45,-0.28,-7.718964648389429
Cc1ccc(NCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1,C04457703_decoy,GCR,Decoy,0,-9.1224,-9.15,-1.77,-8.194190757258298
C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C#N)C1,C05191829_decoy,GCR,Decoy,0,-10.5903,-5.1,-1.46,-7.502852773703199
O=C(Cc1cccs1)Nc1sc2ccccc2c(=O)c1-c1ccccc1,C05345571_decoy,GCR,Decoy,0,-10.5654,-5.2,-2.11,-5.321064989573217
O=C(/C=C/c1cccc(Br)c1)Nc1nc2c(ccc3ccccc32)s1,C02638579_decoy,GCR,Decoy,0,-9.55695,-2.2,-1.58,-3.767159788229544
O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1,C02793757_decoy,GCR,Decoy,0,-10.115,-4.08,-1.14,-4.478625803561398
CC(C)(C)NC(=S)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl,C07345550_decoy,GCR,Decoy,0,-10.543,-6.86,-4.26,-10.972929857376382
CN1/C(=C\C(=S)NC(=O)c2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21,C12524320_decoy,GCR,Decoy,0,-11.3238,2.99,-1.57,-3.7485686873882496
Clc1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1,C14465580_decoy,GCR,Decoy,0,-10.6196,-1.81,-0.64,-4.1063490667876685
Clc1ccccc1[C@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21,C14466437_decoy,GCR,Decoy,0,-10.4231,11.37,-1.84,0.4913631299557415
COC(=O)c1cccc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21,C14549237_decoy,GCR,Decoy,0,-10.663,-3.05,-3.64,-3.989873881317979
O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)c2c(sc3c2CCCC3)N1,C15084824_decoy,GCR,Decoy,0,-10.7465,-3.85,-2.61,-4.847900545225623
Cc1ccc(CCNc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1,C15782781_decoy,GCR,Decoy,0,-10.1254,-8.04,-1.96,-9.56765606256586
Cc1cccc(NCN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)c1,C20073053_decoy,GCR,Decoy,0,-9.54579,-3.89,-0.87,-4.359037554640549
CCCC[C@@H](Br)C(=O)Nc1nc2cc(Cl)c(C)cc2s1,C20132890_decoy,GCR,Decoy,0,-10.9559,-5.28,-2.04,-5.651922489313578
Clc1ccc([C@@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@H]32)cc1,C20699956_decoy,GCR,Decoy,0,-10.4013,-1.77,-1.41,-3.7507671543924186
Clc1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20699959_decoy,GCR,Decoy,0,-10.7132,-0.33,-3.99,-3.622551097825972
Clc1ccc([C@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20699965_decoy,GCR,Decoy,0,-10.8369,-3.27,-3.16,-4.516606013977083
Clc1ccccc1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@@H]2C=CC[C@H]21,C20700611_decoy,GCR,Decoy,0,-10.7134,-10.43,-3.35,-13.872513321777603
Clc1ccccc1[C@H]1Nc2ccc(OC[C@H]3CCCO3)cc2[C@@H]2C=CC[C@@H]12,C20700620_decoy,GCR,Decoy,0,-11.4719,-9.62,-0.87,-20.827998588378925
Clc1ccccc1[C@H]1Nc2c(OC[C@H]3CCCO3)cccc2[C@@H]2C=CC[C@@H]12,C20700814_decoy,GCR,Decoy,0,-10.7854,-3.06,-3.02,-4.331969712988673
CN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccs1)N2)c1ccccc1,C20753253_decoy,GCR,Decoy,0,-10.7658,-2.94,-5.04,-4.317620078120331
COc1cc(N[C@H](C)c2ccc(Br)cc2)c(OC)cc1Cl,C21809724_decoy,GCR,Decoy,0,-9.24062,-7.62,-2.58,-7.217128215638169
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)s1,C22841305_decoy,GCR,Decoy,0,-10.0625,-5.12,-2.02,-4.7497014880985295
C[C@@H]1CCCC[C@H]1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1,C26750272_decoy,GCR,Decoy,0,-10.4063,-5.7,-3.96,-6.29757559950167
Cc1cccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)c1,C31854481_decoy,GCR,Decoy,0,-9.67279,-8.24,-0.7,-7.133687516662945
Cc1ccc(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1,C24536278_decoy,GCR,Decoy,0,-11.5701,-9.2,-1.37,-8.57598208745418
COc1ccc([C@H](C)Nc2cc(Cl)cc(Br)c2OC)cc1,C36981874_decoy,GCR,Decoy,0,-8.93604,-7.86,-2.05,-8.52833048357325
COc1ccc([C@@H](C)Nc2cc(Cl)cc(Br)c2OC)cc1,C36981875_decoy,GCR,Decoy,0,-9.44847,-7.11,-0.83,-8.494521127159942
Cc1ccc([C@@H](C)Nc2cc(Cl)cc(Br)c2OC(F)F)o1,C36989753_decoy,GCR,Decoy,0,-8.0962,-7.99,-1.9,-8.350996427053932
Cc1ccc([C@H](C)Nc2cc(Cl)cc(Br)c2OC(F)F)o1,C36989754_decoy,GCR,Decoy,0,-7.40309,-7.78,-0.84,-7.311603229794111
COc1ccc([C@@H](C)Nc2ccc(Br)cc2Cl)c(OC)c1,C37392198_decoy,GCR,Decoy,0,-8.61839,-6.61,-0.87,-7.95963032971195
COc1cc(OC)c(N[C@H](C)c2ccc(Br)s2)cc1Cl,C38001694_decoy,GCR,Decoy,0,-9.90137,-6.51,-1.99,-8.293161452347189
COc1c(C)cc(Br)cc1C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2,C41107615_decoy,GCR,Decoy,0,-10.4993,-5.27,-3.66,-5.532838791716143
Cc1c(Cl)cccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1,C45471366_decoy,GCR,Decoy,0,-11.5754,-7.39,-1.07,-9.150731225224884
Cc1ccc(CN2C(=O)C(O)=C(c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1,C45928349_decoy,GCR,Decoy,0,-8.21182,-4.0,-2.14,-3.88725975379272
Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1,C45942258_decoy,GCR,Decoy,0,-10.1979,-4.77,-2.88,-4.7511877657883055
CC[C@H](CNC(=O)c1c(Br)c2ccccc2n1C)c1ccccc1,C46691048_decoy,GCR,Decoy,0,-9.19139,-9.06,-1.23,-9.209339941528302
COc1ccc(C(=O)/C=C(\C)Nc2ccc(Br)cc2Cl)cc1,C04836746_decoy,GCR,Decoy,0,-10.2093,-5.35,-5.11,-4.9393028161316295
Cc1ccc(-c2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1,C33696530_decoy,GCR,Decoy,0,-11.862,-3.69,-0.5,-4.981518554572805
Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(F)cc1Br,C59305120_decoy,GCR,Decoy,0,-9.92241,-2.29,-1.37,-3.9155412900976727
Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C,C05829362_decoy,GCR,Decoy,0,-9.45948,-7.57,-1.77,-8.996481477843815
Cc1ccc(-c2csc(N/N=C\c3cccc(Br)c3)n2)cc1,C59392237_decoy,GCR,Decoy,0,-10.1999,-8.29,-2.15,-7.265182613024305
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(F)cc1,C20247372_decoy,GCR,Decoy,0,-10.6305,-9.06,-2.05,-9.522046210762836
O=C(Nc1ccc(N2CCCC2)c(F)c1)c1sc2ccccc2c1Cl,C59784172_decoy,GCR,Decoy,0,-10.087,-4.36,-0.88,-4.872915106564505
O=C(Nc1cccc(/C=C2\Cc3c(Cl)cccc3C2=O)c1)c1ccccc1Cl,C60132823_decoy,GCR,Decoy,0,-10.5127,-4.7,-1.91,-4.578341205066753
O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCC(Nc2ccc(F)cc2)CC1,C67593035_decoy,GCR,Decoy,0,-10.3054,-3.85,-1.25,-4.951582915133173
O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCC(Nc2ccc(F)cc2)CC1,C67593036_decoy,GCR,Decoy,0,-10.1605,-8.74,-0.53,-8.495037280079352
COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2,C04151393_decoy,GCR,Decoy,0,-9.78534,-2.43,-1.23,-3.4994535797525423
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2,C04199896_decoy,GCR,Decoy,0,-9.9653,-2.01,-0.64,-3.489957880076829
O=C(C1=NNC[C@@H]1c1c(Cl)cccc1Cl)c1ccc2ccccc2c1,C04343156_decoy,GCR,Decoy,0,-8.9152,-10.36,-1.0,-9.347337696787331
O=C(C1=NNC[C@H]1c1c(Cl)cccc1Cl)c1ccc2ccccc2c1,C04343157_decoy,GCR,Decoy,0,-9.26768,-5.13,-3.93,-4.427389840722989
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2,C00871832_decoy,GCR,Decoy,0,-9.60364,-6.24,-0.9,-12.380089026866893
Cc1nc(C)c(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)s1,C01421775_decoy,GCR,Decoy,0,-11.55,-1.88,-1.02,-3.710642295859726
O=C(Cc1ccc(Br)cc1)N/N=C/c1c(F)cccc1Cl,C04735353_decoy,GCR,Decoy,0,-8.23687,-7.35,-1.41,-7.878114168018032
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1,C02282311_decoy,GCR,Decoy,0,-10.4386,-4.32,-3.71,-4.634760345882388
Cc1ccccc1NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,C01063151_decoy,GCR,Decoy,0,-9.89309,-9.09,-1.26,-7.793924990874044
C[C@H]1CCc2sc(NC(=O)Cc3cccc4ccccc34)c(C#N)c2C1,C05185846_decoy,GCR,Decoy,0,-10.376,-1.45,-1.83,-3.6758170705589617
Brc1ccc(-c2csc(N/N=C/[C@H]3CC=CCC3)n2)cc1,C05215051_decoy,GCR,Decoy,0,-10.3439,-6.39,-1.31,-6.070436980844759
CCSc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1,C05241548_decoy,GCR,Decoy,0,-10.0785,63.56,-6.13,19.197809250528987
CSc1ccc(NC(=O)N2CCS[C@H]2c2ccc(C)cc2C)cc1,C00692157_decoy,GCR,Decoy,0,-9.76716,-6.04,,99.0
Cc1ccc([C@H](C)NC(=O)CSc2nc3ccccc3s2)cc1C,C05629088_decoy,GCR,Decoy,0,-8.93771,-8.19,-2.65,-8.467418438097763
Oc1cc(Br)ccc1/C=N/c1nc(-c2ccccc2)cs1,C01091778_decoy,GCR,Decoy,0,-10.663,-5.27,-0.7,-4.876745440523358
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1C,C05744631_decoy,GCR,Decoy,0,-9.17453,-6.38,-2.53,-5.856446012267895
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(C)c(Br)c1,C06032987_decoy,GCR,Decoy,0,-8.39396,-4.66,-1.97,-4.678787922251842
C[C@@H]1CCc2sc(C(=O)N/N=C/C(Cl)=C/c3ccccc3)cc2C1,C06051744_decoy,GCR,Decoy,0,-10.1132,-6.15,-0.98,-5.5670082313337845
COc1cc(/C=C/c2nc3ccccc3s2)cc(Br)c1O,C06639606_decoy,GCR,Decoy,0,-9.15363,-2.0,-1.15,-3.143371784732912
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)c1,C07156816_decoy,GCR,Decoy,0,-9.16704,-2.34,-2.1,-3.940955009617857
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(Br)s1,C07165634_decoy,GCR,Decoy,0,-9.98885,-7.36,-1.63,-7.293692997063188
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Br)cc1F,C07968973_decoy,GCR,Decoy,0,-9.1373,-4.8,-1.37,-4.555026851565793
O=C(CSc1nccc2ccccc12)Nc1cc(Cl)cc(Cl)c1,C09970844_decoy,GCR,Decoy,0,-10.0611,-7.84,-0.98,-8.410880099932617
c1csc(CCNC2=NN=C(C34CC5CC(CC(C5)C3)C4)CS2)c1,C11128405_decoy,GCR,Decoy,0,-10.834,-6.68,-2.41,-7.275818961024979
Cc1ccsc1[C@@H]1Nc2ccc(OC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21,C14456044_decoy,GCR,Decoy,0,-11.0991,-9.64,-2.54,-14.34603423803163
Cc1ccsc1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@H]21,C14456150_decoy,GCR,Decoy,0,-10.1841,-5.33,-3.06,-4.880455726706231
Cc1ccccc1[C@@H]1Nc2c(OC[C@@H]3CCCO3)cccc2[C@H]2C=CC[C@H]21,C14478999_decoy,GCR,Decoy,0,-9.7434,-5.08,-3.81,-4.8465616922763415
Fc1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1,C14549859_decoy,GCR,Decoy,0,-10.0414,-10.19,-5.66,-9.835409856230449
CCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Cl)cc2s1,C20132511_decoy,GCR,Decoy,0,-9.91371,6.81,-3.63,-1.1868929732029403
Cc1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c1,C14988554_decoy,GCR,Decoy,0,-9.75746,-9.05,-0.84,-7.634252721497749
Cc1ccsc1[C@H]1Nc2c(OC[C@H]3CCCO3)cccc2[C@@H]2C=CC[C@@H]12,C20688536_decoy,GCR,Decoy,0,-9.92642,-4.07,-3.79,-4.6660841161309845
Cc1ccccc1[C@@H]1Nc2c(OC[C@H]3CCCO3)cccc2[C@@H]2C=CC[C@H]21,C20714811_decoy,GCR,Decoy,0,-10.0904,-3.71,-2.2,-4.278189137332458
Fc1ccc([C@H]2Nc3ccc(OC[C@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]23)cc1,C20754612_decoy,GCR,Decoy,0,-10.0209,-10.24,-3.53,-12.631506003397565
CC1CCC(=NNc2nc(-c3ccc(Br)cc3)cs2)CC1,C27529345_decoy,GCR,Decoy,0,-10.5873,-3.84,-1.7,-4.316295678789109
Fc1cccc(/C=N\Nc2nc(-c3ccc(Br)cc3)cs2)c1,C31854459_decoy,GCR,Decoy,0,-9.05443,-8.28,,99.0
O=c1c2c3c(sc2[nH]c(=S)n1CCC1=CCCCC1)CCCCC3,C17074329_decoy,GCR,Decoy,0,-11.3379,-2.21,0.12,-3.9591280356346
C[C@@H](NC(=O)c1cc(-c2ccsc2)nc2ccccc12)c1ccccc1,C35217109_decoy,GCR,Decoy,0,-10.4039,-5.56,-3.27,-5.59194791907384
CC(C)n1cc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl,C36860150_decoy,GCR,Decoy,0,-8.77787,-7.88,-1.88,-7.6060776280401585
O=S(=O)(NC1CCCCCCC1)c1ccc(F)cc1Br,C37574665_decoy,GCR,Decoy,0,-8.15561,16.85,-1.31,2.88162386234114
C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Br)s1,C38002621_decoy,GCR,Decoy,0,-9.4548,-2.34,-3.19,-3.624109664616261
Cc1ccc(CCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@H](C)C3)cc1,C41018748_decoy,GCR,Decoy,0,-10.8215,-4.69,-3.97,-4.808512595752397
Cc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(F)c(F)c3)C2)cc1,C43083216_decoy,GCR,Decoy,0,-8.70707,-8.74,-0.74,-7.667056606200175
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1,C02282679_decoy,GCR,Decoy,0,-9.27831,-7.64,-2.89,-6.859724499566832
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1,C04263940_decoy,GCR,Decoy,0,-9.14724,-4.19,-1.18,-4.072920379265175
O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1cc(F)ccc1F,C57381373_decoy,GCR,Decoy,0,-10.6026,-3.44,-50.36,-4.139375367778051
O=C(N/N=C/c1ccccc1I)c1cccc(Cl)c1,C06335691_decoy,GCR,Decoy,0,-8.96181,-7.62,-2.55,-11.320657359603368
CC(C)c1ccc(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1,C60114050_decoy,GCR,Decoy,0,-8.15896,-4.27,-4.14,-4.154434088248078
CC(C)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1,C60114055_decoy,GCR,Decoy,0,-7.78075,-3.52,-2.85,-3.4865185043149727
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)c(C)c1,C06415174_decoy,GCR,Decoy,0,-8.55553,-4.34,-4.15,-4.022347327798441
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)cc1O,C62017675_decoy,GCR,Decoy,0,-8.95587,-3.64,-0.61,-4.082563684336876
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(I)cc2Cl)cc1,C03002949_decoy,GCR,Decoy,0,-9.7105,-3.73,-1.28,-4.510160809507082
FC(F)Oc1ccc(NC(=S)Nc2ccc(Br)cc2Br)cc1,C02638346_decoy,GCR,Decoy,0,-8.73439,-4.41,-0.02,-4.383592666115766
O=C1C(c2ccccc2)=C(c2ccccc2)[C@](O)(c2ccccc2)[C@@]1(O)c1ccccc1,C00622790_decoy,GCR,Decoy,0,-10.2628,-3.85,-1.17,-4.201076953029567
CN(C)c1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)Sc2ccccc2N)cc1,C08648186_decoy,GCR,Decoy,0,-10.8195,-5.11,-2.44,-5.319113232179139
Oc1c(Br)cc(Br)cc1/C=N\N=C(/S)Nc1ccccc1,C08798176_decoy,GCR,Decoy,0,-11.4243,-3.34,-1.26,-5.131202968419629
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(I)cc1F,C08831293_decoy,GCR,Decoy,0,-11.5306,-3.91,-1.61,-4.862030985670823
O=C(NC(=S)Nc1ccc(Br)cc1F)c1cc(Br)ccc1Cl,C08831302_decoy,GCR,Decoy,0,-12.5729,-8.41,-2.42,-8.2247461915603
O=C(NNC(=O)c1cc2c(s1)CCCC2)c1cc(Br)c(Br)s1,C08878411_decoy,GCR,Decoy,0,-12.0377,-1.77,-1.0,-4.009980652550734
CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2,C09981285_decoy,GCR,Decoy,0,-7.02258,-2.04,-3.88,-2.643893513642541
CSc1sc(C)cc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2)C2=C1C(=O)CC(C)(C)C2,C09981538_decoy,GCR,Decoy,0,-5.66503,-1.88,-2.01,-2.156764126234196
O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccccc1,C10059613_decoy,GCR,Decoy,0,-9.14935,-5.14,-2.57,-4.687963678138786
Cc1cc(C)c2c(c1)/C(=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)CCC2,C12311556_decoy,GCR,Decoy,0,-9.68278,-10.12,-2.99,-14.045617666427727
O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1ccc(Br)c(Cl)c1,C12497187_decoy,GCR,Decoy,0,-10.9098,-7.22,-1.75,-6.531078780432974
O=C(/C=C/c1cccc2ccccc12)NC(=S)Nc1ccc(I)cc1,C12497189_decoy,GCR,Decoy,0,-12.2781,-6.06,-3.41,-5.013890286571395
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2,C13639402_decoy,GCR,Decoy,0,-12.0155,-3.6,-4.37,-5.031064980958141
O=C(NC(=S)Nc1ccc(I)cc1F)c1cccc2ccccc12,C14271047_decoy,GCR,Decoy,0,-9.57568,-9.39,-5.04,-10.690328688010652
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21,C14477084_decoy,GCR,Decoy,0,-10.8715,-4.11,-1.46,-4.742282768989012
O=C(Nc1ccccc1)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21,C14477467_decoy,GCR,Decoy,0,-10.7107,-3.43,-0.86,-4.501184605844945
CC(C)(C)NC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@@H]1CC=C[C@H]21,C14546828_decoy,GCR,Decoy,0,-10.3554,-4.38,-0.81,-4.585414401383115
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2,C14552241_decoy,GCR,Decoy,0,-10.2615,-3.2,-2.45,-4.5306106244212
CC[C@H](Br)C(=O)NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,C15772447_decoy,GCR,Decoy,0,-11.0866,-6.86,-2.5,-10.657247585563251
O=C(/C=C/c1cc(Br)ccc1F)NNC(=O)c1cc(Cl)ccc1Cl,C15985835_decoy,GCR,Decoy,0,-9.82736,-4.4,-3.12,-4.574933070738559
CCC[C@@H](C)NC(=O)[C@H](C)Nc1c(Br)cc(Br)cc1Br,C20504621_decoy,GCR,Decoy,0,-10.6637,-6.69,-1.89,-14.227129040451851
CCCCNC(=O)[C@H](C)Nc1c(Br)cc(Br)cc1Br,C20504654_decoy,GCR,Decoy,0,-10.275,-6.66,-0.52,-8.870648094848772
CCCNC(=O)[C@@H](C)Nc1c(Br)cc(Br)cc1Br,C20504665_decoy,GCR,Decoy,0,-10.0245,-6.32,-1.14,-10.261838596418816
O[C@H](CNCc1ccc(-c2ccc(Br)cc2Br)o1)c1ccccc1,C13730727_decoy,GCR,Decoy,0,-10.2924,-9.09,-4.54,-8.214258521134012
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2,C20681247_decoy,GCR,Decoy,0,-11.7768,-3.67,,99.0
O=C(Nc1ccccc1)c1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21,C20712189_decoy,GCR,Decoy,0,-6.32877,-5.74,-1.96,-3.303013151582664
O=C(CNc1cccc(I)c1)Nc1cccc(Cl)c1Cl,C26782198_decoy,GCR,Decoy,0,-8.79123,-8.14,-2.63,-8.929903160479462
CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc(I)cc1,C33040213_decoy,GCR,Decoy,0,-9.20635,-6.92,-0.18,-8.717486707867184
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC1CCCCC1)C(Cl)(Cl)Cl,C35047587_decoy,GCR,Decoy,0,-11.8336,-5.85,-2.16,-8.981344653984895
Nc1ccc(OCCOc2c(Br)cc(Br)cc2Br)cc1,C36985995_decoy,GCR,Decoy,0,-9.81384,-1.92,-1.82,-3.904281477709175
Brc1ccc(NCc2c[nH]nc2-c2cccs2)c(Br)c1,C37278844_decoy,GCR,Decoy,0,-10.1533,-7.74,-2.4,-8.279393727964981
Cc1cc(Br)c(NC[C@H](O)COCc2cccs2)c(Br)c1,C37885222_decoy,GCR,Decoy,0,-11.0044,-5.88,-2.67,-7.796211050194029
Cc1cc(Br)c(NC[C@@H](O)COCc2cccs2)c(Br)c1,C37885223_decoy,GCR,Decoy,0,-10.8331,-7.23,-3.55,-8.586570658048176
CC(C)(C)OC[C@H](O)CNc1c(Br)cc(Br)cc1Br,C37885261_decoy,GCR,Decoy,0,-10.4629,-6.46,-1.99,-12.877472112474706
O[C@H](CNc1c(Cl)cc(Br)cc1Cl)COCc1cccs1,C37885351_decoy,GCR,Decoy,0,-11.6338,-7.08,-0.94,-8.719942853020598
C[C@H](Nc1c(Br)cc(Br)cc1Br)c1cc[nH]n1,C37907035_decoy,GCR,Decoy,0,-9.16001,-6.76,-2.87,-8.364582716000115
CCC[C@H](Oc1ccccc1N)C(=O)c1cc(Br)ccc1Br,C40352929_decoy,GCR,Decoy,0,-10.2043,-8.41,-1.32,-12.444551921461333
CC[C@@]([NH2+]Cc1ccc(Br)s1)(C(=O)[O-])c1ccc(Br)cc1,C41809597_decoy,GCR,Decoy,0,-9.79185,-6.38,-4.87,-8.033364654085222
CCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCc1cccs1,C43225376_decoy,GCR,Decoy,0,-11.4185,-5.29,-3.8,-5.772214208160531
CC[C@@H](c1ccc(Br)cc1)n1nc(C)c(I)c1N,C43668793_decoy,GCR,Decoy,0,-8.78166,-6.43,-3.16,-8.17841946510617
CCCCCNC(=O)Nc1cc(Br)ccc1I,C49030283_decoy,GCR,Decoy,0,-9.03464,-6.79,-0.89,-10.637023292988834
O=C(NCc1ccc(Br)s1)Nc1ccccc1I,C49254629_decoy,GCR,Decoy,0,-9.48174,-8.42,-0.72,-7.422959129430866
CCNc1cc(C(=O)Nc2cc(Br)ccc2Br)cc(Cl)n1,C50785995_decoy,GCR,Decoy,0,-10.9239,-8.84,-3.37,-15.28568803140164
CCc1ccc2c(c1)[C@H](Nc1ccc(Br)cc1Br)C(=O)N2,C42104472_decoy,GCR,Decoy,0,-10.0784,-8.59,-1.62,-9.078508060176366
Cc1cc(NC(=S)NC(=O)/C=C/c2ccccc2)cc(C)c1I,C59294377_decoy,GCR,Decoy,0,-10.2901,-4.8,-1.41,-5.298050828558751
CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(I)cc2)cc1,C59437607_decoy,GCR,Decoy,0,-10.8097,-4.02,-6.66,-5.094457077970125
O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(I)cc1,C59437625_decoy,GCR,Decoy,0,-10.2683,-6.23,-1.02,-8.696859294436962
CC(C)Cc1ccc([C@H](C)C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1,C66199484_decoy,GCR,Decoy,0,-10.5505,-8.38,-1.86,-8.941377860440237
Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1,C00202095_decoy,GCR,Decoy,0,-7.99835,-2.33,-0.8,-2.4491328734437974
OCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,C01615372_decoy,GCR,Decoy,0,-8.63381,-6.43,-0.73,-7.006562687135572
S=C1NC(c2ccc(Br)cc2)=C[C@@H](c2cccs2)N1,C00728166_decoy,GCR,Decoy,0,-8.94083,-6.03,-1.73,-5.340580783593008
Cc1c(N)c(Cl)cc(Cl)c1-c1nc2ccccc2o1,C00569844_decoy,GCR,Decoy,0,-8.45626,-8.67,0.26,-6.623065561852072
CC(C)c1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1,C11632147_decoy,GCR,Decoy,0,-9.98971,-8.71,-0.52,-9.308415661353925
O[C@]12CCCC[C@@H]1C1(CCCCC1)O[C@@]1(O)CCCC[C@H]21,C12436943_decoy,GCR,Decoy,0,-8.00388,-4.8,-1.57,-2.485624613816825
Cc1ccc([C@@H]2Nc3c(O)ccc(C)c3[C@@H]3C=CC[C@H]32)s1,C14456430_decoy,GCR,Decoy,0,-9.41256,-5.21,-0.73,-3.709441984909708
Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2,C14465802_decoy,GCR,Decoy,0,-9.06403,-8.6,0.11,-5.98150975823763
C[C@@H](Nc1ccc(Br)cc1)c1ccccc1O,C19923060_decoy,GCR,Decoy,0,-7.44142,-6.65,-0.81,-5.935326940658412
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-],C19991602_decoy,GCR,Decoy,0,-8.81087,-6.72,-3.93,-8.784512850598787
Cc1cc2nc(-c3ccc(N)cc3)oc2c(Br)c1C,C20156871_decoy,GCR,Decoy,0,-8.57085,3.92,-0.25,-1.177197989180425
Cc1ccsc1[C@H]1Nc2c(O)ccc(C)c2[C@H]2C=CC[C@H]21,C20687749_decoy,GCR,Decoy,0,-9.56917,-3.33,-1.0,-3.2435883371960306
Oc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@H]21,C20706663_decoy,GCR,Decoy,0,-8.1479,-5.7,-0.81,-3.858532480947258
Cc1ccc(C)c(NC(=S)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1,C20835320_decoy,GCR,Decoy,0,-9.14097,-8.25,-5.94,-11.248138068115404
Cc1c(N)cccc1OCc1ccc(Br)s1,C35283100_decoy,GCR,Decoy,0,-8.99075,-4.72,-2.07,-5.530493986853228
C[C@@H]1CCc2ccccc2N1c1ccc2scnc2c1N,C35344217_decoy,GCR,Decoy,0,-9.17296,-8.02,-0.37,-7.092341993121171
CCc1ccc([C@H](N)c2ccc(Br)s2)s1,C35380847_decoy,GCR,Decoy,0,-9.48327,-5.76,-2.46,-6.496614408799468
Cc1ccn2c(N)c(-c3ccc(Cl)c(Cl)c3)nc2c1,C36222089_decoy,GCR,Decoy,0,-8.1897,-2.21,-0.54,-2.6440699973974904
Cc1cc(N)cn2c(C)c(-c3ccc(Cl)c(Cl)c3)nc12,C36241657_decoy,GCR,Decoy,0,-8.26784,-3.84,-1.34,-2.9900689122250155
Nc1cccc(-c2nc(-c3ccc(F)c(Cl)c3)cs2)c1,C36912357_decoy,GCR,Decoy,0,-8.54631,-8.79,-0.93,-8.540681999367209
Nc1ccccc1SCCC12CC3CC(CC(C3)C1)C2,C37035318_decoy,GCR,Decoy,0,-8.46215,-7.4,-0.49,-9.934347106723688
CC(C)CCOc1c(N)cc(Cl)cc1Br,C37117063_decoy,GCR,Decoy,0,-8.02361,-5.42,-0.67,-5.770900044880324
Nc1cc2ccccc2cc1-c1nc2cc(F)ccc2s1,C37205139_decoy,GCR,Decoy,0,-8.76184,-4.61,,99.0
Cc1cc(Cl)c(C(C)C)cc1OCc1ccc(N)cc1,C37404574_decoy,GCR,Decoy,0,-8.3684,-7.92,-0.63,-8.039903232779132
Cc1ccc(N)c(-c2nc3cc(Br)ccc3n2C)c1,C37441318_decoy,GCR,Decoy,0,-8.27975,11.49,-0.88,1.0148912524238805
Nc1cc(-c2nc3cc(Cl)ccc3s2)c(F)cc1F,C37600235_decoy,GCR,Decoy,0,-9.33511,-8.03,-0.25,-8.206865299547344
Cc1ccc2oc(-c3ccc(Br)cc3N)nc2c1,C37746414_decoy,GCR,Decoy,0,-7.13796,-2.61,0.06,-2.2620130231468614
CN(C)c1ccc(C2Nc3cccc4cccc(c34)N2)cc1,C00066987_decoy,GCR,Decoy,0,-8.75756,-4.53,-1.14,-3.590136412657509
Cc1ccc(OCc2ccc(Br)s2)c(N)c1,C41045837_decoy,GCR,Decoy,0,-7.51875,-3.33,-2.34,-3.35728445178174
Nc1ccc(-c2ccc(Br)s2)c(Br)c1,C41049004_decoy,GCR,Decoy,0,-8.61728,-6.7,0.15,-6.149636497792972
C[NH2+][C@]1(c2nc3c(s2)CCC3)CCCC[C@@H]1C(C)(C)C,C41187689_decoy,GCR,Decoy,0,-7.81333,-2.17,,99.0
C=C[C@@](C)(O)C[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O,C12384490_decoy,GCR,Decoy,0,-9.21869,-2.75,-0.84,-3.713097716131312
C=C[C@@]1(O)C[C@H]2[C@@H]3C[C@@](O)(C=C)[C@@H]4[C@H]3C3C5[C@@H](CC[C@@H]54)[C@@H]1[C@H]32,C45071162_decoy,GCR,Decoy,0,-9.54324,-1.69,-0.87,-3.209339467990557
Cc1cc(C)cc(NC[C@@H](O)c2ccc3c(c2)CCCC3)c1,C49897485_decoy,GCR,Decoy,0,-8.89311,-8.64,-2.44,-7.021909296344852
CC(C)(C)C1CCN(c2ccc3scnc3c2N)CC1,C50346889_decoy,GCR,Decoy,0,-9.23718,-3.81,-0.41,-3.658954614399045
Nc1nc2cccc(Cl)c2n1[C@@H]1CCCc2ccccc21,C51633004_decoy,GCR,Decoy,0,-7.81059,-4.83,-0.21,-3.2675646799845866
CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1c(C)cccc1CC,C54601622_decoy,GCR,Decoy,0,-8.18276,-7.25,-2.66,-7.811970450920066
N/C(=N\c1ccccc1)SCc1ccc(Br)s1,C49394321_decoy,GCR,Decoy,0,-8.79746,-3.48,-1.32,-4.140286045278407
[H]/N=C1\S[C@H]2CCCCCCCCCCC2=C1C(=O)NC,C36986522_decoy,GCR,Decoy,0,-8.0557,-3.03,-0.76,-2.8346744245503506
Nc1nc(-c2ccccc2F)c(-c2ccccc2F)s1,C41658579_decoy,GCR,Decoy,0,-8.58485,-4.82,-0.58,-4.049619820063881
Nc1cc(F)c(F)cc1-c1nc2cc(Cl)ccc2s1,C61563857_decoy,GCR,Decoy,0,-9.81345,-1.62,-0.34,-2.5866486324639
CN(c1ccc(C(N)=S)c(Cl)c1)C1CCCCCC1,C61849382_decoy,GCR,Decoy,0,-9.26378,-6.71,-0.19,-7.88967803765061
C[C@H]1CCC[C@@H](N(C)c2ccc(C(N)=S)c(Cl)c2)C1,C61849563_decoy,GCR,Decoy,0,-9.80021,-7.81,-0.17,-7.184218431932988
NC(=S)c1ccc(Oc2ccc(F)c(F)c2)cc1Cl,C61850578_decoy,GCR,Decoy,0,-8.78194,-7.37,-1.13,-6.328688038510461
Cc1ccc(-c2nc3c(Cl)cc(Cl)c(N)c3o2)cc1,C62560747_decoy,GCR,Decoy,0,-8.86477,-3.02,-0.44,-2.923365289542978
Nc1cc2nc(-c3ccccc3F)oc2c(Cl)c1Cl,C62561378_decoy,GCR,Decoy,0,-8.36783,-3.59,-0.42,-3.197159624450614
CCc1ccc2nc(-c3ccc(N)c(Cl)c3)sc2c1,C62719981_decoy,GCR,Decoy,0,-8.66273,-3.52,0.15,-3.425247283173185
Nc1ccc(-c2csc(-c3ccc(Cl)cc3F)n2)cc1,C62786625_decoy,GCR,Decoy,0,-8.13354,-8.21,-1.03,-6.201206205990115
N/C(=N\c1c(Cl)cc(Cl)cc1Cl)C1CCCC1,C62988049_decoy,GCR,Decoy,0,-8.70283,-3.09,-4.47,-3.4110533968672363
Fc1ccc(NC(=S)NC2CCCCC2)c(F)c1F,C08692204_decoy,GCR,Decoy,0,-8.39177,-7.23,-0.33,-7.4287768027636
OC[C@@H]1CCC[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)C1,C04988756_decoy,GCR,Decoy,0,-10.1007,-9.82,-3.79,-12.040134145584314
C/[NH+]=C(/Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1,C05184598_decoy,GCR,Decoy,0,-9.64837,-8.14,-2.02,-7.170002280885625
CC(C)[NH+]1CCC(Nc2ccc(Br)cc2)CC1,C19922980_decoy,GCR,Decoy,0,-8.37115,-3.56,-0.16,-3.9812128267537146
c1cc2c(s1)CCN(C[C@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)C2,C20072184_decoy,GCR,Decoy,0,-8.79333,-3.08,-1.34,-3.6267556759273214
Clc1cc(Cl)c(N[C@@H]2C[NH+]3CCC2CC3)cc1Cl,C20440519_decoy,GCR,Decoy,0,-9.37269,-7.43,-3.3,-10.084098289118796
Clc1nc2ccccc2cc1C[NH2+]C1CCCCCCC1,C20967203_decoy,GCR,Decoy,0,-7.75293,-9.18,0.08,-14.202238767121653
C[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2,C21028208_decoy,GCR,Decoy,0,-8.60555,-7.48,-0.88,-11.24886079381339
c1ccc([C@H]2[NH2+]Cc3c(sc4c3CCC4)-n3cccc32)cc1,C32919309_decoy,GCR,Decoy,0,-9.62359,39.95,-4.06,9.628447996110078
CC1=C(C)/C(=C2/C=C3C=C(c4[nH]cc(C)c4C)CC[C@@H]3CC2)[NH+]=C1,C33404161_decoy,GCR,Decoy,0,-9.69691,-3.31,-1.31,-3.35952037443724
C[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)c1cc2c(s1)CCC2,C35504405_decoy,GCR,Decoy,0,-9.25802,-2.94,-0.39,-3.610821758693015
CCC[NH2+][C@@H]1CCCOc2c(Cl)cc(Cl)c(Cl)c21,C35653124_decoy,GCR,Decoy,0,-8.71765,-7.11,-1.11,-9.20806299505662
C[NH2+][C@@H]1c2c(Cl)c(Cl)cc(Cl)c2OC[C@@H]1C,C35753751_decoy,GCR,Decoy,0,-8.14076,-7.1,-1.26,-8.080397827877638
CCC[NH2+][C@H]1c2cc(Br)cc(Cl)c2OC[C@@H]1C,C35754180_decoy,GCR,Decoy,0,-8.24664,-6.24,-2.37,-7.59602393559439
CC(C)c1cc(Br)c2c(c1)CC[C@@]1(CC[NH2+]C1)O2,C36142005_decoy,GCR,Decoy,0,-8.89289,-4.51,-0.02,-3.305630485224467
CCc1cc(Br)cc2c1O[C@@]1(CC[NH2+]C1)CC2,C36142010_decoy,GCR,Decoy,0,-8.54424,-7.38,-2.49,-7.100077456496309
C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1ccc(Br)cc1,C36907846_decoy,GCR,Decoy,0,-8.16658,-7.09,-0.97,-8.601620424666455
C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1cc2ccccc2o1,C37070904_decoy,GCR,Decoy,0,-7.11782,-8.25,-1.62,-6.927719131324805
Cc1cc(Br)ccc1N[C@@H](C)[C@H]1CCC[NH+](C)C1,C37209206_decoy,GCR,Decoy,0,-8.70921,-7.61,-2.92,-9.58908298229795
C[C@H](N[C@H]1CC[NH+]2CCC[C@H]12)c1cc(F)c(Cl)cc1Cl,C37322158_decoy,GCR,Decoy,0,-8.72652,-7.79,0.0,-12.876106940639406
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2c(C)cc(C)nc2C)cc1,C37770491_decoy,GCR,Decoy,0,-7.72559,-7.23,-4.33,-6.931163966715908
CC[NH2+][C@@H](C)c1ccc(-c2ccc3c(c2)CCCO3)cc1,C38073840_decoy,GCR,Decoy,0,-8.52616,-2.98,-2.29,-3.662679019211368
CC(C)C[C@@H]1CO[C@@H](c2cc(F)c(Cl)cc2Cl)C[NH2+]1,C40797847_decoy,GCR,Decoy,0,-8.64235,-7.81,-0.05,-13.296209923350554
CC[NH2+][C@@]1(c2nc(C(C)(C)C)cs2)CCCC[C@H]1C,C41191353_decoy,GCR,Decoy,0,-8.41171,-7.25,-2.42,-7.729327430825132
CC[NH2+][C@@H](c1nc2c(s1)CCCC2)C1CCCCC1,C41192318_decoy,GCR,Decoy,0,-8.44963,-3.77,-1.82,-3.8007760511468
CC(C)[NH2+][C@]1(c2nc3c(s2)CCC3)CCCC[C@H]1C,C41197671_decoy,GCR,Decoy,0,-8.20861,-7.67,-2.28,-7.634969188034734
CC(C)[NH2+][C@]1(c2nc3c(s2)CCC3)CCC[C@H](C)C1,C41197684_decoy,GCR,Decoy,0,-8.56052,-7.21,-0.67,-9.28471282290982
CCc1nc([C@]2([NH2+]C3CC3)CCCC[C@H]2C)sc1C,C41199760_decoy,GCR,Decoy,0,-8.27505,-6.74,-1.32,-7.544740829674517
C1CCCC([NH2+]C2CC2)(c2nc3c(s2)CCC3)CCC1,C41201191_decoy,GCR,Decoy,0,-8.52259,-6.69,-0.77,-7.5575334391021425
C[NH2+][C@H](C)c1cc(F)ccc1N(C)C1CCC(C)CC1,C48970591_decoy,GCR,Decoy,0,-7.96029,-7.08,-0.56,-7.245672070532426
CC[NH2+][C@@H]1CCCc2nc(-c3c(C)cc(C)cc3C)sc21,C50330664_decoy,GCR,Decoy,0,-9.37649,-2.68,-5.12,-3.325995063888878
CCCNc1cc[nH+]c2ccc(I)cc12,C50843962_decoy,GCR,Decoy,0,-6.67808,-7.32,-0.6,-6.307120203445714
CCNc1cc(C)[nH+]c2c(C)cc(Br)cc12,C50868886_decoy,GCR,Decoy,0,-7.58425,-6.87,-1.89,-6.7744997594506975
CCn1c2ccccc2c2cc(C[NH2+][C@H]3C[C@@H]3C)ccc21,C52273241_decoy,GCR,Decoy,0,-8.71773,-2.27,-1.84,-3.2124144825848444
C1CCCC(NC2=[NH+]C3(CCCCC3)CS2)CCC1,C53097621_decoy,GCR,Decoy,0,-8.51519,-7.29,-2.13,-11.198933014360035
C[C@H]1[C@@H](NC2=[NH+]C3(CCCCC3)CS2)CCC[C@@H]1C,C53097673_decoy,GCR,Decoy,0,-8.62756,-7.02,-0.62,-9.723593801118446
CCC1CCC(NC2=[NH+]C3(CCCCC3)CS2)CC1,C53098008_decoy,GCR,Decoy,0,-9.06643,-6.85,-0.5,-7.612739190014365
C[C@H]1CCC[C@]2(CSC(NC3CCCCCCC3)=[NH+]2)C1,C53098999_decoy,GCR,Decoy,0,-8.8855,-2.1,-0.81,-3.1078451851745594
C[C@@H]1CCC[C@]2(CSC(NC3(C)CCCCC3)=[NH+]2)C1,C53101175_decoy,GCR,Decoy,0,-8.88214,-3.74,-1.0,-3.719643566827478
CC[C@H]1CC[C@H](O)[C@H](C[NH+]2CC[C@@H]3CCCC[C@@H]3C2)C1,C53884019_decoy,GCR,Decoy,0,-8.84628,-6.77,-1.1,-7.714623331587378
C[C@@H](NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl,C37256117_decoy,GCR,Decoy,0,-9.39155,-7.06,-0.87,-9.898451452639268
C[NH2+][C@H](C)c1cc(C)c(-c2cccc3ccc(C)nc23)s1,C61875237_decoy,GCR,Decoy,0,-9.25805,-8.27,-3.57,-8.082136242814432
Clc1cc(Cl)c(N[C@@H]2CC[NH+](C3CC3)C2)c(Cl)c1,C61980491_decoy,GCR,Decoy,0,-9.19483,-7.4,-0.52,-10.698251463418684
Cc1ccc(Br)cc1N[C@@H]1CC[NH+](C2CC2)C1,C61982219_decoy,GCR,Decoy,0,-8.26352,-7.31,-0.53,-9.981094523477378
C[NH2+][C@@H](c1ccc2c(c1)COC2)c1cc2c(s1)CCCC2,C62332659_decoy,GCR,Decoy,0,-9.61081,-7.96,-0.97,-7.200131888066169
CC[NH2+][C@H](c1ccc(C)c(C)c1)c1ccc2c(c1)COC2,C62333431_decoy,GCR,Decoy,0,-8.92514,-8.49,-0.54,-15.239765115202012
CCCN[C@H]1CCCC[C@H]1[NH+]1CCC2(CCCC2)CC1,C62953742_decoy,GCR,Decoy,0,-8.57185,-7.38,-0.93,-7.646584902423178
CC(C)[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCC3(CCCC3)CC2)C1,C62955780_decoy,GCR,Decoy,0,-8.8568,-1.34,-0.69,-2.7537601696169824
C[NH2+][C@@H](C)c1oc2c(C)cc(Br)cc2c1C,C63061496_decoy,GCR,Decoy,0,-8.02814,-6.62,-3.24,-6.764899315748622
ClC[C@H]1NC[C@H](c2ccccc2Cl)C2=c3ccccc3=[NH+][C@@H]21,C63245207_decoy,GCR,Decoy,0,-8.58147,-8.09,-5.0,-8.702033774834208
Cc1ccc2c(c1)=C1CCN[C@@H](c3ccc(F)cc3)[C@H]1[NH+]=2,C65042525_decoy,GCR,Decoy,0,-8.54886,-3.4,-1.27,-3.083572516990844
O=C(Nc1ccc(F)c(F)c1)c1cc2c(=O)n3ccccc3nc2s1,C01057116_decoy,GCR,Decoy,0,-9.21174,-2.37,-0.17,-3.566553489914353
Fc1ccc2[nH]c3c(N4CCN(c5ccc(Cl)cc5)CC4)ncnc3c2c1,C02342020_decoy,GCR,Decoy,0,-10.6483,-4.23,-4.17,-4.118104339269882
Cc1cccc(N2CCN(C(=O)/C=C3\Sc4ccccc4NC3=O)CC2)c1C,C04901452_decoy,GCR,Decoy,0,-11.332,-3.45,-1.15,-4.123990244428564
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)c1,C05061557_decoy,GCR,Decoy,0,-9.69493,-3.49,-1.9,-4.715407159470247
Cc1cc(C(=O)Nc2c(C)cc(Br)cc2C)ccc1[N+](=O)[O-],C02982300_decoy,GCR,Decoy,0,-8.29367,-2.63,-3.22,-3.448527830005882
Cc1sc2ncnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)c2c1C,C05902441_decoy,GCR,Decoy,0,-9.39435,-3.88,-1.79,-3.975495813775624
O=S(=O)(Nc1cccc2nsnc12)c1cc(Cl)sc1Cl,C01038779_decoy,GCR,Decoy,0,-9.50017,-7.73,-1.44,-8.125876045517868
Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1Br,C02782121_decoy,GCR,Decoy,0,-10.3699,-3.68,-5.92,-4.265355533120375
CCOc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)ccc1O,C07699791_decoy,GCR,Decoy,0,-10.4323,-6.31,-0.8,-6.795030251804818
N#Cc1c(NC(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)sc2c1CCCC2,C08020877_decoy,GCR,Decoy,0,-10.7331,-4.43,,99.0
O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnc(Cl)c(Cl)c1,C11003370_decoy,GCR,Decoy,0,-10.0533,-8.51,-0.96,-8.184700357436423
O=C(CN1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl,C13855814_decoy,GCR,Decoy,0,-9.06344,-5.9,-0.46,-5.175124695591509
Cc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)c(F)c1,C15515308_decoy,GCR,Decoy,0,-9.41427,-3.41,-0.7,-4.011406321770574
Cc1c(C(=O)NC2CCC(C)CC2)sc2nc3n(c(=O)c12)CCCCC3,C15675264_decoy,GCR,Decoy,0,-10.0146,-3.65,-0.25,-4.258216314995556
C[C@@H]1CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2NC1=O,C15730717_decoy,GCR,Decoy,0,-10.4431,-3.56,-1.01,-4.478863861019319
Cc1cccc([C@@H]2C[C@H](c3ccc(Br)s3)Nc3nnnn32)c1,C15866435_decoy,GCR,Decoy,0,-7.25817,-6.71,-3.64,-6.060448992294488
CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc4c(cc32)OCO4)cc1,C18196809_decoy,GCR,Decoy,0,-9.35137,-4.09,-1.57,-3.919517486220796
C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccccc1Cl,C19959822_decoy,GCR,Decoy,0,-8.44386,-5.74,-2.01,-4.214433949290291
CNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1,C20766265_decoy,GCR,Decoy,0,-8.41723,0.8,-2.34,-3.003574050658399
CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](C)CC1=O)N2,C22608285_decoy,GCR,Decoy,0,-9.1216,-3.31,-2.52,-3.6365174359116015
Cc1nc2sc([C@H](c3ccccc3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1,C23156790_decoy,GCR,Decoy,0,-7.55928,-3.34,-3.06,-3.3619246095318376
Cc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCC[C@@H](C)C2)cc1,C23156842_decoy,GCR,Decoy,0,-7.72394,-5.15,-1.44,-3.632523071851904
O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1ccc(F)c(Cl)c1,C31835641_decoy,GCR,Decoy,0,-9.13425,-9.13,-1.51,-8.035970396058188
C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc2c(c1)OCO2,C32889259_decoy,GCR,Decoy,0,-9.22153,-3.13,-0.82,-3.9221579864702303
[H]/N=C1/[C@@H](C#N)C2=CCN(C(C)C)C[C@@H]2[C@H](c2ccc(C)cc2)C1(C#N)C#N,C04102687_decoy,GCR,Decoy,0,-9.279,-3.06,-1.57,-3.466409161516674
O=C(Nc1c(Cl)cc(Cl)c2nsnc12)c1ccc(Cl)nc1,C38104364_decoy,GCR,Decoy,0,-9.38547,28.44,-3.38,6.923556886520728
O=C(Nc1cccs1)N1CCN(c2nc3ccc(F)cc3s2)CC1,C38934671_decoy,GCR,Decoy,0,-9.90074,-2.24,-7.09,-3.60757205851211
O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1F,C42265930_decoy,GCR,Decoy,0,-7.6398,-4.16,-0.45,-3.755510349143663
CC(=O)c1ccc(N2CCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1,C43150210_decoy,GCR,Decoy,0,-9.00379,13.36,-1.47,0.6296041184761129
Cc1ccc(C(=O)N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1,C43356805_decoy,GCR,Decoy,0,-8.71511,-3.78,-2.47,-4.206540475321615
O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCc2sccc2C1,C43398385_decoy,GCR,Decoy,0,-10.362,-1.93,-3.91,-3.674396085038681
O=C(Nc1cc(Cl)ccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2,C43528124_decoy,GCR,Decoy,0,-9.74956,-2.5,-1.47,-4.018541242605418
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Br)c(F)c1,C43579147_decoy,GCR,Decoy,0,-7.89809,-8.47,-0.61,-6.872561321104373
C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@H]1CCCN(C(=O)NC2CC2)C1,C44458360_decoy,GCR,Decoy,0,-8.00782,-3.75,-3.62,-3.708087413702839
O=C([C@@H]1CCCC[C@H]1C(=O)N1CCc2c([nH]c3ccccc23)C1)N1CCCCC1,C44974723_decoy,GCR,Decoy,0,-7.65748,-5.63,-1.59,-4.176007959275279
O=c1[nH]c(Cc2cccc3cccnc23)nc2scc(-c3ccco3)c12,C55503551_decoy,GCR,Decoy,0,-9.96425,-10.01,-4.91,-10.457054136951989
Cc1cc(C(=O)N2CCCc3cc(F)c(F)cc32)ccc1N1CCNC1=O,C56018891_decoy,GCR,Decoy,0,-9.03907,-11.33,-4.7,-10.98857277089154
O=C(NCc1cn2cc(Br)ccc2n1)N1CCc2ccccc21,C56539638_decoy,GCR,Decoy,0,-8.96626,-5.21,-0.84,-4.644888041227869
Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1,C56541685_decoy,GCR,Decoy,0,-9.85374,-2.56,-1.74,-3.774764838012812
CN1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)NC1CCCCC1)C[C@H]1CCCN12,C57992696_decoy,GCR,Decoy,0,-9.74765,-4.4,-1.99,-4.218105800127464
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCc2sccc2C1,C22391654_decoy,GCR,Decoy,0,-10.3429,-8.14,-1.67,-12.68251469061335
CN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccccc1F,C60343022_decoy,GCR,Decoy,0,-5.73222,-3.78,-3.62,-2.914026896318812
O=C1CCCC2=C1[C@H](c1ccccc1F)[C@H]1C(=O)N(c3ccccc3)N=C1N2,C08381726_decoy,GCR,Decoy,0,-9.76362,-1.72,-1.32,-3.2581753880452915
CC1=C2[C@H](N=N1)N=C(O)CS[C@H]2c1ccc(-c2cccc(Cl)c2)o1,C63795295_decoy,GCR,Decoy,0,-11.0494,-4.41,-2.2,-4.537762175975787
CC1=C2[C@H](N=N1)N=C(O)CS[C@@H]2c1ccc(-c2cccc(Cl)c2)o1,C63795296_decoy,GCR,Decoy,0,-10.2341,-5.52,-4.78,-3.067665151864969
CN1CCc2[nH]/c(=N/S(=O)(=O)/C=C/c3ccccc3Cl)sc2C1,C66248219_decoy,GCR,Decoy,0,-10.5918,-3.11,-2.63,-4.123642661059578
O=C(c1cc2c(F)cccc2[nH]1)N1CCC[C@@H]1c1cccc2c1OCCO2,C66770796_decoy,GCR,Decoy,0,-8.72772,-2.4,-2.41,-3.1361257181701383
O=C(NCC#Cc1ccccc1)N1CCC[C@@H]1c1cccc2c1OCCO2,C67042624_decoy,GCR,Decoy,0,-9.12077,-4.09,-1.99,-4.17327556525028
O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@@H]1c1cccc2c1OCCO2,C67250924_decoy,GCR,Decoy,0,-8.6299,-8.52,-1.13,-8.478962732944181
CC[C@@H]1CCCCN1C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1,C67422260_decoy,GCR,Decoy,0,-8.39682,-3.47,-3.56,-3.792646445112685
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)nc1,C04249082_decoy,GCR,Decoy,0,-10.4501,43.1,-0.58,11.665104117903686
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1COc2ccccc2O1,C01226324_decoy,GCR,Decoy,0,-8.8518,-4.96,-0.83,-4.255544567121088
Cc1sc2nc(SCC(=O)N3CCC[C@H](C)C3)[nH]c(=O)c2c1C,C01368211_decoy,GCR,Decoy,0,-10.0199,-7.7,-2.98,-8.093822233205827
CCc1cc2c(=O)n(NC(=O)c3ccc4ccccc4c3)cnc2s1,C05392519_decoy,GCR,Decoy,0,-9.70971,-4.78,-0.5,-5.008142030534915
Cc1sc2nc(SCC(=O)N3CCCCCC3)[nH]c(=O)c2c1C,C05237747_decoy,GCR,Decoy,0,-8.84808,-7.77,-0.82,-6.925707465697945
Cc1ccccc1C(=O)/C=c1\[nH]c(=O)/c(=C\c2ccc3c(c2)OCO3)s1,C06790760_decoy,GCR,Decoy,0,-9.41172,-9.89,-1.59,-12.077944125510273
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(F)c1,C01229845_decoy,GCR,Decoy,0,-8.48222,-6.27,-6.11,-5.552265883836793
Cc1n[nH]c(-c2ccc(S(=O)(=O)N3CCc4ccccc43)s2)c1C,C09686687_decoy,GCR,Decoy,0,-8.82476,-5.6,-1.6,-4.427191628876369
O=C(CSC1=Nc2cccnc2Nc2ccccc21)N1CCCCC1,C09854319_decoy,GCR,Decoy,0,-8.6014,-8.44,-1.4,-8.272147302194194
C[C@H]1CCc2sc(C(=O)NC3CCN(C(=O)c4ccco4)CC3)cc2C1,C11555615_decoy,GCR,Decoy,0,-10.8635,11.41,-3.03,0.2347756485211596
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1,C12146327_decoy,GCR,Decoy,0,-9.1769,-4.2,-2.75,-4.196782963424567
O=C(c1csc(-c2ccccc2)n1)N1CCN(c2ccccc2O)CC1,C12523495_decoy,GCR,Decoy,0,-9.59332,-4.57,-1.6,-4.332356201805286
O=C(N/N=C1\C[C@@H]2CC=C[C@H]12)c1cc(-c2ccccn2)nc2ccccc12,C06346989_decoy,GCR,Decoy,0,-9.14904,-3.77,-1.42,-3.802798834727011
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\C=C\c1ccccc1,C16309482_decoy,GCR,Decoy,0,-10.4509,-3.88,-0.94,-4.24555465844524
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(Cl)cc(Cl)c1,C19677774_decoy,GCR,Decoy,0,-8.94041,-8.55,-3.57,-12.999089134065445
C[C@H]1C[C@H](C)C[NH+](Cc2c([O-])ccc3c2O/C(=C\c2cccnc2)C3=O)C1,C20518060_decoy,GCR,Decoy,0,-9.03195,-3.71,-4.19,-3.926010283340415
O=C1CCc2cc(OS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2N1,C22413813_decoy,GCR,Decoy,0,-8.90895,-9.42,-2.12,-8.398340441588386
Cc1nc2sc([C@@H](c3sccc3C)[NH+]3CCC(C)CC3)c([O-])n2n1,C23748936_decoy,GCR,Decoy,0,-8.22102,-3.87,-2.33,-3.720275533699
O=C(Nc1ccccc1-n1cncn1)c1cc2c(s1)CCCCCC2,C25003180_decoy,GCR,Decoy,0,-8.68703,-8.88,-0.87,-10.724159255626969
O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1c(F)cccc1F,C31836174_decoy,GCR,Decoy,0,-8.70885,-7.93,-3.55,-8.941695870546328
CC1CCC(NC(=O)c2cn(-c3cccc(Br)c3)nn2)CC1,C31877626_decoy,GCR,Decoy,0,-8.5411,-3.95,-0.52,-3.8787163345412647
O=C(Nc1ccccc1Cl)c1nc(N2CCCC2)c2ccccc2n1,C35196669_decoy,GCR,Decoy,0,-8.64848,-2.3,-4.67,-3.258782449386515
COc1ccc(S(=O)(=O)/N=c2/[nH]c(C)cs2)cc1Br,C37383513_decoy,GCR,Decoy,0,-8.34989,-7.41,-0.98,-7.5071037570963055
Cc1cccc2nc(CSc3nc4ccc(Cl)cc4[nH]3)cc(=O)n12,C32842165_decoy,GCR,Decoy,0,-10.6123,-8.84,-2.89,-7.481820017662323
CC1(C)CC2=C3C(=O)N=C(N/N=C/c4ccccc4)N=C3S[C@@H]2CS1,C39143126_decoy,GCR,Decoy,0,-10.6099,-8.83,-2.03,-10.954265391432832
CSc1cccc(NC(=O)c2cc(C)nc3c2nc2n3CCCCC2)c1,C39553595_decoy,GCR,Decoy,0,-10.0834,-3.95,-3.47,-4.140989476186004
CC1(C)C[C@H]2C[C@](C)(CN2C(=S)NC2=C[C@H]3C(=O)N=CN=C3C=C2)C1,C39939066_decoy,GCR,Decoy,0,-10.7127,-9.59,-0.45,-13.592862421058138
CCC(=O)N1CCc2cc(C(=O)Nc3nc4c(s3)CCCCC4)ccc21,C40144352_decoy,GCR,Decoy,0,-9.13164,-2.98,-0.79,-3.795028849339056
O=C(NC1CCCCC1)c1cc(N2CCCCS2(=O)=O)ccc1Cl,C40640189_decoy,GCR,Decoy,0,-9.93212,-3.74,-1.2,-4.388751802190448
O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncnc3ccccc23)C1,C41505719_decoy,GCR,Decoy,0,-8.186,-9.14,-5.42,-8.183976579393619
O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1c1ncnc2ccccc12,C41506124_decoy,GCR,Decoy,0,-8.7419,-4.33,-0.29,-4.14529781248993
CCc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1,C43349979_decoy,GCR,Decoy,0,-9.10431,-2.85,-3.2,-3.8410825774438586
O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(Br)c(F)c1,C43579607_decoy,GCR,Decoy,0,-6.31954,-4.05,-1.01,-3.2634577475581663
C[C@@H]1CCC[C@H](C)C12NC(=O)N(Cc1csc(C(C)(C)C)n1)C2=O,C47354814_decoy,GCR,Decoy,0,-8.99602,-3.03,-2.16,-3.799287278003707
O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)s1,C20718143_decoy,GCR,Decoy,0,-9.28049,-9.87,-1.68,-12.276771830083243
Cc1ccc2nc(CN3CCC(C(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)[nH]c2c1,C44443352_decoy,GCR,Decoy,0,-9.95027,-4.22,-1.09,-4.462000026915599
C[C@@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2,C54071753_decoy,GCR,Decoy,0,-9.20045,-2.66,-5.67,-3.6595966006409446
O=c1[nH]c(CCC2CCCCC2)nc2sc3c(c12)CCS(=O)(=O)C3,C54753590_decoy,GCR,Decoy,0,-10.7202,-4.02,-0.3,-4.291013746589932
O=C(Nc1ccccc1-n1cccn1)N1CCC[C@@H]1c1cccc(F)c1,C56615849_decoy,GCR,Decoy,0,-7.83385,-9.08,-2.15,-8.502424530074808
C[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc2c(c1)OCCO2,C51527499_decoy,GCR,Decoy,0,-9.51816,-8.81,-0.61,-8.184949391451136
O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)C2CCCCC2)C1,C47241867_decoy,GCR,Decoy,0,-9.14293,-4.95,-1.23,-7.078098055888398
O=C(Nc1nc2cc(F)c(F)cc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1,C58365968_decoy,GCR,Decoy,0,-9.27442,-4.46,-0.9,-4.101340427944265
Cc1cccc2c(=O)[nH]c(CSc3ccc4c(c3)OCCCO4)nc12,C08482710_decoy,GCR,Decoy,0,-9.22694,-8.45,-6.17,-8.334075256247342
OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2cccnc2)s1,C20726238_decoy,GCR,Decoy,0,-10.2841,-8.64,-3.38,-7.935966025528127
CC(C)NC(=O)c1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C,C65241414_decoy,GCR,Decoy,0,-8.69356,-2.45,-0.69,-3.603141810551176
O=C(Nc1ccc2ccccc2n1)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O,C65781360_decoy,GCR,Decoy,0,-9.54507,-5.4,-4.34,-4.514673909009227
N#C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1cccc(Cl)c1Cl,C66394458_decoy,GCR,Decoy,0,-9.62959,-7.64,-1.51,-8.245836346117752
C[C@@H](NC(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1)[C@H]1CCCO1,C67044374_decoy,GCR,Decoy,0,-9.05337,-9.21,-0.7,-13.393174466399856
O=C(Nc1ccccc1N1CCCC1)N1CCO[C@@H](c2ccccc2F)C1,C67254046_decoy,GCR,Decoy,0,-9.07719,-4.0,-3.17,-4.017026791007976
O=C(Nc1cccnc1)N1CCN(Cc2cccc(Cl)c2Cl)CC1,C67427501_decoy,GCR,Decoy,0,-9.32405,-3.88,-1.97,-4.613738993890572
CC(C)CC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl,C03124803_decoy,GCR,Decoy,0,-11.6744,-7.74,-3.14,-6.182330125288765
O=C(CCl)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl,C03130836_decoy,GCR,Decoy,0,-11.9265,-7.23,-0.88,-15.606366092303482
O=C(N[C@@H](NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccco1,C03137325_decoy,GCR,Decoy,0,-10.779,-8.26,-1.46,-9.020353654066977
O=C(Nc1cccc2ccccc12)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2,C04063205_decoy,GCR,Decoy,0,-9.62125,-9.6,-4.17,-12.895856631594976
C[C@@H](NC(=O)CSc1nnc(C2CCCCC2)n1N)c1ccc(Br)cc1,C08984115_decoy,GCR,Decoy,0,-10.3672,-9.2,-1.9,-15.587084503748288
C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CC(=O)NCCc1ccc(Cl)cc1Cl,C08780325_decoy,GCR,Decoy,0,-10.7925,-8.75,-1.71,-9.146131593123377
O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NNC(=O)c1ccccc1,C09633803_decoy,GCR,Decoy,0,-11.1263,-6.47,-5.05,-8.221466333811334
CCc1c(C)sc(NC(=O)COc2ccc(Br)cc2Br)c1C(N)=O,C10149149_decoy,GCR,Decoy,0,-10.9536,-5.56,-2.92,-9.631614085653167
O=C(COc1ccc(Br)cc1Br)NC(=S)Nc1ccc(O)cc1,C12498454_decoy,GCR,Decoy,0,-11.0249,-7.98,-2.59,-8.901258772100114
O=C(COc1ccc(Br)cc1Br)NC(=S)Nc1ccccc1O,C12498527_decoy,GCR,Decoy,0,-9.94194,-7.97,-1.44,-8.701961833383585
O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1ccccc1Br,C12500933_decoy,GCR,Decoy,0,-9.33051,-7.9,-3.07,-10.331791439196047
O=C(NCCCO)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1Br,C12659345_decoy,GCR,Decoy,0,-10.6385,-5.07,-3.92,-9.561361217215351
COCCCNC(=O)c1cccc2c1N[C@@H](c1cc(Br)ccc1O)[C@H]1CC=C[C@H]21,C14461207_decoy,GCR,Decoy,0,-10.5833,-2.76,-2.1,-4.246466755961632
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC(C)C)cc2)cc1I,C14554607_decoy,GCR,Decoy,0,-10.3312,-7.74,-4.45,-7.713758193929031
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccccc1Br,C14834032_decoy,GCR,Decoy,0,-9.94294,-5.79,-2.94,-6.346185307817028
CC[C@@H](C)NC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2I)cc1,C14837973_decoy,GCR,Decoy,0,-11.2709,-8.9,-1.47,-18.032793900791305
CC[C@@H](C)NC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1,C14838021_decoy,GCR,Decoy,0,-11.3543,-5.99,-3.46,-6.506302809144183
NC(=O)CSc1ccccc1NCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1,C15360104_decoy,GCR,Decoy,0,-12.0665,-4.19,-2.09,-5.440848726212377
CCCCC(=O)N[C@H](NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl,C15777231_decoy,GCR,Decoy,0,-10.5279,-7.54,-1.27,-14.329518727333946
CC(C)c1ccc(NC(=S)NNC(=O)c2cc(Br)c(Br)s2)cc1,C15885627_decoy,GCR,Decoy,0,-11.71,-5.5,-2.89,-5.962192806149838
O=C(NCCO)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1I,C02827982_decoy,GCR,Decoy,0,-9.76024,-2.88,-1.05,-4.597773079534676
CCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl,C19800009_decoy,GCR,Decoy,0,-11.5035,-6.73,-2.53,-10.059555792052882
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21,C20683601_decoy,GCR,Decoy,0,-9.96137,-6.89,-3.42,-8.864970558325513
[NH3+][C@H](CC(=O)[O-])[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)c(F)c(F)c(F)c1F,C21301858_decoy,GCR,Decoy,0,-9.62386,-1.93,-0.67,-3.891621943289663
[NH3+][C@H](CC(=O)[O-])[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1c(F)c(F)c(F)c(F)c1F,C21301864_decoy,GCR,Decoy,0,-9.16655,-2.88,-2.52,-4.283553656736913
Cc1cc(CNC(=O)CSc2nnc(-c3ccccc3Br)n2N)ccc1F,C22056477_decoy,GCR,Decoy,0,-10.141,-6.27,-2.25,-6.314345825929805
COc1ccc(C(N)=O)c(OCC(=O)Nc2c(Br)cc(C)cc2Br)c1,C23659030_decoy,GCR,Decoy,0,-10.7989,-8.42,-1.15,-9.972792954423976
O=C(CCl)N[C@@H](NC(=S)Nc1ccccc1Br)C(Cl)(Cl)Cl,C25758162_decoy,GCR,Decoy,0,-10.0024,-7.05,-2.98,-9.141492940735604
Cc1cc(Br)c(NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl)c(Br)c1,C26571451_decoy,GCR,Decoy,0,-11.1047,-6.78,-3.68,-9.811119367520924
Cc1cc(Br)cc(Br)c1NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl,C26571495_decoy,GCR,Decoy,0,-11.0774,-6.77,-1.7,-5.828848044959357
Cc1cccc(NC(=S)N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)c1,C27024667_decoy,GCR,Decoy,0,-10.5134,-8.37,-3.96,-9.125100546040663
CCCCc1nnc(SCC(=O)Nc2ccc(I)cc2C)n1N,C28396207_decoy,GCR,Decoy,0,-10.4399,-4.38,-0.83,-5.605048174617203
O=C(/C=C\c1ccccc1)N[C@H](NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl,C35132399_decoy,GCR,Decoy,0,-11.4522,-7.75,-5.0,-9.1323163206797
Oc1ccccc1NC[C@@H](c1ccc(-c2ccccc2)cc1)N1CCN[C@H](Br)C1,C39533801_decoy,GCR,Decoy,0,-10.5985,-9.74,-2.28,-10.607328498459855
CO[C@H]1CN([C@@H](CNI)c2ccc(-c3ccccc3O)cc2)CCN1,C39533998_decoy,GCR,Decoy,0,-10.7569,5.09,-0.92,-1.909254648692943
CCO[C@@H]1CN([C@@H](CNI)c2ccc(-c3ccccc3O)cc2)CCN1,C39534165_decoy,GCR,Decoy,0,-10.4786,-3.41,-1.96,-4.952570821659804
O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1,C03142320_decoy,GCR,Decoy,0,-9.06004,-7.53,-2.08,-11.119689002357426
C=CCNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C39971164_decoy,GCR,Decoy,0,-9.97938,-8.98,-2.93,-8.558964179483878
CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(Br)c1,C40943065_decoy,GCR,Decoy,0,-11.0367,-5.91,-4.0,-7.154173615668967
CCC(CC)N(CCO)S(=O)(=O)c1c(N)cc(Br)cc1Br,C42483817_decoy,GCR,Decoy,0,-9.4046,-6.47,-1.36,-10.911718272037264
N/C(CCCCOc1c(Br)cc(Br)cc1Br)=N/O,C49580468_decoy,GCR,Decoy,0,-10.3789,-7.53,-0.61,-13.880380216260804
O=C(CNC(=O)c1cccc(Br)c1)Nc1cccc(NC(=O)c2cccs2)c1,C24031040_decoy,GCR,Decoy,0,-11.408,-10.15,-6.54,-10.277967774901803
O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cc(Cl)cc(I)c1O,C58887755_decoy,GCR,Decoy,0,-8.9087,-8.54,-1.99,-8.530932586421683
C[C@@]1(c2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)NC(=O)NC1=O,C59017718_decoy,GCR,Decoy,0,-10.6737,-9.48,-7.52,-10.441508650700822
C[C@]1(c2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)NC(=O)NC1=O,C59017719_decoy,GCR,Decoy,0,-10.5412,-5.5,-3.36,-5.313538273273866
NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)C(F)(F)Br)cc2)cc1,C59057339_decoy,GCR,Decoy,0,-10.8806,-4.16,-1.88,-5.84363688019329
CN(NC(=S)Nc1ccc(Br)cc1)C(=S)Nc1ccc(Br)cc1,C59112710_decoy,GCR,Decoy,0,-10.6925,-7.6,-0.44,-9.216560097703548
NC(=O)COc1ccc(NC(=O)c2csc(-c3cc(Br)cs3)n2)cc1,C59884889_decoy,GCR,Decoy,0,-11.5763,-9.15,-1.68,-16.72510370782881
Nc1ccc(OCCNS(=O)(=O)c2cc(Br)sc2Br)cc1,C63130569_decoy,GCR,Decoy,0,-9.30001,-7.6,-1.72,-7.972250357245693
CC(C)CC(=O)Nc1ccc(NC(=S)NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1,C66199954_decoy,GCR,Decoy,0,-10.6391,-7.67,-2.14,-7.545306878913925
CCC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2,C04650987_decoy,GCR,Decoy,0,-9.11299,-3.81,-2.67,-4.591027472276653
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)ccc1Br,C05134906_decoy,GCR,Decoy,0,-9.71283,-8.83,-2.58,-9.60423704606133
O=C([O-])c1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1O,C08828322_decoy,GCR,Decoy,0,-11.4189,-9.71,-4.58,-9.492366767075849
O=C([O-])c1cc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)ccc1O,C08828324_decoy,GCR,Decoy,0,-10.7064,-9.32,-2.6,-13.210602438989731
O=C([O-])/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1,C02344716_decoy,GCR,Decoy,0,-8.07833,-4.47,-2.47,-4.471899687242382
Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)oc2ccc(Br)cc12,C13167865_decoy,GCR,Decoy,0,-10.4292,16.39,-1.68,2.9059645553840627
Cc1ccc(S[C@@H](C)C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1,C13171779_decoy,GCR,Decoy,0,-8.78853,-3.7,-3.73,-4.022102957432567
O=C([O-])C[C@@H](NC(=O)CSc1c(Cl)cccc1Cl)c1ccc(Cl)cc1,C13174968_decoy,GCR,Decoy,0,-9.54708,-8.3,-2.07,-9.18135148270184
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)Nc1ccccc1C(=O)[O-],C13187049_decoy,GCR,Decoy,0,-9.00104,-4.81,-1.57,-4.871307047615872
O=C(/C=C/c1ccc(C(=O)[O-])cc1)Nc1ccc2oc3ccccc3c2c1,C13253708_decoy,GCR,Decoy,0,-9.04717,-4.85,,99.0
O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1,C13267998_decoy,GCR,Decoy,0,-8.80589,-5.98,-1.86,-7.251268023694066
O=C([O-])c1cc(S(=O)(=O)N[C@H]2CC[C@H]3CCCC[C@@H]3C2)c(Cl)cc1Cl,C13315613_decoy,GCR,Decoy,0,-11.0416,-5.49,-2.31,-5.4079783929359255
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl,C13343512_decoy,GCR,Decoy,0,-9.85312,-3.35,-0.65,-4.225517341365423
O=C([O-])C[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cccs1,C13388521_decoy,GCR,Decoy,0,-9.86028,-7.86,-1.83,-7.471767375018738
Cc1ccc(/C=C/C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(Br)c1,C13388621_decoy,GCR,Decoy,0,-9.72015,-7.88,-4.26,-11.843055687121836
Cc1cc(Br)ccc1SCC(=O)N[C@H](CC(=O)[O-])c1cccs1,C13389745_decoy,GCR,Decoy,0,-11.0332,-7.86,-3.55,-8.645479219237773
Cc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C(=O)[O-])s1,C13438124_decoy,GCR,Decoy,0,-9.59764,-4.26,-0.95,-3.857580766216548
O=C(Nc1c(Br)cc(F)cc1Br)[C@H]1CC=CC[C@H]1C(=O)[O-],C13469729_decoy,GCR,Decoy,0,-9.04449,-3.37,-0.47,-3.922906975086532
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1c(Br)cc(F)cc1Br,C13469730_decoy,GCR,Decoy,0,-8.7904,-4.67,-0.54,-4.558715267644378
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1,C13857381_decoy,GCR,Decoy,0,-9.63139,-4.84,-0.71,-2.014253371203552
O=C(Nc1sc2c(c1C(=O)[O-])CCC2)c1ccc(I)cc1,C08387402_decoy,GCR,Decoy,0,-8.83934,7.07,-0.7,-0.6432039940579977
Cc1cc(NC(=O)c2cc(Br)ccc2F)sc1C(=O)[O-],C19999998_decoy,GCR,Decoy,0,-8.72062,-1.09,-2.13,-2.800278827716737
O=C([O-])c1cc(-c2cccs2)nc2n[nH]c(-c3ccc(Br)cc3)c12,C20492155_decoy,GCR,Decoy,0,-10.1832,-9.43,-3.73,-9.421682250812715
[O-]c1nc(/C=C/c2cn[nH]c2-c2ccc(Cl)cc2)cc(C(F)(F)F)n1,C04171604_decoy,GCR,Decoy,0,-8.31948,-5.99,-0.85,-5.5071064372816645
[O-]c1cc(/C=N/c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc(=S)[nH]1,C16932453_decoy,GCR,Decoy,0,-11.2175,31.46,-1.99,9.828094280185134
O=C([O-])c1cc(Nc2ccc(I)cc2)nc2ccccc12,C36928340_decoy,GCR,Decoy,0,-9.38109,-3.51,-1.14,-3.873172721807205
O=C(Nc1ccc(F)c(C(=O)[O-])c1)c1cc(Br)c(Br)s1,C37402403_decoy,GCR,Decoy,0,-9.45451,-1.6,-4.27,-3.141361625456732
O=C([O-])[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2Br)[C@@H]2C=C[C@H]1C2,C37500787_decoy,GCR,Decoy,0,-8.99943,15.09,-0.73,2.1994668895174336
Cn1cc(Br)cc1C(=O)Nc1cc(Br)ccc1C(=O)[O-],C37742372_decoy,GCR,Decoy,0,-8.02557,-4.39,-2.16,-3.9878254446579855
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C#N)C1,C04155221_decoy,GCR,Decoy,0,-10.5607,-2.74,-4.51,-4.185886777117381
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1I,C38058868_decoy,GCR,Decoy,0,-9.59884,-2.77,-1.85,-3.8653129533566335
N#CC(=C\c1ccc(O)c(Br)c1)/C([O-])=N/c1nc2ccccc2s1,C41120763_decoy,GCR,Decoy,0,-10.162,-4.19,-1.15,-4.453687007793788
C[C@@H](Sc1nc([O-])c2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F,C41630521_decoy,GCR,Decoy,0,-10.6637,-3.73,-1.84,-4.408387447619207
C[C@](Nc1ccc(Br)cc1F)(C(=O)[O-])c1ccc(Br)cc1,C41753357_decoy,GCR,Decoy,0,-8.9535,-7.5,-0.6,-8.416856749179642
Cc1cc(Br)c(NC(=O)N(C)C[C@H](C)C(=O)[O-])c(Br)c1,C42708404_decoy,GCR,Decoy,0,-8.69002,-6.44,-6.13,-9.219673894758238
Cc1cc(C)c(C)c(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1C,C13319726_decoy,GCR,Decoy,0,-10.1704,-7.42,-1.81,-9.1818154716037
COc1ccc(Br)cc1Nc1ccc(Cl)c(C(=O)[O-])n1,C49570644_decoy,GCR,Decoy,0,-8.04623,-4.66,-1.43,-3.9341197199324416
CC(C)C[C@H](C)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-],C50208968_decoy,GCR,Decoy,0,-7.67592,-6.98,-1.67,-8.05639080145232
Cc1cc(SC/C([O-])=C(\C#N)C(=O)NC(C)C)c(C)cc1Br,C50982363_decoy,GCR,Decoy,0,-9.82959,-7.22,,99.0
CC(C)N/C([O-])=C(\C#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1,C51006512_decoy,GCR,Decoy,0,-10.1293,-7.98,-0.77,-6.988770792908842
N#C/C(C(=O)NC1CCCC1)=C(\[O-])c1ccc(-c2ccc(F)cc2)s1,C51651634_decoy,GCR,Decoy,0,-9.95668,-7.51,-4.19,-9.19773685039987
COC(=O)/C([O-])=C1/C(c2ccc(C)cc2)=NC(=S)N[C@@H]1c1ccc(C)s1,C52538585_decoy,GCR,Decoy,0,-10.5842,-3.05,-2.18,-7.997688427064527
Cc1ccc(-c2nnc([S-])n2CC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1,C55739147_decoy,GCR,Decoy,0,-9.33824,-4.32,-2.25,-4.581980217186182
CCc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2[O-])o1,C58833556_decoy,GCR,Decoy,0,-10.6043,-8.62,-1.33,-8.40807914873031
O=C1N=C([O-])/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N1,C33436389_decoy,GCR,Decoy,0,-10.3248,-9.43,-0.51,-8.58735561811984
O=C(Nc1c(Br)cccc1C(=O)[O-])c1cc2c(s1)CCC2,C62826313_decoy,GCR,Decoy,0,-7.83182,-4.08,-2.32,-4.10264702097007
O=C1C[C@@H](c2cccs2)c2sc(C(=O)[O-])c(-c3ccc(Cl)cc3)c2N1,C64795785_decoy,GCR,Decoy,0,-10.7116,-3.43,-7.03,-4.294550279363941
O=C1C[C@@H](c2c(F)cccc2F)c2sc(C(=O)[O-])c(-c3ccc(Cl)cc3)c2N1,C64795840_decoy,GCR,Decoy,0,-10.8437,-2.38,-2.18,-4.101570355273327
CCn1c([O-])c2ccc(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)cc2nc1=S,C65609627_decoy,GCR,Decoy,0,-10.3569,-2.57,-1.79,-4.407862955025627
O=C([O-])CSc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1F,C67006228_decoy,GCR,Decoy,0,-9.66986,-8.73,-0.75,-7.469611289542557
CCCCCC1CCC(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)CC1,C04427945_decoy,GCR,Decoy,0,-11.4494,1.02,-1.01,-3.613867890742605
CC(C)c1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)s3)s2)cc1,C03220927_decoy,GCR,Decoy,0,-12.3078,-8.97,-1.48,-9.23546606839439
CCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc4c(c23)CCCC4)cc1,C02921817_decoy,GCR,Decoy,0,-7.3783,-4.07,-1.92,-3.7928902962906506
Clc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1,C01912250_decoy,GCR,Decoy,0,-10.5339,-3.81,-1.34,-4.73558637360408
CCCCCCSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)n1-c1ccccc1,C02911355_decoy,GCR,Decoy,0,-11.2669,-7.9,-2.22,-9.662801902213898
CCCCc1ccc(/C(C)=N\Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1,C04748615_decoy,GCR,Decoy,0,-9.05613,-10.22,-3.82,-12.232389466492048
CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCCCCC4)c3C)C2)cc1,C04911334_decoy,GCR,Decoy,0,-9.82075,-3.19,-3.92,-4.516041084668569
CCCSc1nc(NC2CCCCC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3,C02383076_decoy,GCR,Decoy,0,-11.1959,12.38,-2.02,0.1736261430565282
CCCCCn1nc(C)c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)c1C,C05602378_decoy,GCR,Decoy,0,-10.157,-8.14,-0.69,-8.675478121902573
CCCCCC(=O)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl,C01840379_decoy,GCR,Decoy,0,-10.2536,-4.3,-3.8,-4.646054307274128
CC(C)c1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)cc1,C03272076_decoy,GCR,Decoy,0,-11.9159,-5.74,-3.83,-6.555242980734741
C[C@H]1[C@@H](NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CCC[C@@H]1C,C06268001_decoy,GCR,Decoy,0,-6.23501,-5.37,-2.21,-3.569814969049805
CC(C)c1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2Br)cc1,C06358942_decoy,GCR,Decoy,0,-10.3142,-6.77,-3.26,-6.4397916433464
Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1,C06844949_decoy,GCR,Decoy,0,-5.87975,-3.19,-4.01,-2.777520481915711
Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)sc2c1,C06860191_decoy,GCR,Decoy,0,-11.864,22.3,-0.74,3.774323761197563
Cc1cccc(C)c1Nc1nnc(SCc2csc(-c3ccccc3)n2)s1,C06831457_decoy,GCR,Decoy,0,-11.9154,-3.16,-3.74,-4.930391218227354
CCc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1,C08821738_decoy,GCR,Decoy,0,-10.7977,-10.38,-2.22,-13.407908570820355
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C10288973_decoy,GCR,Decoy,0,-10.5171,-3.8,-1.95,-5.185355026883486
CC(C)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1,C12403423_decoy,GCR,Decoy,0,-10.3138,-7.0,-1.83,-6.81515297784203
CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(CC)cc32)cc1,C12486058_decoy,GCR,Decoy,0,-9.71849,-3.0,-2.68,-4.353470536783808
CCn1c(-c2ccccc2)c(-c2csc(Nc3cc(C)ccc3OC)n2)c2ccccc21,C02647100_decoy,GCR,Decoy,0,-10.1057,-3.1,-3.84,-4.306102515306865
CCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n12,C06160061_decoy,GCR,Decoy,0,-6.57889,-8.38,-2.91,-5.2084837222796745
CCOc1cc(/C=N/Nc2ccc(Br)cc2)cc(Br)c1OCC,C13914255_decoy,GCR,Decoy,0,-9.33831,-4.3,-1.15,-6.00540502859644
Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(SC(F)(F)F)cc1)c1ccccc1,C14118254_decoy,GCR,Decoy,0,-10.9524,10.34,-1.81,-0.2106123799525714
Cc1cc(C)c2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4O)c3C)nc2c1,C16268801_decoy,GCR,Decoy,0,-10.3077,-3.41,-2.07,-4.144030942262051
CC/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(OC(C)C)cc1,C17099444_decoy,GCR,Decoy,0,-11.1647,-3.8,-1.71,-4.858609032632856
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C/C(C)=C\c4ccccc4)c3c2C1,C19880766_decoy,GCR,Decoy,0,-7.20085,-6.76,-4.27,-5.083761450797186
CCOC(=O)c1c(NC(=O)c2ccc(SC(F)(F)F)cc2)sc2c1CCC2,C22668636_decoy,GCR,Decoy,0,-10.5183,6.95,-1.53,-1.37579088274144
CCOC(=O)c1c(NC(=O)c2ccc(SC(F)(F)F)cc2)sc2c1CCCC2,C23304948_decoy,GCR,Decoy,0,-11.1055,-2.72,-1.12,-6.180323763531883
CCCCc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1,C39725383_decoy,GCR,Decoy,0,-10.3818,-9.26,-4.0,-12.33346418197632
CC[C@H](C)c1ccc(Cn2c([C@H](C)NC(=O)C3CCCCC3)nc3ccccc32)cc1,C40188148_decoy,GCR,Decoy,0,-10.6755,-4.28,-4.45,-5.204668312758076
CCCCc1ccc2nc(NC(=O)c3cc(Br)cc(C)c3OC)sc2c1,C40717348_decoy,GCR,Decoy,0,-11.134,-2.57,-1.25,-6.331753747905728
CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)S2)cc1,C08952216_decoy,GCR,Decoy,0,-10.7176,-6.49,-1.51,-7.54683134357899
O=C(NC1CCCCC1)[C@H](C1CCCCC1)N(C(=O)C1CCCCC1)c1ccccc1,C36604606_decoy,GCR,Decoy,0,-10.3967,3.17,-4.38,-2.7401227081802504
CCC/C=C/[C@@H](C(=O)NC1CCCCC1)N(C(=O)C1CCCCC1)c1ccccc1,C36604732_decoy,GCR,Decoy,0,-10.3006,-5.57,-2.29,-5.773611651729939
C/C(Cc1nsc(Nc2ccc(Cl)c(Cl)c2)n1)=N\C1CCCCCCC1,C22437942_decoy,GCR,Decoy,0,-10.3083,-4.19,-0.63,-4.184219327354631
Clc1ccc(-c2csc(N/N=C/c3ccc(OCc4ccccc4)cc3)n2)c(Cl)c1,C33377770_decoy,GCR,Decoy,0,-12.2818,-7.2,-4.35,-7.592382201718025
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1,C05719112_decoy,GCR,Decoy,0,-10.3311,-1.96,-3.49,-4.771634844297551
C/C(=N/NC(=O)COc1cc(C)c(Cl)cc1C(C)C)c1ccc(-c2ccccc2)cc1,C59957754_decoy,GCR,Decoy,0,-10.1137,-10.16,-1.61,-12.570806173518235
Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(SC(F)(F)F)cc1,C60279403_decoy,GCR,Decoy,0,-9.3202,-7.02,-2.68,-7.425732240469376
O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1ccccc1SC(F)(F)F,C60304339_decoy,GCR,Decoy,0,-11.145,-5.86,-4.95,-6.283770416066511
COC(=O)[C@H](NC(=O)/C=C/c1ccc(SC(F)(F)F)cc1)c1ccccc1,C60318024_decoy,GCR,Decoy,0,-9.99028,-3.84,-0.76,-5.19126706559623
CSc1nc(Nc2ccccc2OC(C)C)c2c3c(sc2n1)CCCC3,C62039851_decoy,GCR,Decoy,0,-10.7001,-5.08,-2.23,-5.299584817432774
CCCCc1ccc(Nc2nc(C)nc3scc(-c4ccc(OC)cc4)c23)cc1,C62040026_decoy,GCR,Decoy,0,-11.0416,-0.07,-1.99,-4.269769492137479
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccc(C(C)(C)C)cc4)c23)cc1,C62040213_decoy,GCR,Decoy,0,-6.01347,-2.73,-3.78,-2.66622266875948
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccccc4[C@@H](C)CC)c23)cc1,C62041436_decoy,GCR,Decoy,0,-10.4854,-3.38,-3.77,-4.67783713766485
CSc1nc(Nc2ccc(OCC(C)C)cc2)c2c3c(sc2n1)CCCC3,C12223335_decoy,GCR,Decoy,0,-9.1705,-3.58,-3.71,-4.453092665450206
CCCCOc1ccc(/C=C/C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1,C65003382_decoy,GCR,Decoy,0,-10.0198,-4.56,-1.86,-5.131626252984707
CC[C@@H](C)c1ccc2nc(NC(=O)COc3ccc(-c4ccccc4)cc3)sc2c1,C65003901_decoy,GCR,Decoy,0,-11.1113,-3.4,-1.36,-4.683554525195814
CC[C@H](C)c1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)sc2c1,C65004464_decoy,GCR,Decoy,0,-10.7046,-1.67,-1.47,-4.291004508345767
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C(C)(C)C)C2,C02736254_decoy,GCR,Decoy,0,-10.377,26.38,-2.73,6.1576472644885
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12,C07649733_decoy,GCR,Decoy,0,-7.31456,-5.65,-1.98,-4.35267648165462
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C#N)C1,C02163509_decoy,GCR,Decoy,0,-11.7248,-3.38,-3.01,-4.4459177784005925
Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nc3c2ccc2ccccc23)c1,C08445980_decoy,GCR,Decoy,0,-7.5923,-4.35,-5.16,-4.018100771682603
CCOC(=O)c1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CC[C@H](C)C2,C02107747_decoy,GCR,Decoy,0,-12.2533,-3.38,-3.99,-5.025790807146451
O=P1(N/N=C/c2ccccc2Cl)C=C(c2ccccc2)OC(c2ccccc2)=C1,C03198739_decoy,GCR,Decoy,0,-6.15793,1.98,-1.56,-1.342764481010923
O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl,C08831895_decoy,GCR,Decoy,0,-10.5084,-3.04,-2.66,-4.202575223106813
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)c(C)c1,C02354453_decoy,GCR,Decoy,0,-11.4923,-4.54,-3.52,-5.630307410217063
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12,C02310977_decoy,GCR,Decoy,0,-10.2007,-5.03,-4.63,-4.992176380596831
Cc1ccc2nc(-c3ccc(NC(=O)/C(C#N)=C\c4ccc(C(C)C)cc4)cc3)sc2c1,C13563627_decoy,GCR,Decoy,0,-5.35093,-3.44,-4.56,-2.676361962387708
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4Cl)cc3)sc2c1,C14026546_decoy,GCR,Decoy,0,-11.0855,-3.18,-1.89,-4.385133659704658
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCCC2)c(Cl)c1,C14273152_decoy,GCR,Decoy,0,-12.4494,-2.71,-1.3,-4.5681293951794215
,C15770462_decoy,GCR,Decoy,0,,,,
O=C(OCc1ccc(Cl)cc1)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CCC2,C15981250_decoy,GCR,Decoy,0,-12.1205,-3.56,-2.04,-5.052695214540798
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C,C01849025_decoy,GCR,Decoy,0,-11.5534,-3.87,-4.17,-5.131507476468825
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2,C01858969_decoy,GCR,Decoy,0,-11.5001,-2.8,-1.25,-5.048673996976982
Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N/N=C/c3cccs3)c2c1,C02737924_decoy,GCR,Decoy,0,-10.1151,-4.54,-3.32,-4.140720686763945
Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4cccc(C)c4)NC3=O)cc2)c1,C05797624_decoy,GCR,Decoy,0,-9.97025,-4.23,-2.48,-6.137521624724045
CCn1c2ccccc2c2cc([C@@H]3Nc4ccc(OCc5ccccc5)cc4[C@@H]4C=CC[C@H]43)ccc21,C20685071_decoy,GCR,Decoy,0,-11.3368,-5.75,-4.39,-5.225899254344388
CCCN1CCCc2cc(CN(C(=S)Nc3cccc(SC)c3)[C@@H]3CCCC[C@@H]3C)ccc21,C20731163_decoy,GCR,Decoy,0,-11.3895,-9.5,-3.96,-10.38255882600981
CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc5ccccc5c4)c3c2C1,C25559705_decoy,GCR,Decoy,0,-11.0624,-1.78,-3.08,-3.815055098774182
Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1,C26572295_decoy,GCR,Decoy,0,-9.745,-3.8,-3.69,-4.301359404578814
CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C\c4c(F)cccc4Cl)c3c2C1,C27527948_decoy,GCR,Decoy,0,-10.5873,-3.55,-3.27,-4.856320512342939
Cc1nn2c(Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)nc2c1-c1ccccc1,C27585083_decoy,GCR,Decoy,0,-5.99893,-3.61,-4.67,-2.9894725254820416
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1,C01839330_decoy,GCR,Decoy,0,-10.949,-4.15,-4.69,-4.581220336789264
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1,C01850011_decoy,GCR,Decoy,0,-11.2352,-3.94,-3.84,-4.779033944776449
C/N=c1\scc(-c2ccc(OC(F)F)cc2)n1NC1=CCCCc2ccccc21,C03335340_decoy,GCR,Decoy,0,-9.32681,-2.44,-2.91,-3.8617683364927218
Cc1ccc2nc(-c3ccc(NC(=O)COc4c(C)ccc(C)c4C)cc3)sc2c1,C01775926_decoy,GCR,Decoy,0,-9.94628,-3.81,-1.88,-4.483942606403482
N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1,C08691981_decoy,GCR,Decoy,0,-12.2249,-4.17,-2.2,-5.216473442158094
Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(C(C)C)cc4)ncnc32)cc1,C39725445_decoy,GCR,Decoy,0,-10.0847,-2.04,-2.6,-4.020426189946247
O=c1c2[nH]c3ccccc3c2nc(SC(c2ccccc2)c2ccccc2)n1-c1ccccc1,C33856070_decoy,GCR,Decoy,0,-6.52458,-3.97,-4.7,-2.985471828583969
COc1ccc2sc(Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)nc2c1,C36645606_decoy,GCR,Decoy,0,-12.709,-3.22,-2.27,-5.082462079121921
O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2)c(Br)c1,C12465880_decoy,GCR,Decoy,0,-9.60314,-9.2,-4.79,-7.81153861126253
Cc1c(CCC(C)C)c(Nc2ccc(Br)cc2)n2c(nc3ccccc32)c1C#N,C17124847_decoy,GCR,Decoy,0,-6.06186,-4.08,-3.19,-3.5527712513275107
Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C#Cc2ccccc2)c2ccccc2)c(C)c1,C36609529_decoy,GCR,Decoy,0,-9.67582,-3.16,-5.81,-4.275206711063937
Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1C,C08820816_decoy,GCR,Decoy,0,-11.3008,-5.11,-2.48,-5.132524898701484
Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1,C02096584_decoy,GCR,Decoy,0,-11.3983,-5.4,-3.15,-5.443307364690967
O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1,C16525617_decoy,GCR,Decoy,0,-5.53854,-4.69,-3.04,-3.062893748801528
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C#N)C1,C57313761_decoy,GCR,Decoy,0,-12.3348,-2.96,-4.73,-5.234868049778442
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)o2)cc1Cl,C19633394_decoy,GCR,Decoy,0,-12.2982,-3.28,-3.51,-5.63142882302785
O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl,C13602965_decoy,GCR,Decoy,0,-8.22906,-4.07,-4.56,-3.992120677110718
CC(C)(C)[C@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1,C57774925_decoy,GCR,Decoy,0,-6.83911,-3.48,-2.68,-3.270581581112999
O=C(NC1CCCCC1)c1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2,C58826228_decoy,GCR,Decoy,0,-8.17651,26.82,-4.47,6.283597373926059
Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1,C59220323_decoy,GCR,Decoy,0,-11.3016,-9.51,-2.65,-8.250374821476221
O=C(COc1ccc2ccccc2c1)Nc1cc(-c2nc3ccccc3s2)ccc1Cl,C59399918_decoy,GCR,Decoy,0,-11.1678,-8.13,-2.3,-9.501021942497502
Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)ccc4O)ccc3o2)c(C)c1,C59476427_decoy,GCR,Decoy,0,-11.0375,-3.5,-1.73,-4.83753798767927
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4c(C)cc(C)cc4Cl)c23)cc1,C62040160_decoy,GCR,Decoy,0,-10.7359,-2.98,-1.31,-4.745787474140664
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccc(C)c(Cl)c4)c23)cc1,C62040230_decoy,GCR,Decoy,0,-9.38613,-3.95,-1.29,-4.436734567636694
Cc1ccc(-c2csc3ncnc(Nc4ccc(Oc5ccccc5)cc4)c23)c(C)c1,C19960310_decoy,GCR,Decoy,0,-8.97632,-2.8,-1.74,-3.76811070346899
CC(C)COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Cl)cc2s1,C66200843_decoy,GCR,Decoy,0,-9.97362,-3.41,-3.17,-4.563344325348739
CCOc1ccc(N[C@H](c2ccc(C)cc2)P2(=S)OCC(C)(C)CO2)cc1,C03651834_decoy,GCR,Decoy,0,-8.4877,-4.58,-2.8,-4.620648699112472
CCC[C@@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C#N)C1,C02789421_decoy,GCR,Decoy,0,-12.066,-3.7,-4.29,-5.130349031669435
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1OCc1ccccc1,C03167447_decoy,GCR,Decoy,0,-9.81994,-3.33,-2.17,-4.873645035926203
CC(C)OC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2,C05529412_decoy,GCR,Decoy,0,-10.9214,37.31,-5.12,10.786868854777843
CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2,C05672910_decoy,GCR,Decoy,0,-10.0384,-3.49,-1.92,-4.592342667967525
O=C(c1ccccc1)c1c(C[C@@H](O)c2ccccc2)n(C(=O)c2ccccc2)c2ccccc12,C01633588_decoy,GCR,Decoy,0,-7.42327,-4.07,-4.0,-3.803217714803603
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)n2)cc1,C06284475_decoy,GCR,Decoy,0,-11.8338,-4.34,-3.44,-5.4871272488289
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3)nc2c1,C06449723_decoy,GCR,Decoy,0,-11.0249,-6.37,-4.38,-5.587669525700352
CCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1,C06709583_decoy,GCR,Decoy,0,-11.6245,-3.42,-3.77,-5.507233620439567
CCCCCCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1Br,C08565659_decoy,GCR,Decoy,0,-10.483,-3.33,-2.71,-4.793126747647628
CCOc1ccc(Sc2cc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3n2)cc1,C08812894_decoy,GCR,Decoy,0,-9.9727,-3.85,-0.67,-5.009454898135508
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1Cl,C02798909_decoy,GCR,Decoy,0,-8.97745,-9.67,-3.26,-8.633055406818738
CSc1nc(NCc2ccccc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4,C02434596_decoy,GCR,Decoy,0,-9.98192,9.4,-3.82,-0.2188822225777484
Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccc(Cl)cc4)ncnc32)cc1,C02714338_decoy,GCR,Decoy,0,-11.5359,6.63,-0.89,-1.818393320236506
Cc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NC2CCCCC2)c1,C04382207_decoy,GCR,Decoy,0,-9.62216,-5.08,-4.29,-5.079185015948625
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2,C01937184_decoy,GCR,Decoy,0,-11.066,-2.87,-4.79,-4.674213350596318
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(OC)ccc3ccccc13)N2,C14544318_decoy,GCR,Decoy,0,-11.7602,-2.5,-0.97,-4.969447959970134
C[C@@H](Nc1cc(-c2cncc(-c3cccs3)c2)nc(-c2ccccc2)n1)c1ccccc1,C16079431_decoy,GCR,Decoy,0,-7.05796,-3.96,-2.25,-3.5781912630570587
CCOc1cc(CNCCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1,C13721404_decoy,GCR,Decoy,0,-10.8039,-8.87,-4.74,-10.585087566082894
CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1,C20881580_decoy,GCR,Decoy,0,-10.6656,10.36,-2.71,-0.1380127972731724
C[C@@H](CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCCC3)cc1)c1ccccc1,C20902515_decoy,GCR,Decoy,0,-7.27038,-4.74,-5.23,-4.18607058272626
O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(SC(F)(F)F)cc2)s1,C23043221_decoy,GCR,Decoy,0,-9.35115,-2.98,-1.91,-4.271530758312406
O=C(CCC1CCCC1)Nc1cc(-c2ccccc2)nn1-c1cc(Cl)ccc1Cl,C23334885_decoy,GCR,Decoy,0,-10.4688,-4.74,-3.59,-5.231401355068616
O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)Nc1ccc(Cl)cc1,C33068843_decoy,GCR,Decoy,0,-10.3836,-9.27,-4.03,-10.340399647180831
Clc1ccc(COc2ccc(/C=N\Nc3nc4ccccc4s3)cc2)c(Cl)c1,C33395418_decoy,GCR,Decoy,0,-11.235,-9.58,-1.86,-11.597604978206205
CCCCCNC(=O)C[C@@H](c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12,C35768375_decoy,GCR,Decoy,0,-5.95719,-7.21,-1.25,-4.877157113495073
CC(C)(C)NC(=O)[C@@H](C1CCCCC1)N(C(=O)C1CCCCC1)c1cccc(Cl)c1,C36480566_decoy,GCR,Decoy,0,-9.94106,-3.64,-4.22,-4.624310553655199
C=C(C)C(=O)N(c1ccccc1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1C,C36548766_decoy,GCR,Decoy,0,-10.4084,-3.49,-4.21,-4.659402089319516
Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C2CCCCC2)C(C)(C)C)c(C)c1,C36580237_decoy,GCR,Decoy,0,-5.78417,-3.67,-3.64,-2.941722595960408
CC(C)=CC(=O)N([C@H](C(=O)NC1CCCCC1)c1c(Cl)cccc1Cl)C(C)(C)C,C36589244_decoy,GCR,Decoy,0,-10.4226,-2.68,-3.91,-4.586017694588976
CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1,C04911952_decoy,GCR,Decoy,0,-10.1464,-4.44,-3.68,-4.833460953560866
CC(C)c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1,C08604687_decoy,GCR,Decoy,0,-10.5585,-10.49,-2.76,-10.851927496170385
CCCCc1c(-c2ccc(C=O)s2)[nH]c([C@@H]2C=C[C@H](C=O)S2)c1CCCC,C39947937_decoy,GCR,Decoy,0,-10.5679,-3.61,-2.16,-4.42977356703967
CC(C)c1ccc(Cn2c([C@@H](C)NC(=O)C3CCCCC3)nc3ccccc32)cc1,C40188151_decoy,GCR,Decoy,0,-10.7552,-3.83,-2.45,-5.032654435109431
CCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(C(C)C)cc1,C40342214_decoy,GCR,Decoy,0,-9.31495,-2.36,-3.1,-3.694660136477518
CC(C)c1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1,C40948517_decoy,GCR,Decoy,0,-10.216,-9.02,-2.39,-10.200423994093004
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1,C40959515_decoy,GCR,Decoy,0,-9.60187,-5.62,-3.68,-5.549525411278072
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1,C40961252_decoy,GCR,Decoy,0,-10.426,-7.43,-1.87,-6.336947884897016
CCCOC(=O)Nc1ccccc1/N=C1/CCC/C1=C\c1ccc(Cl)cc1Cl,C51329724_decoy,GCR,Decoy,0,-9.65722,-3.66,-3.97,-4.66543546790455
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1Cl,C58871326_decoy,GCR,Decoy,0,-9.12937,-8.6,-2.14,-8.593446240405383
Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H](C)C(=O)Nc3ccc(C)c(C)c3)n2)cc1,C58961221_decoy,GCR,Decoy,0,-8.92192,-6.7,-3.65,-6.607614755140206
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1,C59117505_decoy,GCR,Decoy,0,-11.8892,-3.24,-2.06,-4.742644347195689
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3c(F)cccc3Cl)cc2)c1,C59201266_decoy,GCR,Decoy,0,-11.2361,-2.82,-2.03,-5.154158038940517
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1,C59245245_decoy,GCR,Decoy,0,-7.38943,-4.39,-3.17,-4.103120559384989
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(OC(F)(F)F)cc3)o2)cc1Cl,C59400792_decoy,GCR,Decoy,0,-9.9807,-3.84,-3.22,-4.294529716328256
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C,C59432644_decoy,GCR,Decoy,0,-10.6574,-6.33,-4.18,-6.852504215024924
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c1,C59432981_decoy,GCR,Decoy,0,-9.63898,-7.31,-2.12,-6.706338416705468
CC[C@H](C)c1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1,C65003830_decoy,GCR,Decoy,0,-11.3516,-6.41,-3.36,-8.192627013013759
CC[C@@H](C)c1ccc2nc(NC(=O)COc3cc(Cl)ccc3Cl)sc2c1,C65004522_decoy,GCR,Decoy,0,-10.0723,-5.98,-3.98,-7.790919548629379
Cc1ccc(C)c(OCCCC(C)(C)C(=O)Nc2cc(Cl)ccc2Cl)c1,C66201110_decoy,GCR,Decoy,0,-8.54728,-8.2,-2.69,-8.353757808808519
CCCCCc1ccc(-c2ccc(/C=C/C(=O)N[C@@H](C)c3ccccc3)cc2)nc1,C02494968_decoy,GCR,Decoy,0,-11.5495,-3.4,-1.24,-5.95594734708594
N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccc(Cl)cc2)c1-n1cccc1,C01382842_decoy,GCR,Decoy,0,-9.39576,-3.06,-4.05,-3.891051235642122
Cc1ccccc1N/N=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1,C04175318_decoy,GCR,Decoy,0,-10.9073,-3.55,-4.75,-4.358364992390083
O=C(/C=C/c1cccc(Br)c1)Nc1ccc(/N=N/c2ccccc2)cc1,C04401793_decoy,GCR,Decoy,0,-9.84936,-4.22,-3.24,-4.847795350393986
CCCSc1nc(NC2CCCCC2)c2c3c(sc2n1)COC(C)(C)C3,C02220102_decoy,GCR,Decoy,0,-10.7047,-2.38,-3.67,-4.247527657336948
O=C1O[C@@](c2ccccc2)(N(Nc2ccccc2)c2ccccc2)c2ccccc21,C01723166_decoy,GCR,Decoy,0,-9.12155,-5.5,-1.9,-5.045117656905611
c1ccc(Oc2ccc(Nc3ncnc4scc(-c5ccccc5)c34)cc2)cc1,C01780672_decoy,GCR,Decoy,0,-9.70023,-7.3,-2.66,-7.946074109543706
Cc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n23)cc1C,C04674551_decoy,GCR,Decoy,0,-5.73853,-4.08,-3.38,-3.042936122753041
CCC(C)(C)[C@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc(C)cc4)c3c2C1,C04680532_decoy,GCR,Decoy,0,-10.7209,-2.25,-3.41,-4.421217331427131
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1,C02960469_decoy,GCR,Decoy,0,-10.6743,-5.76,-3.42,-5.524728424379661
Cc1c(C(=O)O[C@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2,C04910957_decoy,GCR,Decoy,0,-9.51825,-3.59,-3.68,-4.158238085079153
CCN(CC)c1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1,C04953388_decoy,GCR,Decoy,0,-10.2206,8.7,-3.16,-0.5374186025098623
Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1,C05698195_decoy,GCR,Decoy,0,-10.8222,-3.9,-1.32,-4.56026593217406
c1ccc(Nc2ccc(Oc3nc(-c4cccs4)nc4ccccc34)cc2)cc1,C03405265_decoy,GCR,Decoy,0,-10.4033,-4.54,-2.5,-5.335171519219895
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3OC(F)F)c2C#N)C1,C02792604_decoy,GCR,Decoy,0,-10.1288,-3.4,-2.86,-4.766733674082834
N#C/C(=N/Nc1cccc(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1,C06496223_decoy,GCR,Decoy,0,-10.4746,-4.94,-4.08,-4.781713173526412
Cc1ccc2nc(-c3ccc(NC(=O)COc4c(C)cccc4C)cc3)sc2c1,C06860190_decoy,GCR,Decoy,0,-9.40246,-4.8,-1.11,-4.870935743611385
c1ccc(Nc2nc(SCc3cccc4ccccc34)nc3ccccc23)cc1,C03339955_decoy,GCR,Decoy,0,-9.8077,-9.97,-3.83,-4.965345329840614
C=CCOc1ccc(/C=C2\S/C(=N\c3cc(Cl)cc(Cl)c3)N=C2O)cc1,C01901722_decoy,GCR,Decoy,0,-12.2825,-3.51,-2.65,-4.970050289508511
Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1,C04491596_decoy,GCR,Decoy,0,-10.2091,-3.9,-3.2,-4.9196800413520725
Clc1ccccc1N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1,C03308456_decoy,GCR,Decoy,0,-10.2245,-1.26,-2.71,-5.38620059427528
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C,C09251034_decoy,GCR,Decoy,0,-11.2235,-4.7,-3.56,-5.044415345988359
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C,C10151221_decoy,GCR,Decoy,0,-8.04189,-6.76,-2.72,-4.653179624959252
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C12292618_decoy,GCR,Decoy,0,-11.5683,-4.04,-4.23,-4.926842444191375
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4C)cc3)sc2c1,C13993730_decoy,GCR,Decoy,0,-11.2624,-3.05,-2.31,-4.083749791804292
CCCCCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCC)N2,C14545616_decoy,GCR,Decoy,0,-10.7543,-1.59,-0.94,-4.020378131630965
CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1nc2ccccc2s1,C16138733_decoy,GCR,Decoy,0,-10.7027,-3.67,-2.24,-4.99643468933677
CCCCCc1c(-c2ccccc2)nc(SCc2cc(C)ccc2C)[nH]c1=O,C16853285_decoy,GCR,Decoy,0,-10.2607,-7.87,-5.4,-8.436916118997582
Cc1c(C(=O)O[C@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2,C17087767_decoy,GCR,Decoy,0,-10.3635,-2.44,-4.21,-3.8963826190870665
CSc1nc(Nc2ccc(C)c(C)c2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1,C19820365_decoy,GCR,Decoy,0,-11.1135,31.22,-3.76,7.886433327955515
CCCCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OCC)cc1)N2,C20717757_decoy,GCR,Decoy,0,-10.6994,-8.98,-1.41,-9.610689214551302
Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1,C21127838_decoy,GCR,Decoy,0,-10.7245,-4.97,-1.88,-5.259326863688954
CC(C)c1ccc(-c2ncc(CSc3nc4ccccc4c(=O)[nH]3)s2)cc1,C06907245_decoy,GCR,Decoy,0,-9.02695,-4.6,-2.38,-4.864138890702466
Cc1c(C(=O)/C(C#N)=N\Nc2ccc(C(C)C)cc2)sc2ccc(Cl)cc12,C02153912_decoy,GCR,Decoy,0,-9.92987,-4.93,-3.49,-5.855026890545701
CCCSc1nc(Nc2ccc(C)cc2)c2sc3c(c2n1)COC(C)(C)C3,C34773105_decoy,GCR,Decoy,0,-9.11204,-3.78,-4.45,-4.3430396658611885
CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nc2ccccc2s1,C17995987_decoy,GCR,Decoy,0,-11.1661,-4.1,-1.01,-4.6669381342063225
Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2,C04910939_decoy,GCR,Decoy,0,-11.255,-3.22,-3.14,-4.447367085916464
CCc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCCCC4)c3C)C2)cc1,C04911391_decoy,GCR,Decoy,0,-9.92396,-1.95,-3.94,-3.741658494042608
CCOc1ccc(/C=N/N=c2/[nH]c(-c3ccc(Cl)c(Cl)c3)cs2)cc1,C26508174_decoy,GCR,Decoy,0,-11.7942,-6.89,-2.42,-7.440999312145792
CC(C)[C@@H](C)NC(=O)C[C@H](Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12,C35395470_decoy,GCR,Decoy,0,-9.84003,-8.37,-4.81,-11.067265042210227
Cc1ccc(C(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1,C40884063_decoy,GCR,Decoy,0,-10.3608,-3.57,-1.56,-4.467295856274677
Cc1ccc(-c2ccc(OCC(=O)Nc3nc4c(C)c(C)ccc4s3)cc2)cc1,C40965652_decoy,GCR,Decoy,0,-9.98926,-2.94,-1.12,-4.453530637932255
Cc1c(CCC(C)C)c(Nc2ccc(Cl)cc2)n2c(nc3ccccc32)c1C#N,C17146579_decoy,GCR,Decoy,0,-10.8797,-4.61,-2.08,-5.307868557229192
CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1,C17080497_decoy,GCR,Decoy,0,-10.9622,10.28,-2.81,-0.2808836895452226
Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4s3)cc2)c(C)c1,C18051646_decoy,GCR,Decoy,0,-11.091,-5.01,-3.38,-5.171396395080581
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1,C07073547_decoy,GCR,Decoy,0,-11.1966,-3.72,-1.76,-4.566035087392688
CCc1nc2cc(/N=C/c3cc(Cc4ccccc4Cl)ccc3O)ccc2o1,C59476460_decoy,GCR,Decoy,0,-10.0758,-3.08,-4.78,-4.022298743512724
Cc1nc(Nc2ccccc2OC(C)C)c2c(-c3ccc(F)cc3)c(C)sc2n1,C62039973_decoy,GCR,Decoy,0,-10.3833,-3.88,-3.89,-4.499351863011819
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4cc(C)ccc4C)c23)cc1,C62040165_decoy,GCR,Decoy,0,-9.77977,-1.81,-4.12,-3.5861188076606285
CCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1,C65002176_decoy,GCR,Decoy,0,-10.5063,-3.03,-6.2,-4.229722171113433
Brc1cnc2c(Br)cncc2c1,C00343343_decoy,GCR,Decoy,0,-6.79895,-5.16,-0.33,-2.142399041237043
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(Cl)c2)C1,C00183665_decoy,GCR,Decoy,0,-7.93046,-8.27,-0.43,-6.413034810473998
Clc1cc(I)cc2c1OC[C@H](Cl)C2,C04183013_decoy,GCR,Decoy,0,-8.27618,-6.43,-0.74,-4.83490399303572
O=C(Br)[C@](F)(Br)C(F)(F)F,C04329265_decoy,GCR,Decoy,0,-5.01612,-4.03,-0.74,-2.723211053347716
CC[C@H]1Sc2sc(=S)sc2S[C@H](CC)C1=O,C03669101_decoy,GCR,Decoy,0,-10.9428,-5.17,-3.89,-7.699455121852056
Cc1cn2cc(-c3ccc(I)cc3)nc2s1,C00433051_decoy,GCR,Decoy,0,-8.50634,-1.31,-0.01,-2.4280886395247703
O=C(Cl)C(Br)(Br)Br,C04976094_decoy,GCR,Decoy,0,-6.88424,-3.52,-0.44,-3.382784722213426
C=C1N=C(Cc2ccc(Br)cc2)C(=O)S1,C05396909_decoy,GCR,Decoy,0,-6.79292,-6.71,-1.54,-6.264506869985809
CC(=O)c1cc(Br)sc1Br,C05632247_decoy,GCR,Decoy,0,-6.94597,-4.9,-0.96,-3.213749992077153
C[C@@H]1CCCN(C(=O)[C@@]2(C)CC2(Br)Br)C1,C02771479_decoy,GCR,Decoy,0,-7.77662,-5.84,-1.31,-6.575658687110065
Cc1ccc(C)n1-c1ccc(I)cc1,C03181272_decoy,GCR,Decoy,0,-7.03653,-6.62,-2.13,-6.1609887625223285
O=C1N=C(S)S/C1=C\c1cc(Br)cs1,C02536780_decoy,GCR,Decoy,0,-9.59179,-5.95,-0.28,-8.441903242219935
CS[C@@]1(c2ccc(C)cc2)CC(C)=C(C)C[S@@+]1[O-],C17111747_decoy,GCR,Decoy,0,-8.40381,9.58,-0.27,0.3619792969386916
Clc1cnc(I)c2ccsc12,C19721570_decoy,GCR,Decoy,0,-7.71948,-5.24,0.2,-4.965636323213437
C=Cn1c(Br)nc(Br)c1Br,C22000996_decoy,GCR,Decoy,0,-7.37744,-4.63,-0.07,-3.2457245038365645
O=C(c1cccc(I)c1)c1cccs1,C34976740_decoy,GCR,Decoy,0,-8.32995,-7.17,-0.99,-6.700070590267869
Cc1ccc(-c2nc3ccc(Br)cn3c2C)cc1,C36259671_decoy,GCR,Decoy,0,-7.18053,-3.55,0.18,-2.6141196245508893
CC(=O)N1CCc2cc(Br)c(Br)cc21,C36948880_decoy,GCR,Decoy,0,-7.22326,-6.27,-1.22,-5.612738454468576
Clc1ccc(-c2csc(-c3cccnc3)n2)s1,C00117778_decoy,GCR,Decoy,0,-8.40055,-8.05,-2.47,-9.774870228403987
Clc1ccc2nc(-c3ccc(Br)s3)cn2c1,C04003185_decoy,GCR,Decoy,0,-7.7943,-2.47,0.11,-2.7671715001032955
CC[C@@H]1CCC2=NC(=S)[C@H](C#N)C(C(F)(F)F)=C2C1,C39325128_decoy,GCR,Decoy,0,-7.98133,-6.62,-2.0,-6.519413816949927
CS[C@@H]1CC[C@]2(C[C@H](Br)CN2Cl)C1,C39506238_decoy,GCR,Decoy,0,-8.522,-6.01,-0.42,-5.568927015577279
CS[C@H]1CN(Br)[C@@]2(CC[C@H](Br)C2)C1,C39506608_decoy,GCR,Decoy,0,-9.30861,-5.59,-0.31,-6.477260688777867
CS[C@H]1CN(Br)[C@@]2(CC[C@H](Cl)C2)C1,C39506640_decoy,GCR,Decoy,0,-8.37862,-5.52,-0.08,-6.874056053095601
CS[C@@H]1CC[C@@]2(C1)[C@H](I)CCCN2Cl,C39511576_decoy,GCR,Decoy,0,-8.84881,-5.91,-0.7,-6.237346542148192
CS[C@@H]1CC[C@@]2(C1)[C@H](F)CCCN2Br,C39511606_decoy,GCR,Decoy,0,-7.91591,-6.08,-0.57,-6.757023008195582
CS[C@@H]1CC[C@@]2(C1)[C@H](Cl)CCCN2Br,C39511610_decoy,GCR,Decoy,0,-7.85911,-5.91,-0.49,-6.242186043373457
F[C@H]1CC[C@]2(C1)[C@@H](F)CCCN2I,C39512368_decoy,GCR,Decoy,0,-6.54404,-5.81,-0.4,-4.452393454649202
F[C@H]1CCC[C@]2(CCC[C@H](Br)C2)N1Br,C39525258_decoy,GCR,Decoy,0,-7.49123,-6.07,-0.28,-4.648112613994741
Clc1cn(-c2ccccc2)cc1I,C39540740_decoy,GCR,Decoy,0,-6.40234,-6.81,0.26,-5.309961191761329
O=Cc1ccc2cc(I)ccc2n1,C01526637_decoy,GCR,Decoy,0,-5.98962,-6.94,0.1,-7.677456536883618
N#C[C@H](c1cc(Br)cs1)N1CCCCC1,C41678567_decoy,GCR,Decoy,0,-8.0004,-6.04,-1.03,-5.723489304586495
ClCc1nc(Cl)c2ccc(Br)cc2n1,C41702507_decoy,GCR,Decoy,0,-9.01561,-5.93,-0.72,-5.847207322920074
O=C1CCCc2c1ccn2-c1ccc(I)cc1,C41706204_decoy,GCR,Decoy,0,-7.89802,-7.64,-0.36,-5.962343923296944
Cc1sc2nc(CC(F)(F)F)nc(Cl)c2c1C,C42412975_decoy,GCR,Decoy,0,-8.00349,-7.57,-0.55,-9.14003023104356
C[C@@H]1CCC[C@@H](N(C)c2ccc(Br)cn2)C1,C42491650_decoy,GCR,Decoy,0,-7.65226,-6.12,-0.39,-5.783758159080665
C[C@@H]1c2ccsc2CCN1Cc1sccc1Br,C43503152_decoy,GCR,Decoy,0,-10.0605,-5.81,-0.23,-6.029027063510732
Brc1ccc([C@@H](Br)[C@@H]2CCOC2)s1,C48630329_decoy,GCR,Decoy,0,-8.01205,-5.56,-0.09,-6.757705675432625
O=C(c1cc(F)cc(Br)c1)N1CC[C@@H]2CCCC[C@@H]2C1,C49083078_decoy,GCR,Decoy,0,-8.43777,-8.37,-0.44,-8.141476720933232
Cc1cccc2c1CCN2C(=O)c1ccc(Br)s1,C49490455_decoy,GCR,Decoy,0,-8.70955,-7.46,-0.59,-9.410861105023386
C[C@@H]1[C@@H](C)CCCN1C(=O)c1csc(Br)c1,C50566510_decoy,GCR,Decoy,0,-8.53518,-7.17,-0.6,-9.15255919972039
Cc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(C)c1Br,C50594561_decoy,GCR,Decoy,0,-7.79647,-7.8,-0.69,-10.06197416590654
Cl[C@@H](c1ccc(Br)cc1)[C@@H]1CCCCO1,C50972210_decoy,GCR,Decoy,0,-7.62132,-6.23,-1.97,-7.530118200019604
Cc1cc(C)cc([C@H](Cl)C(=O)N2CCCCCC2)c1,C50985915_decoy,GCR,Decoy,0,-8.61481,-8.13,-0.7,-11.190154885292852
C[C@@H](Cl)c1nc2ccc(F)c(F)c2n1C1CCCC1,C53170701_decoy,GCR,Decoy,0,-8.06743,-7.84,,99.0
Cc1ccc([C@@H](Cl)c2ccc(Br)cc2)c(C)n1,C55331377_decoy,GCR,Decoy,0,-7.73527,-7.77,-1.32,-8.212076299184714
Cl[C@@H](c1ccc2c(c1)CCC2)c1ccc(Br)cn1,C61870595_decoy,GCR,Decoy,0,-9.29987,-7.16,-0.02,-7.210075738690411
O=Cc1cc(F)c(N2CC[C@@H]3CCCC[C@@H]3C2)c(F)c1,C62707350_decoy,GCR,Decoy,0,-7.60846,-8.49,-0.72,-7.096626774831863
Cc1nc2ccccc2nc1[C@@H](C)[C@@H](C)Br,C63046112_decoy,GCR,Decoy,0,-7.83531,-4.25,-2.15,-3.462962886555958
O=Cc1cc(I)ccc1Br,C66352311_decoy,GCR,Decoy,0,-6.41549,-5.62,-1.46,-3.2156714708309524
O=c1c2c3c(sc2nc(SCc2ccc(Cl)c(Cl)c2)n1C1CCCCC1)CCC3,C02183018_decoy,GCR,Decoy,0,-8.3658,-4.11,-4.07,-3.557920833579544
Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(Br)cc23)cc1,C02578186_decoy,GCR,Decoy,0,-10.2301,-4.16,-3.55,-4.612536506424058
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1,C08821471_decoy,GCR,Decoy,0,-12.0836,-3.02,-1.77,-4.514988560283273
C[C@H]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccccc4)c(=O)c23)C1,C02614213_decoy,GCR,Decoy,0,-12.691,-3.71,-4.89,-5.327188907502358
c1ccc(CSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)cc1,C09281745_decoy,GCR,Decoy,0,-7.80963,-4.14,-4.78,-3.695408568845035
Clc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccc(Cl)cc2)cc1,C09308386_decoy,GCR,Decoy,0,-10.1148,-5.48,-3.55,-7.214571265908309
Cc1ccc([P@](=Nc2ccc(C)c(Cl)c2)(Oc2cccc(Br)c2)C(C)(C)C)o1,C12575349_decoy,GCR,Decoy,0,-8.87289,-8.26,-4.22,-8.638831590566385
C[C@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1,C02715083_decoy,GCR,Decoy,0,-9.72301,-3.55,-1.51,-3.9985577710671625
FC(F)Oc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1,C13306516_decoy,GCR,Decoy,0,-7.13817,-3.43,-3.89,-3.508417354908837
C=CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3,C02194021_decoy,GCR,Decoy,0,-11.9866,-3.95,-2.63,-5.329896315419403
Cn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cccc(Cl)c21,C12032937_decoy,GCR,Decoy,0,-11.2078,-4.09,-1.93,-4.478181328658237
O=C(Oc1ccc(/C=N/c2ccc(I)cc2)cc1)c1ccccc1Cl,C03117364_decoy,GCR,Decoy,0,-10.5067,-4.37,-0.93,-5.272289541362646
Fc1ccc([C@@H]2CC(c3cccc(/N=C/c4ccc(Cl)cc4)c3)=NN2c2ccccc2)cc1,C15773299_decoy,GCR,Decoy,0,-11.767,-4.01,-3.16,-5.046140932177855
CC(C)(C)c1ccc(C(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)cc1,C15905891_decoy,GCR,Decoy,0,-6.83207,-3.79,-3.45,-3.164131574797855
S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2cccc3ccccc23)CC1,C02690685_decoy,GCR,Decoy,0,-11.8515,-9.61,-3.77,-8.720626063492082
Brc1ccc(/C=C/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1,C16386264_decoy,GCR,Decoy,0,-12.2851,27.53,-1.37,5.589541659101334
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1,C16676199_decoy,GCR,Decoy,0,-13.0002,-4.14,-2.06,-5.145570515170703
Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1,C19646938_decoy,GCR,Decoy,0,-9.35583,-3.63,-2.53,-4.345452861120782
FC(F)(F)c1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cccc(Cl)c2n1,C20443816_decoy,GCR,Decoy,0,-8.84983,-3.83,-2.36,-4.344961738593906
O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C20616413_decoy,GCR,Decoy,0,-9.3504,-4.07,-1.71,-3.759745464583362
Cc1cccc(-c2nc(CN3CCc4c(sc5c4CCCC5)[C@H]3c3ccccc3)c(C)o2)c1,C15864818_decoy,GCR,Decoy,0,-7.39391,-4.67,-2.96,-3.667657308249901
CSCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(Cl)ccc21,C22857531_decoy,GCR,Decoy,0,-12.3413,-7.09,-2.32,-10.105551563888667
Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(-c3ccc(Br)cc3)cs2)cc1,C28060771_decoy,GCR,Decoy,0,-8.68937,-3.08,-3.97,-3.733006895109501
Cc1ccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(C)cc3)n2)cc1,C28061486_decoy,GCR,Decoy,0,-9.98966,-3.46,-3.57,-4.081695991007288
Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(Cl)cc3)n2)cc1,C28064715_decoy,GCR,Decoy,0,-7.91418,5.96,-3.98,-0.6114950873911017
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc(-c2ccc3ccccc3c2)cs1,C28356620_decoy,GCR,Decoy,0,-13.5482,12.8,-0.88,-0.2398478842419788
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1,C28356765_decoy,GCR,Decoy,0,-11.1746,-4.78,-5.52,-4.75451705995025
N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)c1nc(-c2cccc3ccccc23)cs1,C28357141_decoy,GCR,Decoy,0,-6.4381,-3.59,-2.19,-2.806647526107066
O=c1c2ccccc2nc(/C=C\c2cccc(Br)c2)n1-c1cccc2ccccc12,C33148344_decoy,GCR,Decoy,0,-10.1265,-4.82,-4.94,-4.55347000623928
Cc1ccc(OC(=O)[C@]23CC[C@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1,C33366916_decoy,GCR,Decoy,0,-8.67552,-4.34,-0.97,-4.102755204365067
N#C/C(=C\c1cccc2ccccc12)c1nc(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cs1,C33699402_decoy,GCR,Decoy,0,-13.074,-3.89,-3.69,-4.963321639508178
CCCCCCn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21,C35551733_decoy,GCR,Decoy,0,-10.5253,-3.74,-2.77,-4.713923936836756
C=CCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2ccc(Cl)c(Cl)c21,C36630961_decoy,GCR,Decoy,0,-12.0153,-4.82,-1.7,-5.8188399443302
C#CCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2ccc(Cl)c(Cl)c21,C36631730_decoy,GCR,Decoy,0,-12.3657,-3.4,-0.75,-5.00038237247415
CC(C)(C)c1ccc(C(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@H]2c2cccs2)cc1,C39404514_decoy,GCR,Decoy,0,-7.83154,-3.83,-4.81,-3.5118248717175966
CN1/C(=C/C=C2\CC/C(=C\C=C3\N(C)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21,C39440201_decoy,GCR,Decoy,0,-6.64634,51.82,,99.0
Cc1nc(-c2ccccc2)sc1-c1ccc(SCc2ccc(Cl)c(Cl)c2)nn1,C36717001_decoy,GCR,Decoy,0,-11.8315,-8.9,-1.97,-8.595232666282934
CCn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cccc(Cl)c21,C33880177_decoy,GCR,Decoy,0,-11.1458,-3.72,-4.06,-4.329004603733825
C/C(=C1/S/C(=N/c2cccnc2Cl)N(C2CCCCC2)C1=O)c1ccc(C)c(C)c1,C39864173_decoy,GCR,Decoy,0,-6.26103,6.95,,99.0
CN1/C(=C/C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)C=Cc2ccccc21,C12524301_decoy,GCR,Decoy,0,-8.33547,-1.86,-1.96,-2.7270964920615755
CC1(C)CC2=NN(c3ccccc3)[P@@](=S)(N3CCCCC3)C2=C(N2CCCCC2)C1,C15906187_decoy,GCR,Decoy,0,-5.54754,-3.06,-0.97,-2.308110640980017
O=c1/c(=C\c2ccccc2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1,C58856595_decoy,GCR,Decoy,0,-7.25493,-4.47,-5.84,-2.9996506272017327
CSc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1,C33711681_decoy,GCR,Decoy,0,-9.67152,21.82,-2.53,4.8648292357394505
O=c1/c(=C\c2ccc(Br)cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1,C58865372_decoy,GCR,Decoy,0,-6.60589,-2.76,-2.97,-2.400203213151032
CCc1ccc([C@H]2S[C@]3(SC(C(C)=O)=NN3c3ccc(Cl)cc3Cl)c3ccccc32)cc1,C59125695_decoy,GCR,Decoy,0,-5.36504,-2.13,-1.84,-2.3247372801456363
CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)S[C@@H](c1ccc(C(C)C)cc1)c1ccccc12,C59126056_decoy,GCR,Decoy,0,-10.9188,-3.65,-5.42,-4.524208637017198
Cc1ccc(C2=NN(c3ccccc3)[C@@]3(ON=C(c4ccccc4)S3)c3ccccc32)cc1,C59379636_decoy,GCR,Decoy,0,-6.1489,-5.16,-3.32,-3.3727786861647795
Clc1cccc(Cl)c1N1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1c1cccs1,C59462685_decoy,GCR,Decoy,0,-11.4413,-3.96,-2.02,-4.901970488806035
O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(Cc1ccc(Cl)c(Cl)c1)C3,C41668334_decoy,GCR,Decoy,0,-11.7754,-3.27,-3.59,-4.416763686944986
Cc1ccnc2c(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H](c3ccccc3)C=C[C@@H]4c3ccccc3)cccc12,C09600907_decoy,GCR,Decoy,0,-5.15501,-5.01,-4.61,-3.1888204388545627
Cc1ccc(C(=O)c2c(N)sc3c2CCCCC3)cc1,C00413888_decoy,GCR,Decoy,0,-7.97512,-7.59,-0.49,-6.261888047921396
Nc1c(Br)c2ccccc2c2ccccc12,C00400157_decoy,GCR,Decoy,0,-7.42409,-7.49,-1.49,-6.086744864964464
Nc1ccc(C2=Nc3cccc4cccc(c34)S2)cc1,C01760525_decoy,GCR,Decoy,0,-7.85438,-1.82,-0.81,-2.337237368955921
Nc1c(Cl)cc2c(c1Cl)Cc1cc(Cl)ccc1-2,C01609903_decoy,GCR,Decoy,0,-9.13602,-7.05,-0.03,-6.719651027157986
CC[C@@H](O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,C05468962_decoy,GCR,Decoy,0,-7.85318,-6.48,-1.86,-7.661143874660597
Cc1cc(Sc2cc(C)c(O)c(C)c2)cc(C)c1O,C02569463_decoy,GCR,Decoy,0,-7.98098,-8.03,-1.13,-7.557843845425642
Cc1ccc(-c2csc(-c3ccccc3N)n2)cc1,C04193500_decoy,GCR,Decoy,0,-8.24365,-7.42,-0.92,-8.732215027353512
c1ccc2cc3c(cc2c1)Nc1cc2ccccc2cc1N3,C01873125_decoy,GCR,Decoy,0,-8.26648,-3.74,-0.6,-2.367191822663477
Nc1cc(Cl)ccc1OCc1ccc(Cl)s1,C19805184_decoy,GCR,Decoy,0,-8.00487,-7.36,-0.85,-6.704496571894084
CC(C)c1sc(N)nc1-c1ccc2c(c1)CCCC2,C20340446_decoy,GCR,Decoy,0,-8.41171,-4.1,0.29,-3.849396221315586
Nc1cc(-c2ccc(Cl)c(Cl)c2)ccc1Cl,C32003884_decoy,GCR,Decoy,0,-7.78032,-5.82,-0.83,-3.5780223201158763
Nc1cc(Cc2ccc3c(c2)CCCC3)ccc1Cl,C32119673_decoy,GCR,Decoy,0,-7.91494,-7.81,-0.33,-6.032370825439912
Cc1ccc([C@@H](N)c2cc3c(s2)CCCCC3)s1,C35081576_decoy,GCR,Decoy,0,-10.3365,-3.63,-0.25,-3.880415342122826
C[C@@H]1CCCC[C@H]1NC(=S)NC1CCCCCC1,C35082181_decoy,GCR,Decoy,0,-9.16943,-6.25,-1.02,-6.585556940995968
Nc1ccc(Sc2ccccc2Cl)c2ncccc12,C35342316_decoy,GCR,Decoy,0,-8.19104,-7.79,-1.83,-6.93481699322875
Cc1ccc([C@H](N)c2cc3c(s2)CCCC3)s1,C35380387_decoy,GCR,Decoy,0,-9.85044,-2.93,-4.55,-3.468054597903412
Cc1ccc([C@@H](N)c2cc3c(s2)CCCC3)s1,C35380390_decoy,GCR,Decoy,0,-9.71344,-2.39,-0.64,-3.179069932045849
CC(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1ccc(N)cc1F,C36912881_decoy,GCR,Decoy,0,-7.72166,-7.28,-0.83,-7.118832357315815
Cc1ccc(Sc2nc3ccccc3s2)c(N)c1,C36964624_decoy,GCR,Decoy,0,-8.11365,-6.6,-1.01,-6.182080927068819
Cc1ccc(N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)c(C)c1O,C37130366_decoy,GCR,Decoy,0,-8.93426,-9.22,-0.64,-11.127877415279317
Cc1ccc2ccn(Cc3ccc(Cl)c(N)c3)c2c1,C37402602_decoy,GCR,Decoy,0,-7.84304,-8.53,-0.54,-7.923611385945841
CC[C@H]1CCCC[C@@H]1OCc1ccc(Cl)c(N)c1,C37402761_decoy,GCR,Decoy,0,-7.36606,-7.53,-0.28,-8.451113172464119
CC(C)[C@H]1CC[C@H](C)C[C@H]1Oc1cccc(F)c1N,C37420171_decoy,GCR,Decoy,0,-7.58216,-7.07,-0.56,-7.38522635087995
Nc1cccc(C#Cc2ccc(-c3ccccc3)cc2)c1,C37547821_decoy,GCR,Decoy,0,-8.38392,-9.82,-1.18,-6.618654572296486
O[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1F,C37691104_decoy,GCR,Decoy,0,-7.95001,-6.76,-0.51,-5.7506805037908295
C/C(=C\c1ccccc1)C1Nc2cccc3cccc(c23)N1,C04869609_decoy,GCR,Decoy,0,-8.28855,-2.19,-2.66,-2.9327161032446174
O[C@@H]1CCCCC[C@H]1Nc1cc(Cl)cc(Cl)c1,C37877091_decoy,GCR,Decoy,0,-7.84873,-7.85,-0.98,-6.9197744931260905
OCCc1ccc(N[C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)cc1,C40737889_decoy,GCR,Decoy,0,-9.32102,-8.57,-0.8,-11.353857093697194
Cc1cc(O[C@@H](C)c2cccc(N)c2)ccc1C(C)C,C40908352_decoy,GCR,Decoy,0,-7.72372,-8.09,-1.72,-6.967451717507151
Cc1cc(O[C@H](C)c2ccc(N)cc2)cc(C)c1Cl,C40909201_decoy,GCR,Decoy,0,-8.28043,-8.13,-0.96,-7.98986710449809
C[C@H](Sc1ccc(Cl)cc1)c1ccc(N)cc1,C40909242_decoy,GCR,Decoy,0,-7.30495,-7.51,-1.58,-6.21356548674253
Nc1ccc(C(=O)c2ccc(Cl)s2)cc1Cl,C41405811_decoy,GCR,Decoy,0,-7.74523,-7.31,-0.64,-7.978800156433023
Cc1cccc(C)c1-c1nc(N)sc1C1CCCC1,C41658752_decoy,GCR,Decoy,0,-8.38518,-3.94,-3.15,-3.567603225837489
Cc1ccsc1[C@@H](N)c1cc2c(s1)CCCCC2,C42728703_decoy,GCR,Decoy,0,-9.99736,-3.43,-0.78,-3.773883399955335
Nc1ccc(SC2CCCCC2)c(Br)c1,C43597908_decoy,GCR,Decoy,0,-8.26637,-7.46,-0.19,-6.7433060465557775
CCC[C@H]1CCc2nc(-c3ccccc3N)sc2C1,C44732307_decoy,GCR,Decoy,0,-9.26881,-8.23,-0.6,-11.323173098617524
OC1CC23CCCCCCCCCCC2(C1)CC(O)C3,C45072056_decoy,GCR,Decoy,0,-8.94384,-2.12,-0.49,-2.126378810928192
Cc1ccc2nc(-c3ccc(Cl)c(N)c3)sc2c1,C45923373_decoy,GCR,Decoy,0,-8.00121,-8.2,-0.19,-8.54991983286082
Cc1cccc2sc(-c3cc(N)ccc3Cl)nc12,C45946662_decoy,GCR,Decoy,0,-7.78021,-7.46,-1.49,-5.646501013346938
Nc1cc(F)c(Oc2ccc3c(c2)CCCC3)c(F)c1,C48807710_decoy,GCR,Decoy,0,-8.40157,-7.65,-0.25,-8.97698181613773
Cc1cc(C(N)=S)ccc1N(C)[C@@H]1CCC[C@H](C)C1,C49014560_decoy,GCR,Decoy,0,-9.58215,-7.37,-0.07,-7.629284267388691
CCc1nc(N)sc1Cc1cc(Cl)ccc1C,C50266362_decoy,GCR,Decoy,0,-8.26196,-7.19,-2.41,-6.33996868493082
Nc1ccc(F)cc1Sc1nc2ccccc2s1,C52122342_decoy,GCR,Decoy,0,-7.6143,-6.69,-1.74,-6.244868224518536
OCCc1ccc(NC2C3CC4CC(C3)CC2C4)cc1,C58406208_decoy,GCR,Decoy,0,-8.06007,-8.2,-1.78,-7.253996199341597
Cc1cccc(N[C@H]2C[C@@H](C)Nc3cc(C)ccc32)c1,C05394550_decoy,GCR,Decoy,0,-7.74571,-7.01,-0.66,-6.81977591001099
Oc1ccc(Cl)cc1/C=[NH+]/CCC1=CCCCC1,C05943835_decoy,GCR,Decoy,0,-8.07351,-6.82,-0.62,-7.237402481090763
Nc1cc(C(F)F)nc2c(-c3ccccc3)cccc12,C61629685_decoy,GCR,Decoy,0,-5.22664,-9.73,-0.74,-7.486256780756637
Cc1cc(N)ccc1N(C)[C@@H](C)c1ccc(Cl)cc1,C62013901_decoy,GCR,Decoy,0,-8.17016,-7.31,-0.22,-7.2669174605935964
CN(CC(C)(C)C)c1ccc(C(N)=S)cc1Cl,C62795983_decoy,GCR,Decoy,0,-8.86075,-7.82,-0.74,-12.722852677534531
CCOc1c(N)cc([C@@H](C)CC)cc1Br,C66141153_decoy,GCR,Decoy,0,-7.63785,-6.07,-1.12,-6.747245429564822
Brc1ccc2[nH]c3c(Br)cc(Br)cc3c2c1,C00845399_decoy,GCR,Decoy,0,-9.37608,-7.32,-0.32,-8.533014779705201
FC(F)(F)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21,C04623281_decoy,GCR,Decoy,0,-9.7741,-3.97,-1.41,-3.961084516884874
FC(F)(F)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21,C04623276_decoy,GCR,Decoy,0,-10.1752,-3.4,-0.83,-4.14502942229072
FC(F)(F)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21,C04623283_decoy,GCR,Decoy,0,-9.8701,-3.68,-0.69,-3.998123262054107
[O-][S@@+]1c2ccccc2N[C@H](c2ccc3ccccc3c2)C[C@H]1c1ccccc1,C05593572_decoy,GCR,Decoy,0,-7.55381,-4.55,-1.0,-3.371969013020537
[O-][S@@+]1c2ccccc2N[C@H](c2ccc3ccccc3c2)C[C@@H]1c1ccccc1,C05593645_decoy,GCR,Decoy,0,-9.18661,-3.69,-2.03,-3.6314131083175023
Brc1ccc2c(c1)[C@@H]1C=C(c3ccccc3)NN1C1(CCCCC1)O2,C01883776_decoy,GCR,Decoy,0,-10.3624,-3.61,-2.83,-3.4924568545319
Cc1c(O)c(Br)c(Br)c(Br)c1Br,C00608306_decoy,GCR,Decoy,0,-9.10276,-5.1,-0.33,-6.674536891185674
CCOc1ccc(Br)c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1,C02113476_decoy,GCR,Decoy,0,-9.6498,-7.57,-1.74,-7.379933526175114
CCCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2,C02081602_decoy,GCR,Decoy,0,-10.9332,-5.56,-2.82,-4.843098274049962
CCc1c(C)sc(NC(=O)/C=C/c2ccc(Br)cc2)c1C(=O)OC(C)C,C08396940_decoy,GCR,Decoy,0,-10.3464,27.59,-1.84,6.765776725609523
O=C(/C=C/c1ccccc1Cl)c1cc(Br)cc(Br)c(=O)c1O,C08397912_decoy,GCR,Decoy,0,-11.4072,-4.19,-0.57,-5.015801788089016
Cc1ccc(/C=C/C(=O)c2cc(Br)cc(Br)c(=O)c2O)cc1,C08397932_decoy,GCR,Decoy,0,-11.1803,-7.72,-1.23,-12.243085232867148
Oc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1-c1nc2ccccc2s1,C02186745_decoy,GCR,Decoy,0,-11.8478,-4.51,-6.77,-4.6907101367425765
COC(=O)c1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CC[C@H](C)C2,C02108887_decoy,GCR,Decoy,0,-11.3787,-2.81,-1.9,-4.704833601686526
CN(C)c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1,C13643490_decoy,GCR,Decoy,0,-10.796,-4.33,-1.32,-4.494375961890963
Fc1ccccc1[C@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]12,C15228948_decoy,GCR,Decoy,0,-10.0167,-3.47,0.15,-3.369434970483199
Brc1ccc(C/N=c2\[nH]c3ccccc3s2)c(Br)c1,C04451421_decoy,GCR,Decoy,0,-9.77927,-6.72,-0.86,-7.007361491198044
C[C@H](Nc1cccc(I)c1)c1ccccc1Br,C20478936_decoy,GCR,Decoy,0,-8.61228,-6.69,-0.58,-7.336467232955512
Cc1ccc(CNc2c(Br)cc(Br)cc2Br)s1,C20504329_decoy,GCR,Decoy,0,-10.7304,-6.35,-0.76,-7.262066941540469
Brc1cc(Br)c(N[C@@H]2CCSC2)c(Br)c1,C20504511_decoy,GCR,Decoy,0,-10.5637,-5.85,-0.62,-9.610474986477993
Clc1cc(Br)cc(Cl)c1NC1CCC2(CC1)OCCO2,C20505599_decoy,GCR,Decoy,0,-9.97307,-8.09,-0.77,-7.553638395626224
FC(F)C(F)(F)CNc1c(Br)cc(Br)cc1Br,C20518654_decoy,GCR,Decoy,0,-8.50146,-5.89,-0.78,-8.350116987452397
CN[C@H](c1ccc(Br)s1)c1cc(Br)ccc1Br,C35467132_decoy,GCR,Decoy,0,-9.76694,-6.26,-0.77,-8.353128283644526
O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1csc(Br)c1,C36867933_decoy,GCR,Decoy,0,-10.2373,-7.67,-0.83,-8.268675296556651
Fc1ccc(Br)cc1CNc1ccc(Br)cc1Br,C36956762_decoy,GCR,Decoy,0,-9.66135,-6.95,-4.27,-6.605584983873787
Fc1cc(F)c(NCc2ccc(Br)s2)c(Br)c1,C36963795_decoy,GCR,Decoy,0,-9.13487,-5.84,-1.29,-7.160300722941678
CSc1ccc([C@@H](C)Nc2ccc(I)cc2C)cc1,C37057246_decoy,GCR,Decoy,0,-9.6683,-6.77,-0.55,-8.094345538167588
C[C@@H](Nc1ccc(I)cc1Cl)c1ccc(F)c(F)c1,C37105285_decoy,GCR,Decoy,0,-8.24905,-7.39,0.17,-7.375909121053707
Clc1ccc(CNc2cc(Br)ccc2Br)s1,C37121488_decoy,GCR,Decoy,0,-9.42806,-6.04,-3.56,-5.796355176744551
Clc1ccc([C@H](Nc2ccc(I)cc2)C2CC2)cc1,C37247606_decoy,GCR,Decoy,0,-8.9194,-7.4,-0.84,-8.235629908638618
Clc1ccc([C@H](Nc2cccc(I)c2)C2CC2)cc1,C37247977_decoy,GCR,Decoy,0,-8.69548,-6.91,-2.64,-7.391367357479196
Clc1cc(Br)cc(Cl)c1N[C@@H]1CSCc2ccccc21,C37249219_decoy,GCR,Decoy,0,-10.8597,-7.92,-0.78,-12.074158627187884
Clc1cc(Br)ccc1NC(c1cccs1)c1cccs1,C37252875_decoy,GCR,Decoy,0,-9.39562,-7.48,-1.48,-9.867945668464994
C[C@@H](Nc1c(F)cc(F)cc1Br)c1ccc(F)c(Br)c1,C37253196_decoy,GCR,Decoy,0,-8.54235,-8.27,-0.59,-8.155698711608997
C[C@H](Nc1cc(Br)ccc1F)c1ccc(F)c(Br)c1,C37262285_decoy,GCR,Decoy,0,-9.30646,-7.44,-4.26,-8.435922130577424
Cc1ccc(N[C@H]2CCSc3c(F)cccc32)cc1I,C37296893_decoy,GCR,Decoy,0,-9.75653,-7.63,-2.16,-10.162929870506895
Cc1cc(I)ccc1N[C@H](C)c1sccc1Br,C37297832_decoy,GCR,Decoy,0,-9.25701,-7.65,-1.16,-7.472190784421713
CC(C)[C@@H](Nc1ccc(I)cc1Cl)c1cccs1,C37313743_decoy,GCR,Decoy,0,-9.70968,-7.22,-0.84,-10.28681978653366
Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1cc(Br)ccc1Br,C37314839_decoy,GCR,Decoy,0,-10.3743,-8.33,-1.94,-12.17662243543914
C[C@@H](Nc1c(F)cc(F)cc1Br)c1cccc(Br)c1,C37392792_decoy,GCR,Decoy,0,-8.01428,-7.68,-1.22,-6.956147288516137
Fc1cc(F)c(NCc2cc(Br)ccc2F)c(Br)c1,C37392859_decoy,GCR,Decoy,0,-8.35107,-7.5,-0.79,-7.642612136563123
O[C@@H](c1cc(Cl)ccc1F)c1cc(Br)sc1Br,C40261075_decoy,GCR,Decoy,0,-10.1894,-6.9,-3.66,-7.647932616225415
O[C@@H](c1ccc(Br)s1)c1cc(Br)sc1Br,C40261173_decoy,GCR,Decoy,0,-11.1031,-5.72,-2.95,-5.8571697037608415
O[C@H](c1ccc(Br)s1)c1ccc(Br)cc1Cl,C40265118_decoy,GCR,Decoy,0,-9.67189,-5.9,-0.67,-6.086595581331734
Cc1ccc(C(=O)Nc2cc(Br)ccc2Br)cc1C,C48442207_decoy,GCR,Decoy,0,-9.40922,-8.51,-4.02,-8.845779162013615
C[C@H]1CCC[C@@]2(CS/C(=N\c3ccc(Br)cc3Br)N2)C1,C53100505_decoy,GCR,Decoy,0,-10.727,-8.27,-4.51,-9.32002767963684
CN[C@H](c1cc(Br)ccc1Br)c1cccc(F)c1F,C54190250_decoy,GCR,Decoy,0,-8.52574,-7.65,-3.45,-8.647451375078345
CN[C@@H](c1cc(Br)ccc1Br)c1cccc(F)c1F,C54190252_decoy,GCR,Decoy,0,-8.75466,-7.01,0.19,-8.074263706981563
Cc1ccccc1/N=C(\Nc1ccc(I)cc1)c1ccccc1,C08415576_decoy,GCR,Decoy,0,-8.2275,-7.66,-2.43,-6.960559126104749
BrC[C@H]1CCc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2C1,C02048201_decoy,GCR,Decoy,0,-11.3071,-7.66,-3.41,-6.559347929197951
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(I)cc2C)c(F)c1F,C08833267_decoy,GCR,Decoy,0,-10.087,-7.46,-2.65,-8.588683056913364
CCc1ccc(N2C(N)=C(C#N)[C@H](c3cc(C)sc3SC)C3=C2CCCC3=O)cc1,C09982296_decoy,GCR,Decoy,0,-10.8646,-3.83,-2.1,-4.464824594166115
O=C(c1cccc(-c2ncc[nH]2)c1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F,C11819236_decoy,GCR,Decoy,0,-9.54637,-4.55,-3.84,-4.668696068560618
O=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCc1cc2ccccc2s1,C11882367_decoy,GCR,Decoy,0,-8.16752,-7.77,-3.99,-5.993954584397822
CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1,C12371901_decoy,GCR,Decoy,0,-11.2346,-2.04,-1.9,-3.945022748297877
C[C@H](NC(=S)NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1,C12497120_decoy,GCR,Decoy,0,-9.5105,-9.15,-1.94,-9.01262310143358
CCOc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1,C12500428_decoy,GCR,Decoy,0,-11.4884,-8.57,-2.16,-8.847919647414516
CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C)cc1,C09721072_decoy,GCR,Decoy,0,-10.2834,-8.01,-2.79,-8.018159234681438
Cc1ccc(C(=O)NC(=S)Nc2ccc(OCC(C)C)cc2)cc1I,C14031930_decoy,GCR,Decoy,0,-11.0114,-8.44,-1.98,-15.39410021100498
Cc1cc(C)c(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C)c1,C14270114_decoy,GCR,Decoy,0,-12.7962,-6.25,-2.28,-7.1162642819072826
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)ccc1O)N2,C14461278_decoy,GCR,Decoy,0,-10.2505,-2.53,-4.96,-3.744033227027612
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1Br,C14647454_decoy,GCR,Decoy,0,-11.4356,-8.3,-2.39,-9.024003818444356
Cc1ccc(NC(=S)NC(=O)c2ccc(OCC(C)C)c(Br)c2)cc1Cl,C14653835_decoy,GCR,Decoy,0,-12.5234,-7.58,-2.43,-13.198725352971092
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1Br,C14653886_decoy,GCR,Decoy,0,-11.7682,-8.19,-1.81,-8.653303058278992
CSc1ccc(Cl)c(C(=O)NNC(=O)CSc2cc(Cl)ccc2Cl)c1,C15465066_decoy,GCR,Decoy,0,-11.6981,-8.54,-3.7,-9.051752784065217
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(F)cc1,C16428183_decoy,GCR,Decoy,0,-10.4971,-3.98,-2.38,-4.5696232959120415
N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cccs1,C19927409_decoy,GCR,Decoy,0,-9.97089,-2.93,-0.75,-3.768534157950079
Cc1ccc(/C=C2/Sc3ccc(C(=O)N[C@@H]4CCCc5ccccc54)cc3NC2=O)cc1,C20355259_decoy,GCR,Decoy,0,-7.72611,-4.48,-1.73,-3.954463445003963
Cc1ccc(Cn2c(C)c(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)c(C(=O)[O-])c2C)cc1,C20415610_decoy,GCR,Decoy,0,-9.65966,-3.7,-2.14,-4.64065953954159
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2,C20696501_decoy,GCR,Decoy,0,-11.1556,-11.17,-2.44,-10.55293057928034
O=C1Nc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2S/C1=C/c1ccccc1Cl,C20735176_decoy,GCR,Decoy,0,-10.6856,-4.34,-1.42,-4.469941046063285
COCCNC(=O)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21,C20753822_decoy,GCR,Decoy,0,-10.6452,-5.14,-3.97,-5.462734032255539
O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1,C20968716_decoy,GCR,Decoy,0,-12.3605,-7.9,-1.63,-8.726022005606945
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(C4SCCCS4)cc3)cc2C1,C22977139_decoy,GCR,Decoy,0,-12.8021,9.32,-2.56,-1.0561561131393495
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CCSc2ccc(F)cc21,C24654442_decoy,GCR,Decoy,0,-8.44397,-3.52,-3.93,-3.8924675935777695
CSCC[C@H](NC(=O)/C=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1,C26752512_decoy,GCR,Decoy,0,-11.2004,-4.22,-1.58,-7.074565919149664
O=C1C[C@@H](CNc2ccc(CCNc3ccc(Br)cc3)cc2)C2(CCCCC2)O1,C27528753_decoy,GCR,Decoy,0,-11.0998,-6.61,-1.59,-6.689969222510612
O=C(Nc1ccsc1C(=O)NCCc1cccs1)c1ccc(Br)cc1,C32932516_decoy,GCR,Decoy,0,-11.5078,-4.67,-2.04,-5.723423910594586
O[C@@H](CNc1c(Br)cc(Br)cc1Br)COCc1ccco1,C37885264_decoy,GCR,Decoy,0,-10.5721,-7.58,-1.34,-8.200454154773572
CCOC1=C/C(=C/NNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)C=C(Cl)C1=O,C16688261_decoy,GCR,Decoy,0,-9.21886,-8.19,-4.66,-8.310498265764101
CC(C)[C@H](C)NC(=O)c1cc(Br)c(C(=O)N[C@H](C)C(C)C)cc1Br,C22685002_decoy,GCR,Decoy,0,-11.1244,-8.26,-0.93,-15.189295777467482
O=CC[C@@H](NC=O)c1ccc(-c2ccccc2O)c(Br)c1Cc1ccccc1,C39495388_decoy,GCR,Decoy,0,-10.1604,-4.25,-2.49,-5.004720873551105
O=CC[C@H](NC=O)c1ccc(-c2ccccc2O)c(I)c1Cc1ccccc1,C39495421_decoy,GCR,Decoy,0,-10.1589,-3.8,-3.86,-4.657049706550554
O=CC[C@H](NC=O)c1ccc(I)c(Cc2ccccc2)c1-c1ccccc1O,C39495523_decoy,GCR,Decoy,0,-10.6498,-3.88,-4.14,-5.205455098962659
O=CC[C@@H](NC=O)c1ccc(Cc2ccccc2)c(Br)c1-c1ccccc1O,C39495684_decoy,GCR,Decoy,0,-10.5402,-3.68,-1.87,-5.104218346005272
CCCCN([C@@H](C)CC)S(=O)(=O)c1c(Br)cc(N)cc1Br,C40318650_decoy,GCR,Decoy,0,-9.60275,-6.24,-1.69,-11.704160272301715
CC(C)Oc1c(Br)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1Br,C40730546_decoy,GCR,Decoy,0,-10.806,-7.93,-2.72,-8.775127486770176
N#Cc1cc(N)c(OCCOc2cccc(Br)c2)c(I)c1,C43415510_decoy,GCR,Decoy,0,-9.62722,-8.3,-0.68,-15.25671950599364
N#CC1(NC(=O)CNc2cc(Br)ccc2I)CCCC1,C49066684_decoy,GCR,Decoy,0,-9.78928,-7.98,-2.15,-12.326433407824076
Nc1snnc1COc1c(Br)cc(Br)cc1Br,C50830175_decoy,GCR,Decoy,0,-10.5089,-6.64,-0.79,-10.25110619289364
C[C@@H]1CCC[C@](CO)(NC(=O)c2cc(Br)ccc2I)C1,C53106566_decoy,GCR,Decoy,0,-10.3041,-8.78,-0.53,-17.008949064787405
Cc1ccc(NC(=O)c2ccccc2SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1,C02653299_decoy,GCR,Decoy,0,-11.6928,-9.24,-2.97,-8.955301690393975
O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc3ncccc3c2)N1,C09087025_decoy,GCR,Decoy,0,-6.64452,-3.53,-3.81,-3.0351686358531254
C/C(=N\NC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2,C58916955_decoy,GCR,Decoy,0,-11.1547,-4.76,-2.19,-5.454997756193786
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H](C)c1ccc2ccccc2c1,C59359255_decoy,GCR,Decoy,0,-8.59201,-8.17,-4.23,-7.226219222215352
C[C@H](NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl)c1ccc(NC(=O)C2CC2)cc1,C59392930_decoy,GCR,Decoy,0,-11.0059,-7.3,-2.51,-8.297273361962226
O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Br)ccc1Br,C59434845_decoy,GCR,Decoy,0,-10.5048,-8.03,-1.79,-7.670970829080359
C[C@@]([NH2+]Cc1ccc(Br)s1)(C(=O)[O-])c1ccc(F)c(Br)c1,C61690095_decoy,GCR,Decoy,0,-9.29266,-6.9,-0.74,-12.76441478752845
C=Cc1ccc(Cn2c(C(=O)[O-])c(C[NH2+][C@H]3CCCc4ccccc43)c3ccccc32)cc1,C09833353_decoy,GCR,Decoy,0,-9.63399,-11.01,-4.73,-9.588578772212273
CC1=CC[C@@H](C(=O)N/N=C/c2ccncc2)[C@@H](c2ccc(F)cc2)C1,C03903764_decoy,GCR,Decoy,0,-8.71819,-4.05,-2.21,-4.286088689934783
Cc1[nH]c2ccc(-c3nnc(SCc4ccccc4)o3)cc2c1C,C00221662_decoy,GCR,Decoy,0,-9.95203,-9.57,-1.16,-8.186826678273166
Cc1nc(-c2ccccc2)nc(N/N=C/c2ccccc2Cl)c1C,C04595687_decoy,GCR,Decoy,0,-7.79427,-4.01,-1.9,-3.733374427382646
O=C(NC1CCCC1)c1ccc(COc2cccc3ccccc23)o1,C00484250_decoy,GCR,Decoy,0,-8.94056,-8.64,-3.85,-8.109892705376222
O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cn1,C03450712_decoy,GCR,Decoy,0,-9.67152,-3.17,-1.24,-4.29953413002232
N#Cc1c2c(c(NCCc3ccccc3)n3c1nc1ccccc13)CCC2,C00787991_decoy,GCR,Decoy,0,-8.71829,-7.19,-1.83,-8.722107679835648
COc1ccccc1Nc1ncnc2scc(-c3ccccc3)c12,C00221364_decoy,GCR,Decoy,0,-9.19075,-7.28,-2.95,-9.248449338584066
CCc1cccc(C)c1Nc1c(-c2cccs2)nc2cnccn12,C04733454_decoy,GCR,Decoy,0,-8.08801,-7.76,-4.48,-7.779305187854584
O=C1N=C(Nc2cccc(Cl)c2)S/C1=C/C=C/c1ccco1,C04745943_decoy,GCR,Decoy,0,-8.82231,-8.29,-3.87,-7.196082472619128
COc1cc(OC)c(NC(=O)c2cc3c(s2)CCCC3)cc1Cl,C01054532_decoy,GCR,Decoy,0,-9.7376,-7.52,-1.81,-7.701152377528691
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1,C00143560_decoy,GCR,Decoy,0,-8.91362,-4.95,-1.37,-5.113922011039325
CCc1ccccc1N[C@@H]1c2ccccc2C(=O)N1c1ccc(C)cn1,C04916927_decoy,GCR,Decoy,0,-8.0452,-8.13,-5.19,-8.770261429685355
CSc1nc(NCC(C)C)c2c3c(sc2n1)COC(C)(C)C3,C00536993_decoy,GCR,Decoy,0,-9.86878,-2.2,-3.59,-3.897944194888594
COc1ccc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)c1,C03174953_decoy,GCR,Decoy,0,-9.52785,-3.72,-2.1,-4.152227359406935
Cc1cc(C)cc(OCC(=O)N/N=C/c2c(F)cccc2Cl)c1,C05539310_decoy,GCR,Decoy,0,-8.88264,-5.51,-0.9,-5.828788067641558
Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2c(F)cccc2Cl)cc1,C05752658_decoy,GCR,Decoy,0,-9.19902,-6.55,-1.74,-5.602749557402347
O=C(Nc1ccc(OC(F)F)cc1)c1c2c(nc3ccccc13)CCC2,C07407113_decoy,GCR,Decoy,0,-8.33079,-3.27,-4.2,-3.746727269309684
CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2O1,C07749156_decoy,GCR,Decoy,0,-8.76968,-6.73,,99.0
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCCCC1,C07912543_decoy,GCR,Decoy,0,-9.80939,-4.14,-2.67,-4.472499078132736
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl,C08199019_decoy,GCR,Decoy,0,-8.83857,-3.2,-5.09,-3.852805203480105
Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1,C00947394_decoy,GCR,Decoy,0,-9.17418,-4.51,-5.35,-4.226427965869713
O=C(COC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1,C07973886_decoy,GCR,Decoy,0,-9.92053,-9.33,-1.1,-8.449251283933586
C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1,C12796288_decoy,GCR,Decoy,0,-9.28692,-7.29,-3.02,-7.21218402103977
COc1ccc(/C=N/Nc2nc3ccc4ccccc4c3s2)cc1,C17124675_decoy,GCR,Decoy,0,-11.0339,-6.03,-2.97,-5.5676241240302575
CSc1nc(NCC(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1,C19820498_decoy,GCR,Decoy,0,-9.53802,-8.05,-5.2,-10.18577521971375
c1ccc(-c2cc(NC3CCCCC3)nc(-c3ccncc3)n2)cc1,C01503744_decoy,GCR,Decoy,0,-8.86446,-3.4,-1.41,-3.696327801754152
O=[N+]([O-])c1ccc(NCc2ccc(Cl)c(Cl)c2)c(Cl)c1,C36970988_decoy,GCR,Decoy,0,-8.99813,-7.01,-1.88,-6.492069941791129
C[C@@H](Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(Br)cc1,C37076772_decoy,GCR,Decoy,0,-7.68523,-7.07,-0.78,-7.549813467196296
Cc1ccc(Br)cc1N[C@@H](C)c1ccc([N+](=O)[O-])cc1,C37091076_decoy,GCR,Decoy,0,-7.29476,-2.69,-0.77,-3.270636248829694
O=[N+]([O-])c1ccc(NCc2c(F)cccc2Cl)c(Br)c1,C37131324_decoy,GCR,Decoy,0,-7.91771,-7.75,-0.94,-11.294466832050338
C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(F)c1,C37131380_decoy,GCR,Decoy,0,-7.60891,-7.92,-0.67,-11.335133604253867
C[C@H](Nc1cccc([N+](=O)[O-])c1)c1cc(F)c(Cl)cc1Cl,C37298331_decoy,GCR,Decoy,0,-8.3567,-8.07,-1.18,-7.842459730166922
CCOC(=O)N1CCC(Nc2cc(Br)ccc2C)CC1,C37305547_decoy,GCR,Decoy,0,-8.68198,-7.52,-1.58,-7.75078918097799
C[C@@H](Nc1c(F)cc(F)cc1Br)c1ccccc1[N+](=O)[O-],C37392595_decoy,GCR,Decoy,0,-6.59027,-7.51,-0.23,-10.322174916782526
Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Br)cc1C,C37516315_decoy,GCR,Decoy,0,-7.56018,-2.56,-0.43,-3.4523939771507
COC(=O)c1sc(Nc2ccc(Cl)cc2Cl)nc1Cl,C37579015_decoy,GCR,Decoy,0,-9.72601,-2.53,-1.93,-3.911369515341221
COC(=O)c1sc(Nc2cc(Br)ccc2F)nc1Cl,C37579402_decoy,GCR,Decoy,0,-9.59891,-3.46,-1.44,-4.015116762177693
O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)c1ccc(O)cc1,C01071740_decoy,GCR,Decoy,0,-9.47214,-3.87,-2.44,-4.615431111980088
CC(C)C[C@H](C)NC(=O)c1ccc(-c2ccc3c(c2)OCO3)s1,C22351505_decoy,GCR,Decoy,0,-9.97793,-8.49,-1.91,-8.999328311513935
CCc1ccc2occ(CC(=O)Nc3sc4c(c3C#N)CCCC4)c2c1,C39883440_decoy,GCR,Decoy,0,-10.3622,-8.08,-1.07,-8.740903908711658
Cc1nc(-c2ccccn2)nc(NCCC2CCCCC2)c1Cl,C40897648_decoy,GCR,Decoy,0,-8.66069,-6.34,-1.96,-5.675665868936587
Cc1cc(OC(C)C)ccc1NC(=O)N(C)Cc1sccc1C,C48121100_decoy,GCR,Decoy,0,-8.79581,-9.25,-1.03,-14.279096675165835
Cc1cccc(N/C(C(Cl)=C(Cl)Cl)=C(\Cl)[N+](=O)[O-])c1,C03048052_decoy,GCR,Decoy,0,-8.56765,-7.46,-4.47,-8.572916892680428
O=[N+]([O-])c1ccc(CNc2ccc(Br)cc2Cl)cc1,C37388792_decoy,GCR,Decoy,0,-7.91932,-6.72,-1.05,-6.842636827460931
Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(OC(F)F)c2)cc1,C61185213_decoy,GCR,Decoy,0,-7.44974,-4.43,-3.83,-4.278034845209391
CCCc1ccc(-c2nc3sc(C(C)(C)C)nn3c2CO)cc1,C62397821_decoy,GCR,Decoy,0,-9.21492,0.23,-2.26,-4.027518895305756
CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1ncc(C(F)(F)F)cc1Cl,C63278245_decoy,GCR,Decoy,0,-8.26624,-8.2,-5.37,-8.142990939802877
CC[C@@H]1CCCCN1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1,C66341133_decoy,GCR,Decoy,0,-8.68136,-6.95,-0.6,-9.224617565478315
COc1ccc([C@@H](NC(=O)N2CCSCC2)c2ccc(C)cc2)cc1,C66361634_decoy,GCR,Decoy,0,-8.67455,-1.17,-3.45,-3.1374082136014527
Cc1ncsc1CN(C)C(=O)N[C@H](C)c1ccc(C(C)C)cc1,C66595782_decoy,GCR,Decoy,0,-8.94232,-7.72,-2.31,-8.435526926675427
Oc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1,C01637751_decoy,GCR,Decoy,0,-9.95689,-4.16,-2.48,-4.693288289005583
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3cccc(Cl)c3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl,C08426171_decoy,GCR,Decoy,0,-3.88862,-4.16,-1.94,-2.4517421375052013
O=C(Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12)c1ccc(Cl)cc1,C02158775_decoy,GCR,Decoy,0,-12.3693,-7.55,-2.25,-10.575823099057615
Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4O)c3)nc2c1,C08448792_decoy,GCR,Decoy,0,-11.9918,-5.24,-4.56,-5.206004219918661
O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc2ccccc12,C02727015_decoy,GCR,Decoy,0,-10.7256,-6.69,-3.27,-6.50329497822181
Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1Cl,C08901356_decoy,GCR,Decoy,0,-13.2506,-3.49,-5.33,-5.291185693058374
O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc(I)cc2)o1,C08935027_decoy,GCR,Decoy,0,-11.6832,-8.01,-2.39,-7.310933271388365
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1,C09311238_decoy,GCR,Decoy,0,-6.27973,-4.17,-2.82,-3.313194269683643
O=C(CSC1=NC2(CCCCCC2)N=C1c1ccc(Cl)c(Cl)c1)Nc1ccccc1,C09599265_decoy,GCR,Decoy,0,-11.8108,-3.77,-2.57,-4.862434915617227
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1,C03084807_decoy,GCR,Decoy,0,-11.8364,-7.3,-3.4,-6.6470643701841245
C/C(=N/Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1ccc(Cl)c(Cl)c1,C12378981_decoy,GCR,Decoy,0,-7.51752,-4.68,-3.3,-3.660555281904601
COc1ccc(-c2nc(-c3ccc(I)cc3)[nH]c2-c2ccc(OC)cc2)cc1,C02839591_decoy,GCR,Decoy,0,-7.64637,-3.84,-1.55,-3.6275928832323823
O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@@H]2c2ccccc2)[C@@H]1Cl,C13810008_decoy,GCR,Decoy,0,-2.61312,-4.04,-3.97,-1.832294224869985
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1-c1nc2ccccc2s1,C14277525_decoy,GCR,Decoy,0,-7.93433,-4.43,-4.65,-4.046600227673318
O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(-c2nc3ccccc3s2)cc1,C14277631_decoy,GCR,Decoy,0,-13.4176,16.36,-5.1,0.978251990677473
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1,C03084981_decoy,GCR,Decoy,0,-11.8723,-2.68,-1.01,-3.877386980070193
Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)c1,C15773332_decoy,GCR,Decoy,0,-9.61673,-3.85,-2.34,-4.376818531304644
Oc1ccc(Br)cc1/C=N/c1cccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c1,C15773859_decoy,GCR,Decoy,0,-9.4087,-1.94,-2.95,-3.378438760418791
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C,C01844814_decoy,GCR,Decoy,0,-12.3199,-3.58,-4.3,-4.873702879802859
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,C02593082_decoy,GCR,Decoy,0,-12.9112,9.88,-1.59,-1.0424045887581137
COc1c(Cl)cc(Cl)cc1[C@H](Nc1ccc(Cl)c(Cl)c1)P1(=S)OCC(C)(C)CO1,C03651881_decoy,GCR,Decoy,0,-10.4139,-3.77,-3.39,-4.675528887132917
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1,C20179427_decoy,GCR,Decoy,0,-8.71478,-0.3,-2.58,-3.3582814670382426
CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCCCCCCCC2,C02758587_decoy,GCR,Decoy,0,-12.6556,-2.37,-1.53,-5.195274866385698
CCN(C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)c1ccccc1n3CC)N2)c1ccccc1,C20685657_decoy,GCR,Decoy,0,-6.70836,-3.83,-2.35,-3.232110730383144
O=C(Nc1ccc(Br)cc1)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@@H]1c1ccccc1,C21917858_decoy,GCR,Decoy,0,-5.5452,-3.59,-3.47,-2.558011514566338
O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1c1ccc(-c2ccccc2)cc1,C03274289_decoy,GCR,Decoy,0,-11.4115,-3.99,-7.0,-4.5650030719998185
Cc1ccc(Cl)cc1NC(=O)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@H]1c1cccs1,C33042628_decoy,GCR,Decoy,0,-9.52104,-5.85,-3.06,-5.08159813634932
Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)N[C@H]4CCC[C@@H](C)[C@@H]4C)cc3)Sc3ccccc32)cc1,C36209928_decoy,GCR,Decoy,0,-7.02071,-5.34,-2.57,-3.745468980369167
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(C(=O)N(C)c5ccccc5)cc4[C@H]4C=CC[C@@H]43)ccc21,C36551031_decoy,GCR,Decoy,0,-7.46066,-4.78,-4.05,-3.965503976795485
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2sc3cccc(Cl)c3c2Cl)cc1F,C39868418_decoy,GCR,Decoy,0,-9.34445,-3.66,-2.77,-4.12456803707334
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N/N=C(\C)c4ccc(Cl)cc4Cl)c3c2C1,C48533819_decoy,GCR,Decoy,0,-11.5429,-3.01,-2.73,-4.724804030689285
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc21,C09057812_decoy,GCR,Decoy,0,-9.55171,-6.94,-2.33,-5.094454753497315
CC(C)c1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@H]3C=C(c4ccccc4)NN32)cc1,C01782790_decoy,GCR,Decoy,0,-7.8704,-2.46,-3.58,-3.0258432866900407
C=CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3C=C(c4ccc(Cl)cc4)NN23)cc1,C01815231_decoy,GCR,Decoy,0,-8.64993,6.82,-1.09,-0.5385708877408601
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc2c1,C16610607_decoy,GCR,Decoy,0,-13.3097,9.17,-1.42,-1.3776784398515989
Cc1ccc(/N=C\C=C(\Nc2ccc(C)c(Cl)c2)c2ccc(Br)cc2)cc1Cl,C16312804_decoy,GCR,Decoy,0,-6.69689,-3.51,-3.86,-2.6036010098417504
Cc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1O,C02901655_decoy,GCR,Decoy,0,-11.6237,-3.86,-5.01,-4.544838509370583
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1Cl,C22715602_decoy,GCR,Decoy,0,-13.3503,-3.38,-3.81,-5.379407323649952
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cl)cc(Br)c1O,C02053509_decoy,GCR,Decoy,0,-12.2818,-3.96,-2.14,-4.751976570955122
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1,C59247979_decoy,GCR,Decoy,0,-6.85698,-1.98,-1.66,-2.836400527350555
N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl,C59248163_decoy,GCR,Decoy,0,-10.9187,-4.31,-2.62,-5.3281583099916086
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C,C59249956_decoy,GCR,Decoy,0,-12.1614,-4.33,-2.33,-5.6906360958908575
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/c4ccc(Cl)cc4)c3C)sc3c2CCCC3)cc1,C59250337_decoy,GCR,Decoy,0,-7.46368,-3.4,-4.55,-3.555668472010051
Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Br)cc4)c3)oc2cc1C,C59476624_decoy,GCR,Decoy,0,-10.9117,-3.71,-2.1,-4.171444132755904
Oc1ccc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1,C59488369_decoy,GCR,Decoy,0,-12.5493,-7.48,-1.19,-7.50434104879948
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/c4ccccc4C)c3C)sc3c2CCCC3)cc1,C59679081_decoy,GCR,Decoy,0,-6.9953,-3.04,-1.73,-3.2629727134931903
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/c4cccc(Cl)c4C)c3C)sc3c2CCCC3)cc1,C59679169_decoy,GCR,Decoy,0,-12.4917,-3.97,-3.66,-5.113549348442806
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/c4ccc(C)c(C)c4)c3C)sc3c2CCCC3)cc1,C59679538_decoy,GCR,Decoy,0,-7.41363,-1.72,-2.33,-2.9254141598752765
Cc1nc(Nc2ccc(I)cc2C)c2c(-c3ccc(F)cc3)c(C)sc2n1,C62040001_decoy,GCR,Decoy,0,-11.6623,-3.27,-1.96,-4.211382233766562
CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1Br,C13880833_decoy,GCR,Decoy,0,-11.2745,-3.68,-2.8,-4.5680290648812525
O=C([O-])CCC(=O)N1N=C(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1,C09007577_decoy,GCR,Decoy,0,-6.79308,-4.94,-3.38,-4.056387710208638
C[C@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F,C13016819_decoy,GCR,Decoy,0,-9.42249,-2.35,-3.49,-3.963241546987188
C[C@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1cc(F)ccc1F,C13016825_decoy,GCR,Decoy,0,-7.28817,-3.38,-2.43,-3.500280989989764
C[C@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1,C13016835_decoy,GCR,Decoy,0,-6.96241,-4.37,-4.5,-3.946587371160388
O=C([O-])c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(Br)cc3)nc2c1,C13280391_decoy,GCR,Decoy,0,-8.65517,-2.64,-4.12,-3.77781180733043
Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3,C13345588_decoy,GCR,Decoy,0,-11.4016,-3.96,-4.71,-5.095098909050729
CC[C@@H](C)n1c(SCC(=O)NCc2ccc(C(=O)[O-])cc2)nc2sc3c(c2c1=O)CCCCC3,C13347863_decoy,GCR,Decoy,0,-10.1071,-5.4,-2.22,-6.399391499111673
Cc1ccsc1[C@@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2c1c(C)nn2-c1ccccc1C(=O)[O-],C18198850_decoy,GCR,Decoy,0,-6.61579,12.67,-3.77,1.556479815470563
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C,C08987919_decoy,GCR,Decoy,0,-10.3085,-3.4,-3.94,-4.390554913851501
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C([O-])=NC2=S)cc1C,C08997244_decoy,GCR,Decoy,0,-7.53628,-3.45,-2.89,-3.1509980783272127
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cc(C)cc(C)c4)C(=S)N=C3[O-])c2C)cc1,C20169032_decoy,GCR,Decoy,0,-10.3676,-3.18,-4.7,-4.210577400057515
O=C1N=C([O-])/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1,C08739460_decoy,GCR,Decoy,0,-6.13861,-10.82,-4.22,-5.576265173433724
Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=S)N=C3[O-])c2C)c1C,C20418002_decoy,GCR,Decoy,0,-9.69887,-3.62,-4.88,-3.956750131456425
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1,C09358905_decoy,GCR,Decoy,0,-9.03602,-4.85,-4.65,-4.285362972226161
O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])SC(=S)N1c1cccc(C(F)(F)F)c1,C22034067_decoy,GCR,Decoy,0,-11.0394,-8.52,-0.8,-8.087201198816896
O=C(N/N=C\c1cc(Br)c([O-])c(Br)c1)[C@@H]1COc2cc3ccccc3cc2O1,C30802511_decoy,GCR,Decoy,0,-10.1857,-4.16,-1.96,-4.632786842490651
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3cccc(O)c3)sc2c1,C33547526_decoy,GCR,Decoy,0,-11.2436,-3.84,-3.69,-4.935688331253421
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(N(C)C)cc3)sc2c1,C33547982_decoy,GCR,Decoy,0,-7.04771,-3.47,-3.78,-3.47463462351262
CCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,C33769183_decoy,GCR,Decoy,0,-10.8678,-2.67,-4.06,-4.283577510470543
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(Cl)cc4s3)[C@@H]2c2cccnc2)c1,C33789956_decoy,GCR,Decoy,0,-12.08,-3.56,,99.0
CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(/C=C(\[O-])N[C@H]3CCCc4ccccc43)=CSC2=N1,C34922975_decoy,GCR,Decoy,0,-12.5646,-7.46,-3.82,-12.364010833494913
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccs1)c1ccc2c(c1)OCCO2,C09459771_decoy,GCR,Decoy,0,-12.5228,15.41,-2.51,0.8989631014685237
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4sc(C)nc4C)[C@@H]3c3cc(C)c(O)c(C)c3)sc2c1,C35566476_decoy,GCR,Decoy,0,-6.99174,-3.37,-2.61,-3.261784693332152
CCOc1cc(OCC)c(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1Br,C35656298_decoy,GCR,Decoy,0,-11.1994,-1.74,-3.5,-4.2883374893582165
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@@H]1c1cccs1,C35692886_decoy,GCR,Decoy,0,-11.9221,-7.87,-2.85,-9.542037105433565
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@H]1c1cccs1,C35692888_decoy,GCR,Decoy,0,-9.61401,-3.05,-3.37,-4.665205718164854
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1ccc(C(F)(F)F)cc1,C36050203_decoy,GCR,Decoy,0,-11.5799,-2.62,-3.23,-4.968075139929093
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)N2C(/C=C(\[O-])NC[C@@H]3CCCO3)=CSC2=N1,C36063449_decoy,GCR,Decoy,0,-10.6916,-1.95,-1.39,-4.419152306829841
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2[O-])cc1Cl,C36496331_decoy,GCR,Decoy,0,-7.53292,-3.3,-5.44,-3.151758026505642
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N=C3[O-])c2C)cc1,C13801479_decoy,GCR,Decoy,0,-6.7172,-3.22,-3.55,-3.321417238330863
Cc1c(-c2ccccc2O)c2c(n1[O-])-c1nc3ccccc3c(S(=O)(=O)c3ccccc3)c1C(=O)CC2,C39457618_decoy,GCR,Decoy,0,-6.8438,-4.47,-3.02,-2.819784641285352
CCOC(=O)[C@H]1C2=C(CCCCC2)S[C@H]1NC(=O)[C@@H](C)Sc1nc([O-])cc(-c2ccccc2)n1,C39724675_decoy,GCR,Decoy,0,-12.5146,-3.82,-3.89,-5.8298700698876535
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccc(F)cc1)c1ccco1,C39835339_decoy,GCR,Decoy,0,-10.7622,-3.72,-3.33,-4.642372149404664
Cc1ccc(Sc2nc(C)c(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3)s2)cc1,C39991667_decoy,GCR,Decoy,0,-10.0278,-3.5,-3.31,-4.785942484025037
Cc1ccc(Sc2nc(C)c(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccccc3)s2)cc1,C39991669_decoy,GCR,Decoy,0,-10.8716,-3.22,-1.52,-4.936369383899695
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(SC)s2)cc1,C39998017_decoy,GCR,Decoy,0,-8.368,3.33,-3.45,-1.7037552953251978
O=C(C1=C([O-])C(=O)N(c2nnc(SC/C=C/c3ccccc3)s2)[C@H]1c1cccnc1)c1ccccc1,C40000569_decoy,GCR,Decoy,0,-12.6402,23.35,-3.75,4.875735550962903
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1,C40450497_decoy,GCR,Decoy,0,-6.49167,-3.97,-1.94,-3.4100787694150885
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1,C00861693_decoy,GCR,Decoy,0,-5.91443,-4.89,-3.71,-3.777079885145108
O=C1N=C([O-])/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccc(Br)cc1,C01294991_decoy,GCR,Decoy,0,-6.51301,-4.6,-4.93,-3.277142659015733
O=C(/N=c1\[nH]c2ccc(Br)cc2s1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2,C02276537_decoy,GCR,Decoy,0,-9.38339,-3.77,-4.18,-4.252962551290642
O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3)/C(=N/c3ccc(Cl)cc3)S2)cc1,C34847733_decoy,GCR,Decoy,0,-7.8491,-3.09,-2.69,-3.809757086527497
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)S\C1=N/c1ccc(OC)cc1,C59105366_decoy,GCR,Decoy,0,-6.81624,6.26,-3.82,-0.174144535924803
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C([O-])=NC1=S,C59137415_decoy,GCR,Decoy,0,-10.1426,-4.39,-5.46,-4.290170398913633
Cc1ccc(/N=C2/N=C([O-])/C(=C3/C(=O)N(Cc4ccccc4)c4ccc(Br)cc43)S2)c(C)c1,C59145954_decoy,GCR,Decoy,0,-6.94025,-3.47,-4.34,-3.0370798348269283
O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1[O-],C59153013_decoy,GCR,Decoy,0,-10.7577,-6.39,-2.65,-6.175521469455347
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2[O-])c1C,C59198414_decoy,GCR,Decoy,0,-12.717,-4.02,-5.17,-5.132102891692819
CCOC(=O)C1=C([O-])/C(=C/c2cc(OCC)c(O)cc2Br)S/C1=N\c1ccc(C)cc1,C59247251_decoy,GCR,Decoy,0,-7.65983,-2.6,-3.38,-3.3283003548856773
C=CCc1cc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)cc(OC)c1OCC(=O)[O-],C59249458_decoy,GCR,Decoy,0,-11.189,-8.5,-4.43,-9.295683950025648
COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Br)c(C)c2C)C(=O)N=C1[O-],C59860617_decoy,GCR,Decoy,0,-10.796,-4.88,-2.64,-4.643551097040548
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@]3(C)CC3(Br)Br)c2C(=O)OC)C1,C02090188_decoy,GCR,Decoy,0,-11.2965,0.95,-2.92,-4.453396628213159
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(I)cc1,C08765631_decoy,GCR,Decoy,0,-7.32424,-3.43,-1.31,-3.524077357896233
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl,C08820428_decoy,GCR,Decoy,0,-12.2782,-4.18,-4.11,-4.9516687998228015
CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O,C08919461_decoy,GCR,Decoy,0,-6.43439,-4.36,-1.68,-3.320510433083724
C[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCC3)c1nc2scc(-c3cccs3)c2c(=O)[nH]1,C09138374_decoy,GCR,Decoy,0,-7.92982,-4.96,-5.18,-3.727813490785088
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(I)o3)C2=O)cc1Cl,C09233568_decoy,GCR,Decoy,0,-11.1386,-6.68,-3.34,-7.018492046071977
O=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)C(F)F)cc1,C09653626_decoy,GCR,Decoy,0,-9.36481,-4.43,-2.42,-4.912840567635818
C[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1,C10619090_decoy,GCR,Decoy,0,-6.79817,-3.34,-3.53,-3.109415545174748
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21,C12402274_decoy,GCR,Decoy,0,-6.00605,-1.55,-3.57,-2.2358898604165263
C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN(O)C[C@H]4C(=O)O[C@H]5C[C@@]6(C)CCCC(=C)[C@@H]6C[C@@H]54)[C@@H]3C[C@H]12,C12879832_decoy,GCR,Decoy,0,-12.5248,-3.26,-1.96,-4.631925205125837
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1,C13810015_decoy,GCR,Decoy,0,-10.0854,-8.83,-4.74,-7.002771384765416
O=C(CSC1=N/C(=C/c2cccs2)C(=O)N1C1CCCCC1)Nc1ccc(Cl)cc1Cl,C02785480_decoy,GCR,Decoy,0,-10.6725,-3.76,-4.41,-4.977815039293885
Cc1sc2nc([C@H](C)Sc3nc4ccccc4c(=O)n3-c3ccccc3Cl)[nH]c(=O)c2c1C,C15274888_decoy,GCR,Decoy,0,-6.02696,-6.75,-2.31,-3.9501814413421146
C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN(O)C[C@H]4C(=O)O[C@@H]5C[C@]6(C)CCCC(=C)[C@H]6C[C@H]54)[C@@H]3C[C@H]12,C15958786_decoy,GCR,Decoy,0,-7.08476,-6.36,,99.0
O=C(Nc1ccccc1C(F)(F)F)N1CCC2(CC1)SCCN2C(=O)c1ccc(C(F)(F)F)cc1,C16491266_decoy,GCR,Decoy,0,-8.20317,-4.85,-3.91,-4.48277147511882
C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1F)CCCC3)C(=O)NCc1cccs1,C16749231_decoy,GCR,Decoy,0,-7.64097,-4.37,-4.79,-4.140540722730196
O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Br)c2ccc(Br)cc21)c1ccco1,C17086640_decoy,GCR,Decoy,0,-10.9042,-9.08,-1.31,-9.625966417137176
Cc1ccc(CCNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)S3)cc1,C20180543_decoy,GCR,Decoy,0,-11.3413,-4.22,-2.17,-4.9439604578795935
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(=O)[C@@]2(NC(=O)c1ccncc1)C(F)(F)F,C20568300_decoy,GCR,Decoy,0,-7.12253,-2.85,-2.56,-3.19058878744641
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(Br)cc21)c1ccccn1,C21342979_decoy,GCR,Decoy,0,-10.8261,-4.02,-1.98,-4.964328229754568
O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(Br)cc21)c1ccncc1,C21342989_decoy,GCR,Decoy,0,-10.984,-7.22,-3.3,-7.813000026013829
O=C1[C@@H]2C3c4ccccc4C(/C=N/CCO)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1,C15133794_decoy,GCR,Decoy,0,-7.78284,1.67,,99.0
O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(Cc2c(O)ccc3ccncc23)CC1,C24528356_decoy,GCR,Decoy,0,-10.1051,-3.43,-7.2,-4.0638715620460975
Cc1cc(NC(=O)c2cc(Br)ccc2I)ccc1N1CCCC1=O,C24965962_decoy,GCR,Decoy,0,-11.2446,-3.51,-6.93,-4.65506465152922
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)Nc1ccc(Cl)cc1,C28381397_decoy,GCR,Decoy,0,-6.61715,-3.61,-6.64,-3.131587197319334
O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cncc(Br)c1,C30826913_decoy,GCR,Decoy,0,-10.5468,16.29,-1.89,2.42273648308572
O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2ccccc2F)CC1,C34788864_decoy,GCR,Decoy,0,-12.6331,6.05,-1.67,-3.5664594731248656
O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CS[C@@H](c2cccs2)N1C(=O)c1ccccc1Cl,C35192240_decoy,GCR,Decoy,0,-11.2849,-3.31,-4.32,-4.890571826598591
CC(C)Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2c3c(sc2n1)C[C@H](C)CC3,C35867577_decoy,GCR,Decoy,0,-7.65733,-3.15,-3.65,-3.5824985046584885
O=C(NCCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O)c1ccccc1C(F)(F)F,C17165985_decoy,GCR,Decoy,0,-10.2372,-9.33,-1.42,-15.096327891120312
O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@+]2[O-],C08597664_decoy,GCR,Decoy,0,-12.2589,-4.83,-4.0,-6.027779285214293
C=C1CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](CN(O)C[C@H]4C(=O)O[C@H]5C[C@@]6(C)CCCC(=C)[C@@H]6C[C@H]54)[C@@H]3C[C@H]12,C38569841_decoy,GCR,Decoy,0,-7.31349,-5.64,-3.8,-3.858191023542204
CSc1ccc([C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2cccc(Cl)c2Cl)cc1,C39303816_decoy,GCR,Decoy,0,-6.35276,-3.2,-9.95,-3.4981164296435274
CCCC[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O,C18189535_decoy,GCR,Decoy,0,-9.9838,-3.35,-4.62,-4.418415809575555
CCCC[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O,C06481574_decoy,GCR,Decoy,0,-8.99798,-4.87,-3.77,-4.821810783351615
CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1csc2c1CCCCC2,C39966523_decoy,GCR,Decoy,0,-11.234,-3.41,-1.89,-4.768260370723425
Cc1ccc(Cl)cc1NC(=S)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C39968801_decoy,GCR,Decoy,0,-12.4013,-6.94,-1.28,-8.17980523178365
Cc1c(C(=O)N2c3ccccc3C[C@H]2C)oc2c1/C(=N/NC(=O)c1ccc(Br)cc1)CCC2,C40811764_decoy,GCR,Decoy,0,-9.0188,-4.02,-0.63,-4.342635346812309
O=C1[C@H]2[C@@H](C(=O)N1c1cc(C(F)(F)F)ccc1Cl)[C@]1(C(=O)Nc3ccc(F)cc31)N1CCC[C@@H]21,C16011682_decoy,GCR,Decoy,0,-10.4692,-4.96,-1.49,-4.382452760606218
O=C(O[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2N=C1O)c1ccc(CBr)cc1,C01906326_decoy,GCR,Decoy,0,-13.8409,-2.85,-2.38,-4.96971102658326
[H]/N=C1C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)/C(=O)N=C2SC(Cc3cccs3)=NN2/1,C41108438_decoy,GCR,Decoy,0,-7.87707,-3.21,-1.7,-2.851114560178956
CCN1C(=O)C[C@H](C(=O)Nc2ccccc2F)S/C1=N\c1ccc(I)cc1,C35212828_decoy,GCR,Decoy,0,-9.70839,-3.91,-3.86,-4.334970032903049
Cc1ccc2nc(-c3ccc(NC(=O)CSc4nn(-c5ccccc5)c(=S)s4)cc3)sc2c1,C58978085_decoy,GCR,Decoy,0,-13.373,-2.93,-1.22,-4.807413986064393
Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc(Br)ccc2O)C1=O,C09281964_decoy,GCR,Decoy,0,-7.88134,-3.13,-1.92,-3.320738402241504
O=C1[C@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)ccc2O)C(=O)N1c1ccc(Cl)cc1,C13779108_decoy,GCR,Decoy,0,-11.1031,-4.87,-1.53,-4.748992769374392
[H]/N=C1C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)\C(=O)N=C2SC(c3ccccc3Cl)=NN2\1,C26681034_decoy,GCR,Decoy,0,-10.2685,-3.93,-1.68,-4.389228466620634
C[C@H]1N[C@]2(C(=O)N(C/C=C\c3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21,C15276263_decoy,GCR,Decoy,0,-5.99728,-3.22,-1.64,-2.56876450363851
Cc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1,C64473318_decoy,GCR,Decoy,0,-12.1026,-2.39,-4.48,-4.475879756686614
CCn1c(=O)n(CC)c2cc(Sc3ccccc3)c(NC(=O)c3ccccc3Br)cc21,C45940820_decoy,GCR,Decoy,0,-6.08743,-3.35,-3.84,-2.832173482325836
CSc1cccc(NC(=O)N2CCN(c3nc4cc(Br)ccc4n4cccc34)CC2)c1,C46046884_decoy,GCR,Decoy,0,-11.9742,-2.46,-4.08,-4.3431268221442485
CCN(CC)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1,C02030040_decoy,GCR,Decoy,0,-6.90591,-3.34,-4.39,-3.159377555801006
Cc1cc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc(C)c1Cl,C02998079_decoy,GCR,Decoy,0,-10.101,-7.72,-3.66,-9.13253538258569
Cc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1,C02727674_decoy,GCR,Decoy,0,-9.70462,-6.53,-3.13,-7.947850074305355
Cc1cc(I)ccc1NC(=O)c1ccc(OC(C)C)cc1,C01144515_decoy,GCR,Decoy,0,-9.19219,-7.56,-1.95,-7.88103085843895
Cc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Br)cc1,C06272617_decoy,GCR,Decoy,0,-9.07349,-3.4,-1.81,-3.831630196819185
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C08214878_decoy,GCR,Decoy,0,-11.5172,-1.97,-0.66,-2.4269385250782505
CC(C)Sc1cccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1,C09619588_decoy,GCR,Decoy,0,-9.94796,-3.3,-3.01,-4.075771990158652
O=C(NCCc1ccc(Br)s1)c1cccc(I)c1,C10499785_decoy,GCR,Decoy,0,-10.2931,-3.51,-2.06,-4.705148451393538
Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(Br)c(Br)s1,C11767022_decoy,GCR,Decoy,0,-11.4099,-3.36,0.17,-4.486003308866092
Clc1c(-c2ccc(Br)cc2)n[nH]c1-c1ccc(Br)cc1,C12357692_decoy,GCR,Decoy,0,-9.26349,-8.65,-1.01,-14.092098543780974
CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1,C01130361_decoy,GCR,Decoy,0,-6.20275,-2.53,-3.37,-2.1301782221582486
C1=C[C@@H]2c3cccc(OC[C@@H]4CCCO4)c3N[C@H](c3ccc4ccccc4c3)[C@@H]2C1,C14475521_decoy,GCR,Decoy,0,-10.5738,-0.94,-0.91,-5.070795985040826
C1=C[C@@H]2c3cccc(OC[C@@H]4CCCO4)c3N[C@@H](c3ccc4ccccc4c3)[C@H]2C1,C14475524_decoy,GCR,Decoy,0,-10.4588,-6.25,-1.54,-5.298706552050832
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3ccccc3c1)N2,C14475564_decoy,GCR,Decoy,0,-10.4145,-2.69,-3.32,-4.302306037165117
O=C(c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2)N1CCCC1,C14477848_decoy,GCR,Decoy,0,-11.3011,-3.79,-5.02,-4.427230583813351
Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(I)cc2)c1,C15391499_decoy,GCR,Decoy,0,-8.86143,-6.4,-4.01,-8.78398074253787
O=C1NC(c2cc(I)ccc2Cl)=N/C1=C/c1cccc2ccccc12,C16526164_decoy,GCR,Decoy,0,-10.0692,-3.5,-3.92,-3.7131273305722456
C1=C[C@H]2c3cccc(OC[C@@H]4CCCO4)c3N[C@H](c3cccc4ccccc34)[C@H]2C1,C20699147_decoy,GCR,Decoy,0,-6.08767,-6.63,-1.31,-4.044040797775613
C1=C[C@H]2c3cccc(OC[C@@H]4CCCO4)c3N[C@H](c3ccc4ccccc4c3)[C@H]2C1,C20708562_decoy,GCR,Decoy,0,-6.26181,-4.39,-0.67,-3.0021249753756454
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3ccccc3c1)N2,C20708610_decoy,GCR,Decoy,0,-10.3205,6.38,-1.97,-1.2950071128798857
O=C(Nc1ccc(F)c(Cl)c1)c1cc(Br)ccc1I,C26562817_decoy,GCR,Decoy,0,-9.88324,-7.68,-0.65,-8.68452432774017
O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1I,C29607323_decoy,GCR,Decoy,0,-7.50323,-8.19,-0.79,-7.658713931447969
O=C(Nc1ccc(Br)cc1F)c1ccc(F)cc1I,C31674191_decoy,GCR,Decoy,0,-9.0057,-3.29,-0.77,-3.947790988410275
O=c1[nH]c2cc(Br)c(Br)cc2c2ccc(Br)cc12,C16953001_decoy,GCR,Decoy,0,-9.69155,-3.48,-0.53,-2.694697915809978
O=C(NC1CCCCC1)c1cc(Br)ccc1I,C36729206_decoy,GCR,Decoy,0,-9.36152,-3.54,-3.71,-4.182541755520684
Cc1ccc(-n2c(=S)[nH]c3cc(Br)ccc32)c(Br)c1,C36897976_decoy,GCR,Decoy,0,-9.52598,-3.51,-0.7,-3.469194764108277
C[C@@H](Nc1ccc(Br)cc1Br)c1ccc2c(c1)OCCO2,C36956929_decoy,GCR,Decoy,0,-9.28393,-7.74,-1.26,-8.054304059899026
Brc1cccc(N[C@@H]2CCCOc3cc(Br)ccc32)c1,C37203854_decoy,GCR,Decoy,0,-9.18641,-7.58,-0.59,-6.602434771680702
N#Cc1ccc(N[C@H]2CCOc3ccc(Br)cc32)c(Br)c1,C37302366_decoy,GCR,Decoy,0,-9.70337,-8.12,-0.08,-8.399702864389111
C[C@@H](Nc1ccc(I)cc1Cl)c1ccc2c(c1)CCO2,C37313798_decoy,GCR,Decoy,0,-9.69749,-8.36,-0.78,-7.568730337863687
OCc1ccc(Br)cc1Oc1ccc2cc(Br)ccc2c1,C36670860_decoy,GCR,Decoy,0,-10.513,-7.67,-1.5,-8.799665619657588
O=C(Nc1ccc(I)cc1)C1=Cc2cc(Cl)ccc2OC1,C40180066_decoy,GCR,Decoy,0,-9.91531,-8.28,-0.45,-8.10481174301553
C[C@H]1CCc2c(sc(NC(=O)c3cc(Br)c(Br)s3)c2C#N)C1,C40948051_decoy,GCR,Decoy,0,-11.6567,-3.61,-1.68,-4.594605063453164
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)cc3Cl)sc(=S)c2C1,C41011832_decoy,GCR,Decoy,0,-12.2393,-3.85,-1.3,-5.111835026297619
O=C(Nc1ccccc1I)[C@H]1CCC[C@H](C(F)(F)F)C1,C42565348_decoy,GCR,Decoy,0,-7.68036,-7.17,-5.8,-7.46115024470911
CC(C)[C@H]1CCCN1C(=O)Nc1cc(Br)ccc1I,C49133736_decoy,GCR,Decoy,0,-8.88809,-8.37,-0.83,-9.092278286795947
CSc1ccc(Cl)c(C(=O)Nc2ccc(I)cc2Cl)c1,C49141740_decoy,GCR,Decoy,0,-10.5817,-8.17,-1.92,-9.039676147087771
O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1I,C14429521_decoy,GCR,Decoy,0,-9.29444,-2.83,-0.71,-4.219298864487824
CC(C)(C#N)c1ccc(NCc2cc(Br)c(Br)o2)cc1,C50359521_decoy,GCR,Decoy,0,-9.51532,-7.48,-1.28,-6.860357867094323
O=C(/C=C/Nc1ccc(Br)cc1F)c1ccc(Br)cc1,C00724695_decoy,GCR,Decoy,0,-9.72465,-8.18,-0.96,-11.301696644203604
CC(C)=NNc1nc2c(C(F)(F)F)cc(I)cc2s1,C57327432_decoy,GCR,Decoy,0,-9.32432,-7.39,-0.24,-7.176486671386285
Cc1cc(Br)c(N[C@H](C)C(=O)N2CCCCC2)c(Br)c1,C57347975_decoy,GCR,Decoy,0,-9.47115,-9.16,-2.26,-12.15443395813813
Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1,C15798058_decoy,GCR,Decoy,0,-9.95011,-4.82,-1.61,-5.09485058300035
N#C/C(=C/c1ccccc1I)C(=O)Nc1ccc(Cl)c(Cl)c1,C59117556_decoy,GCR,Decoy,0,-10.2784,-7.22,-3.69,-12.12597873342646
COc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1,C59426325_decoy,GCR,Decoy,0,-10.2934,-1.71,-4.6,-4.970976880778174
Oc1cc(Br)ccc1/C=N/c1ncc(Br)cc1Br,C59946548_decoy,GCR,Decoy,0,-10.1518,-3.12,-0.66,-4.062233476575769
O=C(Nc1cc(Br)ccc1Cl)c1cc(Br)ccc1Cl,C61692956_decoy,GCR,Decoy,0,-10.2348,-8.46,-2.44,-8.71674455352301
CSc1cccc(Nc2nc(C)nc3sc(C)c(-c4ccc(F)cc4)c23)c1,C62040006_decoy,GCR,Decoy,0,-10.5667,-2.92,-1.88,-4.244311221320663
CN(Cc1csc(Br)c1)C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F,C64245341_decoy,GCR,Decoy,0,-8.65469,-6.6,-0.98,-7.540891335039557
O=C(/C=C/Nc1ccc(I)cc1)c1ccc(Br)cc1,C09434987_decoy,GCR,Decoy,0,-9.40826,-7.49,-0.66,-7.906347287551348
O=C([O-])CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1,C09339629_decoy,GCR,Decoy,0,-10.4209,4.99,-3.35,-2.016007004632458
O=C([O-])c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1Cl)N2,C13590528_decoy,GCR,Decoy,0,-3.87607,-3.08,-2.55,-2.1951386543152367
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1,C16477687_decoy,GCR,Decoy,0,-10.9559,-9.65,-2.13,-10.77274328813673
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1,C09374906_decoy,GCR,Decoy,0,-12.528,-3.13,-1.38,-4.960915148380909
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nc5ccc(Cl)cc5s4)[C@H]3c3ccc(O)cc3)ccc2O1,C09360822_decoy,GCR,Decoy,0,-8.77323,16.27,-3.7,2.146038456617984
Cc1ccc(/C=C(\c2nnn[n-]2)c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(C)cc3)s2)cc1,C27562573_decoy,GCR,Decoy,0,-8.24745,-4.24,-4.0,-4.06541872809724
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2F)nc1C,C33370791_decoy,GCR,Decoy,0,-11.0657,9.79,-4.51,-0.432116370622718
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C,C33388876_decoy,GCR,Decoy,0,-5.66364,-4.81,-3.69,-3.3596824711548616
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1,C33553071_decoy,GCR,Decoy,0,-9.83237,-4.69,-16.49,-5.187543907158054
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OCC)cc4s3)[C@@H]2c2ccncc2)cc1,C33554587_decoy,GCR,Decoy,0,-10.8317,-3.57,-1.56,-4.818328361300434
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1,C33724149_decoy,GCR,Decoy,0,-9.39687,-4.32,,99.0
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(N(C)C)cc2)c1,C33790025_decoy,GCR,Decoy,0,-8.22662,-4.36,-5.15,-4.21603033639529
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4c(C)nc5ccccn45)[C@@H]3c3ccccc3F)sc2c1,C33814031_decoy,GCR,Decoy,0,-10.822,-3.86,-3.75,-4.629805406457412
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(Cl)cc3s2)cc1,C34919840_decoy,GCR,Decoy,0,-7.94697,11.04,-4.76,1.1108303381083615
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C34953355_decoy,GCR,Decoy,0,-10.2833,-3.96,-1.99,-5.2315798040930455
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C34953356_decoy,GCR,Decoy,0,-6.71242,-0.32,-4.16,-2.365533842508577
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1,C34955274_decoy,GCR,Decoy,0,-7.18223,-4.6,-3.47,-3.773109949610432
CC(C)c1nn(-c2ccc(Cl)c(Cl)c2)c([O-])c1/C=C1\NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O,C35456094_decoy,GCR,Decoy,0,-10.0711,-3.19,-2.73,-4.520846805410534
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@H]2c2ccc(Cl)cc2)nc1C,C35483758_decoy,GCR,Decoy,0,-9.80875,-5.02,-3.96,-4.749356809509863
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@H]3c3cccc(OCCC(C)C)c3)nc12,C35484688_decoy,GCR,Decoy,0,-7.30281,-4.02,-3.54,-4.021341651689284
COC(=O)c1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1,C35566427_decoy,GCR,Decoy,0,-5.9898,-3.48,-4.3,-2.925799893494446
C=CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1,C35566435_decoy,GCR,Decoy,0,-8.62376,-4.39,-2.82,-4.397168714471247
CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1,C35566494_decoy,GCR,Decoy,0,-8.13031,-1.93,-4.35,-3.264869457669321
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1ccc([N+](=O)[O-])cc1,C35698001_decoy,GCR,Decoy,0,-11.3306,-2.61,-3.79,-5.162957640352636
Cc1ccc(C)c([C@H]2C(C(=O)OC(C)C)=C(C(F)(F)F)N=C3SC=C(/C=C(\[O-])N4CCOCC4)N32)c1,C35705423_decoy,GCR,Decoy,0,-5.77504,-4.11,-3.3,-3.012710235085713
CC(=O)N1CCN(/C([O-])=C/C2=CSC3=NC(C)=C(C(=O)NC(C)(C)C)[C@H](c4ccc(Cl)cc4)N23)CC1,C35709925_decoy,GCR,Decoy,0,-5.76847,-2.54,-3.65,-2.7838174746604096
CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1,C36499844_decoy,GCR,Decoy,0,-9.31852,-2.98,-4.18,-4.323118893289819
CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C(=O)N=C2[O-])c1,C36543684_decoy,GCR,Decoy,0,-8.63479,-3.93,,99.0
Cc1ccc(N2C(=O)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2[O-])cc1Cl,C36550052_decoy,GCR,Decoy,0,-7.26625,-3.27,-4.82,-3.439553606237501
O=C(N/N=C/c1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1)c1cc2ccccc2cc1O,C06093389_decoy,GCR,Decoy,0,-12.0666,-0.82,-3.7,-4.766304806210172
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)OCCO5)[C@H]3c3ccc(O)cc3)sc2c1,C38194672_decoy,GCR,Decoy,0,-11.1664,-3.94,-5.05,-4.763409957821042
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1,C01971864_decoy,GCR,Decoy,0,-5.40516,-4.59,-2.78,-3.414770628688742
CCOC(=O)[C@H]1C2=C(CCCCC2)S[C@H]1NC(=O)[C@@H](C)Sc1nnc2nc([O-])c3c(n12)CCCC3,C39733514_decoy,GCR,Decoy,0,-6.81106,-4.94,-2.0,-3.7720901038746506
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccco2)cc1,C39835211_decoy,GCR,Decoy,0,-11.3914,-4.43,-3.4,-5.348308160928935
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2cccs2)o1,C39835308_decoy,GCR,Decoy,0,-11.6664,-3.21,-3.24,-4.730615464469426
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c(C)c1,C39835855_decoy,GCR,Decoy,0,-5.49712,-3.74,-4.4,-3.117464652606589
CC[C@H](C)n1c([O-])c(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O,C39871599_decoy,GCR,Decoy,0,-10.2405,-9.49,-2.21,-13.907971931122503
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N/N=C/c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1,C39899591_decoy,GCR,Decoy,0,-7.82303,-4.35,-3.47,-3.994290068700664
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3Br)cc2)c1C,C40943849_decoy,GCR,Decoy,0,-10.5481,-8.16,-1.77,-11.416721314728228
O=C(N[C@@H](Cc1ccccc1Oc1ccc(Cl)cc1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320833_decoy,GCR,Decoy,0,-9.56781,-7.3,-2.89,-7.702889351891827
O=C(N[C@H](Cc1sc(N2CCOCC2)nc1Cl)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44321106_decoy,GCR,Decoy,0,-10.9079,-7.01,-3.52,-6.659127118071715
C=CCc1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])cc(OC)c1OC,C59105041_decoy,GCR,Decoy,0,-12.9112,-3.36,-3.92,-5.306105524711221
CC(C)(C)c1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2[O-])cc(C(C)(C)C)c1O,C59198593_decoy,GCR,Decoy,0,-12.5654,-4.76,-3.77,-5.7143550045100255
Cc1cc(C)cc(/N=C(\[O-])C2=c3s/c(=C\c4cccs4)c(=O)n3C(N)=C(C#N)[C@H]2c2cccs2)c1,C59293522_decoy,GCR,Decoy,0,-11.3649,-4.1,-5.18,-4.848499029397661
O=c1c2ccccc2nc(Sc2ccc(/C=N/[N-]S(=O)(=O)Cc3ccccc3)o2)n1-c1ccccc1,C59392334_decoy,GCR,Decoy,0,-10.855,-3.79,-4.46,-4.852847770021762
COc1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])cc(OC)c1OC,C59862383_decoy,GCR,Decoy,0,-11.6251,-2.72,-3.43,-4.27646245285186
O=S(=O)(/N=C1\CCCCCN1)c1ccc2sc([N-]S(=O)(=O)c3ccc4ccccc4c3)nc2c1,C13132644_decoy,GCR,Decoy,0,-11.7996,-3.67,-1.06,-4.696465354374554
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCC4)CC1,C20355718_decoy,GCR,Decoy,0,-12.3757,-3.02,-2.76,-4.7810834876821415
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCC4)CC1,C20355719_decoy,GCR,Decoy,0,-8.20049,-3.64,-2.39,-3.6298164495220826
C=C(c1ccc(C(=O)O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,C65734810_decoy,GCR,Decoy,0,-10.3134,-4.24,-3.66,-4.508557011954558
CC(C)(C)c1ccc(C(=O)Nc2ccccc2Sc2ncnc3sc4c(c23)CCCC4)cc1,C03192555_decoy,GCR,Decoy,0,-8.90654,-4.27,-4.23,-4.362025571489259
O=C(NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1)Sc1ccc(Cl)cc1,C02689755_decoy,GCR,Decoy,0,-9.26749,-2.9,-0.48,-3.8319022835632826
COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2,C08832431_decoy,GCR,Decoy,0,-11.9517,-2.88,-1.49,-4.956574858201989
COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2,C08832432_decoy,GCR,Decoy,0,-11.9486,3.03,-5.24,-3.845983085180987
Cc1ccc2c(c1)c(/C=N/Nc1nc3ccccc3s1)c(C)n2Cc1ccc(Cl)c(Cl)c1,C09191311_decoy,GCR,Decoy,0,-13.107,-5.76,-3.2,-7.590530696341506
Cc1ccc(NC(=O)c2c(-c3ccc(C)cc3)c3c4n(c(-c5ccc(Cl)cc5)cn24)CCCC3)cc1,C02215604_decoy,GCR,Decoy,0,-8.00473,-3.08,-1.86,-3.6191666800157742
Cc1ccc(-c2c3c4n(c(-c5ccc(C)cc5)cn4c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1,C02411974_decoy,GCR,Decoy,0,-6.5894,-2.99,-4.23,-2.9439745717648704
Clc1cccc(Cl)c1Cn1cc(/C=N/Nc2nc3ccccc3s2)c2ccccc21,C09461739_decoy,GCR,Decoy,0,-12.5759,-9.96,-1.97,-14.055668623089124
Cc1cc(I)c(O)c(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1,C03050818_decoy,GCR,Decoy,0,-11.0958,-4.31,-2.04,-4.674302479797681
Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nc2c1,C12465927_decoy,GCR,Decoy,0,-9.9969,19.25,-5.75,3.400349768654559
C=C(C)C/N=c1\scc(-c2ccc(C)cc2)n1/N=C/c1c[nH]c2ccc(Br)cc12,C12565857_decoy,GCR,Decoy,0,-7.37139,-8.29,-3.34,-5.315137723331189
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12,C12660013_decoy,GCR,Decoy,0,-11.1248,-1.6,-1.81,-4.048187732407745
O=C(Nc1ccccc1N1CCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12,C03241639_decoy,GCR,Decoy,0,-7.46102,-4.72,-4.94,-4.022561313786214
CC(C)c1ccc([C@@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccc(Br)cc2)cc1,C13591918_decoy,GCR,Decoy,0,-7.09091,-3.73,-5.55,-3.43198579381429
CCn1c2ccccc2c2cc([C@H]3Nc4ccc(OC[C@@H]5CCCO5)cc4[C@H]4C=CC[C@@H]43)ccc21,C13642878_decoy,GCR,Decoy,0,-12.9173,-3.35,-4.28,-5.50178056702592
O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)C(c1ccccc1)c1ccccc1,C14272133_decoy,GCR,Decoy,0,-10.1372,17.38,-2.17,4.572445941340402
C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1,C14273704_decoy,GCR,Decoy,0,-13.3275,-7.48,-2.8,-6.981572264476736
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1,C01846656_decoy,GCR,Decoy,0,-8.53637,3.18,-2.69,-0.7735112190733909
O=c1c(Cc2cccc3ccccc23)c(O)nc(-c2ccccc2)n1Cc1cccc2ccccc12,C16883315_decoy,GCR,Decoy,0,-6.02521,-5.57,-4.57,-3.804667372372028
O[C@@H](CN1CCN(c2ccc(Cl)cc2)CC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,C19770906_decoy,GCR,Decoy,0,-11.6725,-3.31,-3.73,-4.72705729075951
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(Br)cc4)cc3)sc2c1,C21002795_decoy,GCR,Decoy,0,-13.0177,-4.19,-4.5,-7.447674317871922
CSc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NC2CCCC2)CCCC4)cc1,C21539276_decoy,GCR,Decoy,0,-6.32371,-2.67,-1.87,-2.881802920703325
CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(SC)cc1,C21889414_decoy,GCR,Decoy,0,-4.34503,-4.71,-3.9,-2.77920398833408
O=C(Nc1ccccc1C(F)(F)F)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@H]1c1ccccc1,C21917881_decoy,GCR,Decoy,0,-6.23237,-3.39,-4.01,-2.766595470923234
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)o2)cc1Cl,C22537361_decoy,GCR,Decoy,0,-12.5254,7.93,-4.52,-1.557507056764218
Cc1cccc(-c2nc3cc(/N=C/c4cc(I)cc(C)c4O)ccc3o2)c1,C27519580_decoy,GCR,Decoy,0,-11.3967,-4.58,-1.1,-5.076764599589155
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1,C01863258_decoy,GCR,Decoy,0,-12.0178,-3.57,-3.53,-4.749457716533198
O=C(Nc1cccc2c1CCCC2)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@@H]1c1cccs1,C33042679_decoy,GCR,Decoy,0,-7.75816,-5.6,-5.24,-4.290716840658807
Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc5c(c4)CCC5)cc3Cl)sc2c1,C33169068_decoy,GCR,Decoy,0,-11.4988,-4.96,-0.53,-5.446285415849524
C[C@@H]1CCc2c(sc(NC(=O)COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C#N)C1,C01942866_decoy,GCR,Decoy,0,-12.0404,-5.28,-3.7,-8.017819288327505
O=C(NC1CCCCC1)[C@H](C1CCCCC1)N(C(=O)C#Cc1ccccc1)c1ccccc1Cl,C36544724_decoy,GCR,Decoy,0,-6.60928,-4.24,-2.98,-3.5452453759902185
CC(C)(C)N(C(=O)C#Cc1ccccc1)[C@H](C(=O)NC1CCCCC1)c1c(Cl)cccc1Cl,C36586195_decoy,GCR,Decoy,0,-4.51538,-1.81,-3.58,-1.9357752709989504
CCN1CCc2c(sc(NC(=O)Cc3c(C)cc(C)cc3C)c2-c2nc3ccccc3s2)C1,C36647411_decoy,GCR,Decoy,0,-6.95369,-2.4,,99.0
N#C/C(=C\c1ccc(-c2c(Cl)cccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1,C39884652_decoy,GCR,Decoy,0,-11.7243,-4.0,-1.33,-5.443136929100091
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1,C40883465_decoy,GCR,Decoy,0,-11.3061,-9.44,-1.15,-15.517204558530883
C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12,C43737264_decoy,GCR,Decoy,0,-6.42954,-2.49,-2.79,-2.448764235536723
C=C(C)[C@@H]1CC[C@@]2(COC(C)=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12,C43743001_decoy,GCR,Decoy,0,-5.91577,-2.66,-2.81,-2.3407790943070927
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2,C59198907_decoy,GCR,Decoy,0,-8.82796,-3.87,-4.91,-4.213927499166342
O=C(Nc1ccccc1)c1c(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCC2,C59198912_decoy,GCR,Decoy,0,-7.79962,-3.91,-4.48,-3.458992463098056
Cc1ccc(/N=C2\NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)S2)cc1C,C59224037_decoy,GCR,Decoy,0,-10.9472,-0.71,-1.96,-4.163921460888433
Cc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)S2)cc1,C59302236_decoy,GCR,Decoy,0,-11.1721,-4.16,-4.61,-4.774087339895786
Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)S2)c1,C59432576_decoy,GCR,Decoy,0,-12.3368,-7.45,-4.3,-7.011157206697888
Cc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1,C59433556_decoy,GCR,Decoy,0,-12.9963,-2.82,-4.41,-4.6655871384127945
O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(-c2ccccc2)cc1,C59489086_decoy,GCR,Decoy,0,-6.02051,-5.09,-4.36,-3.5410748744787184
Cc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NC(c4ccccc4)=NN32)c(C)c1,C13096498_decoy,GCR,Decoy,0,-6.09304,-5.25,-2.72,-3.182760661759912
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1,C59718576_decoy,GCR,Decoy,0,-11.0423,-3.2,-3.44,-4.486304245439498
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccc(Cl)c(Cl)c4)c23)cc1,C62040161_decoy,GCR,Decoy,0,-10.7604,-3.41,-3.68,-4.511782776554769
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccc(Br)cc4)c23)cc1,C62040226_decoy,GCR,Decoy,0,-9.4454,-3.09,-0.92,-4.145838813088526
CSc1nc(Nc2ccc(I)cc2C)c2c3c(sc2n1)CCCC3,C12223348_decoy,GCR,Decoy,0,-11.7125,-3.7,-4.01,-4.6226060241181335
CCCOc1ccc(Br)cc1-c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C(C)(C)C)C3,C65002733_decoy,GCR,Decoy,0,-12.0218,4.37,-2.61,-2.9112323865307683
Cc1ccc(-c2ccc(/C=c3/sc4n(c3=O)[C@H](c3cccs3)C3=C(N=4)c4ccccc4CC3)o2)c(Br)c1,C01860626_decoy,GCR,Decoy,0,-7.99925,-3.11,-2.94,-2.93429411881784
CCc1c(C)sc2nc(S[C@@H](C)C(=O)Nc3ccccc3SC)n(-c3ccc(C)c(C)c3)c(=O)c12,C03451014_decoy,GCR,Decoy,0,-8.79474,-5.63,-4.26,-5.203529211247311
CCOc1ccc(NC(=S)c2c(-c3ccccc3)c3c4n(c(-c5ccc(Cl)cc5)nn24)CCCC3)cc1,C03228286_decoy,GCR,Decoy,0,-8.88985,-5.43,-3.96,-4.891956307294878
CC(=O)OC[C@@]12CCC(C(C)C)=C1[C@H]1CC[C@@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2,C08385514_decoy,GCR,Decoy,0,-6.0677,-2.49,-2.04,-2.882562045899004
CC(=O)OC[C@@]12CCC(C(C)C)=C1[C@H]1CC[C@H]3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2,C08385518_decoy,GCR,Decoy,0,-5.88779,-1.86,-2.45,-2.5200300056308422
CC(C)OC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)sc2c1CCCCC2,C02082177_decoy,GCR,Decoy,0,-8.25614,-3.68,-2.77,-4.11372868979265
Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1,C08695549_decoy,GCR,Decoy,0,-7.16244,6.57,-3.71,-0.1780998851722534
C=C(C)[C@H]1CC[C@@]2(COC(C)=O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C08837535_decoy,GCR,Decoy,0,-6.83189,-2.34,-1.91,-2.692301499153321
C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccc(-c5ccccc5)cc4)n(-c4ccccc4)c(=O)c23)C1,C02606492_decoy,GCR,Decoy,0,-6.30574,-3.95,-3.89,-3.2045320940025843
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccc5ccccc45)cc2)N3)C1,C08919704_decoy,GCR,Decoy,0,-7.71855,3.45,-1.25,-1.2728679048951594
O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1,C09434476_decoy,GCR,Decoy,0,-8.47263,-3.79,-3.33,-4.113523357384157
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3sc4c(c3c2=O)CCCCC4)c(C)c1,C03262320_decoy,GCR,Decoy,0,-7.95647,-3.39,-3.48,-3.524927065849803
Cc1ccc(N[P@@]2(=S)/C(=C3\N(C)c4ccccc4C3(C)C)C=Nc3c2c(C)nn3-c2ccccc2)cc1,C12492291_decoy,GCR,Decoy,0,-5.75183,-2.64,-4.46,-2.2658773290716105
Cc1ccc(N[P@]2(=S)/C(=C3\N(C)c4ccccc4C3(C)C)C=Nc3c2c(C)nn3-c2ccccc2)cc1,C12492300_decoy,GCR,Decoy,0,-5.53658,-4.39,-3.81,-2.731161767305517
CC1(C)CC(/C=C/c2ccc(Cl)cc2)=Cc2c1sc(NC(=O)COc1ccc3ccccc3c1)c2C#N,C12623557_decoy,GCR,Decoy,0,-9.66781,6.85,-2.04,-0.8763186769493054
C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C12658575_decoy,GCR,Decoy,0,-7.02719,-2.33,-1.47,-3.001031539845053
C=C(C)[C@H]1CC[C@@]2(COC(C)=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12,C13372291_decoy,GCR,Decoy,0,-7.13577,-2.16,-1.46,-2.737817258353341
C=C(C)[C@H]1CC[C@]2(COC(C)=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12,C13372295_decoy,GCR,Decoy,0,-6.84084,-2.42,-2.28,-3.1009492757499024
CC(C)(C)P(=NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)(N1CCCCCC1)N1CCCCCC1,C15906168_decoy,GCR,Decoy,0,-7.46746,-4.3,-4.07,-3.6645479129736063
CCCc1ccc(C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1,C16000113_decoy,GCR,Decoy,0,-5.80343,-5.97,-3.56,-4.253173617770047
COc1ccc2[nH]c3c(C)cc(C[C@H](C)c4cc(C)c5c(c4C)c4cc(OC)cc6c4n5[C@H](C)C6)c(C)c3c2c1,C01612942_decoy,GCR,Decoy,0,-6.77162,-6.48,-3.54,-3.676821231225559
CCSc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C20358565_decoy,GCR,Decoy,0,-9.04597,-3.87,-3.06,-3.8179698408531846
COc1ccc(-c2cn3c(C(=S)Nc4ccc(C)cc4)c(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1,C27027550_decoy,GCR,Decoy,0,-6.84516,-3.63,-4.2,-3.437052592225932
Cc1ccn2c([C@@H](CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc3C)cnc2c1,C33689865_decoy,GCR,Decoy,0,-6.72071,-3.21,-4.69,-3.23958473247005
Cc1ccn2c([C@H](CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc3C)cnc2c1,C33689868_decoy,GCR,Decoy,0,-5.62988,-0.26,-3.96,-2.0462348723772434
Cc1ccc(-n2c([C@@H](C)N(CC(C)C)C(=O)[C@@H](Cl)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1,C35071748_decoy,GCR,Decoy,0,-6.72992,-3.19,-3.15,-3.557134892779593
O=C(c1cc(-c2cccs2)nn1-c1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1,C35293298_decoy,GCR,Decoy,0,-11.6088,-3.77,-2.92,-5.245457523670263
O=C(C[C@H](c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)N1CCN(c2ccccc2F)CC1,C35372490_decoy,GCR,Decoy,0,-8.17877,-4.71,-4.45,-4.779634211838426
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C35770798_decoy,GCR,Decoy,0,-7.06012,-1.96,-3.11,-3.108491675861185
CC[C@@H](C(=O)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c23)CCCC4)CC1)c1ccccc1,C35849181_decoy,GCR,Decoy,0,-7.62077,-3.04,-4.06,-3.23038678967033
C=C(C)[C@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C36370613_decoy,GCR,Decoy,0,-6.85199,-2.48,-1.99,-2.726838142170834
Cc1ccc(CN(C(=O)C2CCCCC2)[C@@H](C(=O)NC2CCCCC2)c2cc3ccccc3c3ccccc23)o1,C36555799_decoy,GCR,Decoy,0,-11.2425,-4.31,-4.46,-5.362250916349455
CC1(C)CC[C@@]23CC[C@]4(C)[C@@H](CC[C@H]5[C@@]6(C)CC[C@H](OC(=O)C(F)(F)F)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3,C38550056_decoy,GCR,Decoy,0,-6.52272,-3.69,-1.22,-2.71017102022626
Cc1ccc(-c2nc(CSc3nnc(-c4csc5c4CCCCC5)n3C[C@H]3CCCO3)cs2)cc1,C39966884_decoy,GCR,Decoy,0,-14.003,-3.36,-3.42,-5.562838511341999
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)C[C@@H](c2ccccc2F)c2cnc3c(OCc4ccccc4)cccn23)C1,C35819848_decoy,GCR,Decoy,0,-9.60186,-4.7,-3.67,-4.752681474097407
CC(C)(C)c1ccc(/C=C2\S/C(=N/N=C\c3cccc(Br)c3)N(Cc3ccco3)C2=O)cc1,C47138489_decoy,GCR,Decoy,0,-7.66228,-3.66,-3.47,-3.3680934468285875
O=C(NC1CCCCC1)c1c(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)sc2c1CCCC2,C09680439_decoy,GCR,Decoy,0,-8.79294,-4.21,-3.95,-4.460953938125295
O=C(CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3)NC(c1ccccc1)c1ccccc1,C01816974_decoy,GCR,Decoy,0,-10.6812,-4.99,,99.0
COc1ccc(-n2c(SCC(=O)c3ccc(Br)cc3)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1,C01830082_decoy,GCR,Decoy,0,-7.82856,-3.43,-4.93,-3.32671629345038
Cc1ccccc1-n1c(SCC(=O)Nc2cccc3ccccc23)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C01834990_decoy,GCR,Decoy,0,-8.44976,-4.54,-4.89,-4.129533863706736
O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccc(Br)cc12,C01838950_decoy,GCR,Decoy,0,-7.32007,-5.01,-2.64,-4.225774055593732
C/C(Nc1ccccc1-c1ccccc1)=c1/c(=O)n(-c2nc3ccccc3s2)[nH]/c1=C\Sc1ccc(Cl)cc1,C01869302_decoy,GCR,Decoy,0,-6.77856,-4.53,-4.19,-3.378655053462605
Cc1ccc(-c2cn3c(C(=S)Nc4ccc(Cl)cc4)c(-c4ccc(Br)cc4)c4c3n2CCCC4)cc1,C01870786_decoy,GCR,Decoy,0,-10.9531,9.07,-3.41,-0.8867489177401886
Cc1cccc(-n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1,C01875504_decoy,GCR,Decoy,0,-6.15072,-3.21,-3.99,-3.192874764841054
Nc1nc(SCc2ccc(Cl)cc2Cl)nc2sc3c(c12)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1,C01875610_decoy,GCR,Decoy,0,-9.55986,-2.79,-5.18,-3.956214294265535
Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C01879445_decoy,GCR,Decoy,0,-11.8974,-5.38,-3.72,-5.674061683588136
O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1,C59010482_decoy,GCR,Decoy,0,-10.5377,-7.41,-3.76,-9.21132270051469
CC(C)c1ccc([C@@H]2S[C@]3(SC(c4ccccc4)=NN3c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1,C59125998_decoy,GCR,Decoy,0,-6.27019,6.08,-4.36,-0.0600516958069658
Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Br)cc3)cc2)c(C)c1,C59946779_decoy,GCR,Decoy,0,-6.6926,-3.06,-1.75,-3.172952831443288
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(Br)cc2)CC[C@H](C(C)(C)C)C3)cc1,C15946441_decoy,GCR,Decoy,0,-7.2746,-3.07,-2.02,-3.3037676531429296
C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cn1,C03389363_decoy,GCR,Decoy,0,-9.21532,-4.95,-1.58,-4.875453405410497
CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc1,C02110800_decoy,GCR,Decoy,0,-11.1264,-3.74,-5.09,-4.737357602216906
Cc1ccc(-c2nc(CCNC(=O)c3ccc4c(c3)OCO4)cs2)cc1,C04570782_decoy,GCR,Decoy,0,-9.08717,-3.6,-4.73,-3.897951546501997
CCc1ccc(NC(=O)[C@H](C)Sc2nnc3ccc4ccccc4n23)cc1,C01924302_decoy,GCR,Decoy,0,-8.1802,-3.84,-1.72,-3.810539070872748
C=CCNc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3,C01828659_decoy,GCR,Decoy,0,-9.58024,-6.3,-1.34,-9.396205330945548
O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1,C01230437_decoy,GCR,Decoy,0,-8.70851,-5.25,-4.74,-5.219732159615257
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1,C00948333_decoy,GCR,Decoy,0,-9.71612,-2.91,-5.32,-4.187862136053052
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2C)cc1,C05209437_decoy,GCR,Decoy,0,-10.7351,-4.57,-3.2,-4.91982145694145
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2,C05515463_decoy,GCR,Decoy,0,-8.9617,-6.75,-1.79,-6.491939110450086
Cc1sc2nc(SCC(=O)OC3CCC(C)CC3)[nH]c(=O)c2c1C,C05238847_decoy,GCR,Decoy,0,-9.522,-8.56,-3.86,-7.326897773813646
O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCC1=CCCCC1,C06782432_decoy,GCR,Decoy,0,-8.78178,-3.97,-2.99,-4.358655141511282
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1,C06887826_decoy,GCR,Decoy,0,-10.026,-9.11,-2.94,-9.397920947488762
C[C@H](OC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)N(C)C1CCCCC1,C07737863_decoy,GCR,Decoy,0,-9.38348,-7.99,-2.36,-10.680830829433097
N#C/C(=C\c1cccc(O)c1)c1nc(C(c2ccccc2)c2ccccc2)no1,C08239323_decoy,GCR,Decoy,0,-10.035,-10.9,-5.27,-11.498192814073796
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)o1,C08489218_decoy,GCR,Decoy,0,-9.09987,-9.29,-2.0,-9.17795334876526
FC(F)(F)c1cccc(NC2(c3nnnn3C3CCCCC3)CCCC2)c1,C09434400_decoy,GCR,Decoy,0,-9.03872,-4.09,-1.3,-4.0051853436971685
Cc1ccc(-c2nnc(NC(=O)c3cccc(SC(C)C)c3)o2)cc1C,C09620104_decoy,GCR,Decoy,0,-10.305,-4.06,-4.97,-4.698864512879035
COc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(Cl)cc3s2)cc1,C10388993_decoy,GCR,Decoy,0,-11.0339,-5.33,-3.48,-5.489014547906268
O=C(CSc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1Cl,C10440040_decoy,GCR,Decoy,0,-8.98498,-8.74,-0.85,-13.230610816685326
CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc2ccccc2c1O,C10492186_decoy,GCR,Decoy,0,-9.64345,-4.77,-1.29,-5.150205929697066
Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1C,C11917199_decoy,GCR,Decoy,0,-8.66029,-9.36,-2.15,-11.713010771177569
CCOc1ccc2nc(SCc3cc(=O)oc4cc(C)ccc34)[nH]c2c1,C10732256_decoy,GCR,Decoy,0,-9.45987,-2.01,-1.24,-3.546716664574584
O=C(NCC1(c2cccs2)CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1,C13803209_decoy,GCR,Decoy,0,-9.51174,-5.73,-0.8,-5.3679553414489325
COc1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1,C14257991_decoy,GCR,Decoy,0,-10.6649,-4.16,-3.88,-4.9982860873057104
C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2,C14478234_decoy,GCR,Decoy,0,-8.6534,-9.84,-2.7,-10.559301310742615
Cc1ccccc1NC(=O)COc1cccc2ccc(N3CCCCC3)nc12,C16837999_decoy,GCR,Decoy,0,-7.7839,-4.32,-2.36,-4.201553648282662
N#CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1,C16841542_decoy,GCR,Decoy,0,-9.84356,-4.15,-3.75,-4.65883002260289
Cc1cc(C)cc(OCCCN2C(=O)NC3(CCCCCCC3)C2=O)c1,C17478985_decoy,GCR,Decoy,0,-8.94776,-6.59,-1.13,-5.988513446667361
C=CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2,C20713435_decoy,GCR,Decoy,0,-8.80288,-9.51,-1.04,-8.464955004971928
CCCCC(=O)Nc1cc(C)nn1-c1nc2c(Cl)cccc2s1,C21685975_decoy,GCR,Decoy,0,-9.11966,-6.14,-2.04,-6.4553450738824
Cc1ccc([N+](=O)[O-])c(NC(=O)[C@@H](C)Sc2ccc(F)cc2)c1C,C21823719_decoy,GCR,Decoy,0,-7.78601,-5.26,-0.74,-4.731879130871901
Cc1ccc(-c2nc(CSc3nc(C(C)(C)C)n[nH]3)co2)c(C)c1,C23008027_decoy,GCR,Decoy,0,-9.33041,-7.79,-1.9,-7.079580106967303
Cc1ccc(NC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1,C25540012_decoy,GCR,Decoy,0,-10.4836,-2.6,-1.84,-4.152818863393983
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)c1,C27663780_decoy,GCR,Decoy,0,-9.42499,-10.29,-2.92,-12.815155572675016
Cc1ccc(-c2nnc(NC(=O)COc3cccc(C)c3C)s2)cc1,C28286819_decoy,GCR,Decoy,0,-8.4586,-3.72,-6.98,-3.990065094047931
CC1CCN(C(=O)CCN(C(=O)NC2CCCCC2)C2CCCCC2)CC1,C34942845_decoy,GCR,Decoy,0,-9.57094,-4.1,-5.69,-4.5966215103779655
COc1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc(Br)s1,C38002852_decoy,GCR,Decoy,0,-7.69037,-6.46,-1.75,-6.701157025863972
CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ccc(Cl)nn3)C2)cc1,C40130301_decoy,GCR,Decoy,0,-10.1848,-8.33,-0.74,-12.9400307790105
CCOC(=O)c1c(NC(=O)c2cc(C)cc(C)n2)sc2c1CC[C@H](C)C2,C41005451_decoy,GCR,Decoy,0,-10.2423,-3.74,-1.84,-4.676316457584616
CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1,C45613919_decoy,GCR,Decoy,0,-7.19281,-9.47,-2.13,-11.265077674783944
Cc1ccc(/C=C/C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1,C46879915_decoy,GCR,Decoy,0,-8.63463,21.49,-3.95,4.78950015740721
Oc1ccccc1-c1nn(CN(c2ccccc2)c2ccccc2)c(=S)o1,C01434202_decoy,GCR,Decoy,0,-10.1423,-6.67,-1.88,-10.94789958885907
Cc1cccn2cc(CSc3nnc(Nc4ccccc4)s3)nc12,C06465845_decoy,GCR,Decoy,0,-8.70506,-8.65,-3.0,-8.431943690025848
CSc1ncccc1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1,C21908023_decoy,GCR,Decoy,0,-9.85865,-2.08,-2.76,-3.998495949075924
CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)CC1,C25092033_decoy,GCR,Decoy,0,-9.25285,-2.77,-5.11,-4.289623078530647
COCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccccc1,C05879643_decoy,GCR,Decoy,0,-8.49274,-0.68,-2.94,-3.0917275506384474
CC(C)Oc1nc(Cl)nc(NCc2ccc(Br)cc2)n1,C61522788_decoy,GCR,Decoy,0,-9.2048,-6.76,-2.44,-6.656877237154849
C=CCn1c(S[C@H]2CCc3ccccc3N=C2O)nnc1-c1ccccc1,C20726903_decoy,GCR,Decoy,0,-9.31038,-4.36,-0.81,-4.149412989110504
CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1,C66319439_decoy,GCR,Decoy,0,-8.45957,7.48,-1.93,-0.3714508296569886
O=C(Nc1ccc2ccccc2n1)c1ccccc1OCc1cscn1,C67184506_decoy,GCR,Decoy,0,-8.88678,-4.76,-1.65,-4.538459087228891
Brc1ccc(CN(Cc2ccco2)c2ncnc3c2ncn3Cc2ccc(Br)cc2)cc1,C01765616_decoy,GCR,Decoy,0,-10.7968,-2.87,-4.19,-4.670131310069396
Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Br)o2)c(C)c1,C01823943_decoy,GCR,Decoy,0,-5.99257,-3.84,-3.46,-2.6918463229045875
COc1ccc(NC(=O)CSc2nc(SC)nc3c2sc2nc(C(C)C)c4c(c23)CCCC4)cc1,C02246428_decoy,GCR,Decoy,0,-11.4241,5.45,-2.83,-2.984063864838572
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C08769723_decoy,GCR,Decoy,0,-5.58036,-3.35,-5.03,-2.8647779708012298
O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2)N1CCCCC1,C01753015_decoy,GCR,Decoy,0,-11.088,-4.42,-4.55,-5.355224272286887
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3N3CCN(C(=O)C(C)C)CC3)o2)cc1Cl,C08904440_decoy,GCR,Decoy,0,-9.66755,-2.88,-2.67,-4.287565381238736
Cc1ccccc1NC(=O)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2,C01827221_decoy,GCR,Decoy,0,-6.02172,-5.9,-4.04,-4.496888193109333
Cc1ccc(-n2c([C@@H](C)N(CCC(C)C)S(=O)(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1,C16425696_decoy,GCR,Decoy,0,-5.61425,-2.99,-4.47,-2.6719622336426103
Cc1ccc(-n2c([C@H](C)N(Cc3ccco3)C(=O)Nc3cccc(C)c3)nc3cc(Cl)ccc3c2=O)cc1,C00743375_decoy,GCR,Decoy,0,-7.86079,-3.98,-3.51,-4.056842987407964
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1,C16503462_decoy,GCR,Decoy,0,-5.90654,-2.87,-3.69,-3.171779223347288
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1,C16569116_decoy,GCR,Decoy,0,-5.6537,-3.17,-4.19,-3.205869867350849
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C26503399_decoy,GCR,Decoy,0,-8.59243,-3.08,-3.03,-3.946324248312105
CCc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3cccc(C)c3C)S2)cc1,C28156047_decoy,GCR,Decoy,0,-7.92924,-2.18,-4.0,-3.4765358391746
CCc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3cccc(C)c3C)S2)cc1,C28156052_decoy,GCR,Decoy,0,-8.90748,1.45,-3.18,-2.518469238450783
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccccc4F)S3)[C@H](c3ccc(C(C)C)cc3)C2)cc1,C28156250_decoy,GCR,Decoy,0,-8.82781,-4.17,-4.9,-4.226162923314162
Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)CN(CCC(C)C)S(=O)(=O)c1ccc(Cl)cc1,C33477925_decoy,GCR,Decoy,0,-11.0883,-3.71,-3.64,-4.94514971799311
CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CC)C(=O)Nc1c(C(C)C)cccc1C(C)C,C35067121_decoy,GCR,Decoy,0,-5.10118,-2.78,-4.55,-2.445527005976906
CC[C@H](C)NC(=O)CN1C(=O)CS[C@@H](c2ccccc2C)c2c(C(C)(C)C)nn(-c3ccc(C)cc3C)c21,C35524274_decoy,GCR,Decoy,0,-6.91156,-4.94,-4.48,-4.144415439149674
CC[C@H](C)NC(=O)CN1C(=O)CS[C@@H](c2cccs2)c2c(C(C)(C)C)nn(-c3ccc(C)cc3C)c21,C35593396_decoy,GCR,Decoy,0,-7.54721,-2.93,-2.1,-3.671092998035217
Cc1ccc(NC(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(Cl)cc2)CC(C)C)cc1,C36116396_decoy,GCR,Decoy,0,-7.94944,-3.34,-4.11,-4.060753077658062
Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC(C)C)C(=O)CS[C@H]3c2ccsc2)c(C)c1,C37425708_decoy,GCR,Decoy,0,-7.31993,-2.69,-3.51,-3.1109850879567857
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C26503392_decoy,GCR,Decoy,0,-8.39545,-4.08,-3.38,-4.167537032241348
CCOc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)ccc1OCc1ccc(C)cc1,C40005813_decoy,GCR,Decoy,0,-11.5529,-7.14,-2.88,-7.501950154542403
CCOc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ncccc2C)ccc1OCCC(C)C,C40009279_decoy,GCR,Decoy,0,-6.16265,-3.81,-3.73,-3.160144793771126
CCC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccc(Cl)cc3)n(-c3ccc(OCC)cc3)c(=O)c21,C40036060_decoy,GCR,Decoy,0,-7.33943,-2.67,,99.0
CCC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/c3cccc4ccccc34)n(-c3ccc(OC)cc3)c(=O)c21,C40036206_decoy,GCR,Decoy,0,-8.07859,-3.24,-5.47,-3.7142350934554735
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1OCCC(C)C,C40044799_decoy,GCR,Decoy,0,-6.92422,-4.25,-2.65,-3.785520480116183
CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1,C40056104_decoy,GCR,Decoy,0,-7.65963,16.61,-4.41,3.042943475230972
CCCCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1,C40056608_decoy,GCR,Decoy,0,-7.30338,-2.76,-2.17,-3.432569923012553
CCOc1cc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1OCCC(C)C,C40065970_decoy,GCR,Decoy,0,-6.84673,-3.04,-3.08,-3.367845595253004
CC(C)CCN(C(=O)c1cccs1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1,C35062084_decoy,GCR,Decoy,0,-5.39186,-2.24,-3.26,-2.4289658431838794
Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C3CCCCC3)C3CCCCC3)CC2=O)c1C,C40251868_decoy,GCR,Decoy,0,-6.46712,-4.64,-4.45,-3.351026705701376
CCCSc1nc2n(n1)[C@H](c1ccc(OCc3c(F)cccc3Cl)cc1)C1=C(CC(C)(C)CC1=O)N2,C40981697_decoy,GCR,Decoy,0,-7.10033,-2.42,-3.23,-3.145685004664675
Cc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1,C01796391_decoy,GCR,Decoy,0,-8.3619,-2.48,-4.44,-3.894130994474448
Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(SCC(=O)c4ccc(Cl)cc4)nnc12)C[C@H](C(C)(C)C)CC3,C01815189_decoy,GCR,Decoy,0,-6.26472,-2.31,-2.54,-2.526962438553773
CC[C@@]1(C)Cc2nc3nc(SCC(=O)c4ccc(Br)cc4)n(Cc4ccccc4)c(=O)c3cc2CO1,C01815659_decoy,GCR,Decoy,0,-11.0569,-3.54,-4.61,-4.582662153261499
O=C(c1ccccc1Cl)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12,C01823986_decoy,GCR,Decoy,0,-5.86058,-3.57,-2.73,-2.9625535913074046
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)N1C(=N2)C(Nc2ccc(Br)cc2)=Nc2ccccc21,C01824039_decoy,GCR,Decoy,0,-5.83333,-3.39,-3.6,-2.72309867721711
CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1,C01827401_decoy,GCR,Decoy,0,-11.7195,-7.32,-4.05,-8.991219609451495
O=C(CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4)Nc1ccc(Br)cc1,C01871448_decoy,GCR,Decoy,0,-11.3766,-3.93,-2.19,-5.176103907023919
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nc3sc4c(c3c2=O)CCCC4)cc1,C01874701_decoy,GCR,Decoy,0,-6.91359,-4.72,-3.6,-3.7705163651355393
O=C(CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2)Nc1ccc(Br)cc1,C01877050_decoy,GCR,Decoy,0,-8.19797,-2.68,-3.68,-2.989676072618191
COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3,C01896880_decoy,GCR,Decoy,0,-8.78884,-5.03,-4.41,-4.579614182678303
O=C1CCCC2=C1[C@@H](c1ccc(OCCc3ccccc3)cc1)n1nc(SCc3ccccc3F)nc1N2,C54641679_decoy,GCR,Decoy,0,-8.0828,-1.23,-3.7,-3.3006931427047776
Cc1cccc(COc2ccc([C@@H]3C4=C(CCCC4=O)Nc4nc(SCc5ccccc5F)nn43)cc2)c1,C54641692_decoy,GCR,Decoy,0,-7.74699,-4.03,-3.17,-3.853157055941769
Cc1ccc(C)c(/N=C2\S/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)N2c2cc(C)ccc2C)c1,C59223803_decoy,GCR,Decoy,0,-5.57218,-3.26,-4.05,-2.7922149318008223
Cc1ccc(C)c(/N=C2\S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)C(=O)N2c2cc(C)ccc2C)c1,C59223804_decoy,GCR,Decoy,0,-6.39172,-3.81,-4.47,-3.251233795278686
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)nnc1-c1ccc(Cl)cc1,C14069481_decoy,GCR,Decoy,0,-12.8388,-3.97,,99.0
Cc1cccc(N=[P@]2(N3CCOCC3)C3=C(N4CCOCC4)CC(C)(C)CC3=NN2c2ccccc2)c1C,C12490323_decoy,GCR,Decoy,0,-4.80019,-2.85,-2.8,-2.143914918904624
COC(=O)c1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C,C59678580_decoy,GCR,Decoy,0,-7.87716,-2.92,-3.92,-3.6415863528618826
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CCN(c4[nH+]cc(C(F)(F)F)cc4Cl)CC3)n2n1,C03137799_decoy,GCR,Decoy,0,-7.14338,-4.64,,99.0
COc1cccc2cc(C(=O)N(CCC[NH+]3CCOCC3)c3nc4c(C)c(Cl)ccc4s3)oc12,C08960111_decoy,GCR,Decoy,0,-8.23044,-3.06,-3.64,-3.8462394823682575
O=C(CSc1ncnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CCCC3)c1ccc(Cl)cc1,C01745731_decoy,GCR,Decoy,0,-12.9173,6.66,-2.27,-2.399941627897589
CCOc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3cc(Cl)sc3Cl)sc2c1,C09400762_decoy,GCR,Decoy,0,-10.6824,-2.7,-4.18,-4.670015918241101
CSc1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(Br)cc3s2)cc1,C09401011_decoy,GCR,Decoy,0,-8.36183,-5.18,-2.38,-4.912198683784232
CN(C)c1[nH+]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=O)C(c1ccccc1)c1ccccc1)OCO3,C12202684_decoy,GCR,Decoy,0,-6.78579,-3.01,-2.21,-2.972792258404284
COCc1c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c(=O)cc(C)n1Cc1cccc2ccccc12,C12210411_decoy,GCR,Decoy,0,-8.80697,-4.46,-4.35,-4.29819936681758
CC[C@@H](c1nnc(Sc2nc(C)nc3scc(-c4cccs4)c23)n1Cc1ccccc1)[NH+](C)C,C03440107_decoy,GCR,Decoy,0,-10.498,-3.07,-3.38,-4.624597399916449
COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)n2)cc1,C12701828_decoy,GCR,Decoy,0,-7.92981,-3.24,-4.04,-3.994107286731333
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[NH+](C)[C@]23C(=O)N(Cc2ccccc2C)c2ccccc23)c(C)c1,C20687190_decoy,GCR,Decoy,0,-5.35895,-3.73,-3.11,-2.9005668537972835
CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN2CCN(c3cccc[nH+]3)CC2)c1=S,C12603799_decoy,GCR,Decoy,0,-7.72951,-3.6,-3.16,-3.897979456319773
O=C([C@@H]1CCC[NH+](Cc2nc(-c3ccccc3Cl)no2)C1)N1CCN(C/C=C/c2ccccc2)CC1,C31049410_decoy,GCR,Decoy,0,-6.87775,-4.89,-2.54,-4.184666891224874
O=C([C@@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1)N1CCN(c2ccc(F)cc2)CC1,C31054855_decoy,GCR,Decoy,0,-8.61101,-4.2,-3.02,-4.201370401231469
O=C([C@@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C31056787_decoy,GCR,Decoy,0,-13.5723,-2.64,-3.79,-5.342900081423274
O=C([C@H]1CCC[NH+](Cc2nc(-c3cccs3)no2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C31056789_decoy,GCR,Decoy,0,-9.04302,-4.43,-3.94,-4.353480873479567
O=C1C[C@H]2c3ccccc3CCN2C(=O)C1/C=[NH+]/c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl,C08855488_decoy,GCR,Decoy,0,-6.74782,-2.06,-3.3,-2.522002253267943
Cc1ccc(C)c(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3CC(=O)N3CCCCC3)CCCC5)CC2)c1,C34747355_decoy,GCR,Decoy,0,-8.37271,-3.38,-3.43,-3.808984056859831
CCCSc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34749975_decoy,GCR,Decoy,0,-7.52006,-2.56,-2.66,-2.8951228824138977
CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(C)C)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34750190_decoy,GCR,Decoy,0,-8.34433,-2.23,-4.56,-3.3409332495450186
CN(C)C(=O)CSc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2c3c(sc2n1)CCCC3,C34756529_decoy,GCR,Decoy,0,-7.66088,3.22,-3.93,-1.4844034904101742
Cc1ccc(C)c(CSc2nc(N3CC[NH+](CC(=O)N4CCCC4)CC3)c3c(C)c(C)sc3n2)c1,C34759349_decoy,GCR,Decoy,0,-11.9948,-3.22,-4.53,-6.488831293286567
C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)N(CC[NH+](C)C)C(=O)Cc1ccccc1,C35089575_decoy,GCR,Decoy,0,-8.8601,-5.32,-4.1,-5.3573994625915065
Cc1ccc([C@H]2c3ccsc3CC[NH+]2CC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1,C35938495_decoy,GCR,Decoy,0,-7.70886,-3.44,-4.19,-3.46201099499808
Cc1ccccc1[C@H]1c2ccsc2CC[NH+]1CC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)[C@H](C)C1,C35938505_decoy,GCR,Decoy,0,-5.61825,-6.98,-1.56,-4.065296624018874
O=C(CC[NH+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3ccccc3c2)CC1,C35938568_decoy,GCR,Decoy,0,-9.29008,-4.54,-3.06,-4.448111177100036
CCCCc1ccc(C(=O)N2CCCN(C(=O)CC[NH+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1,C35938571_decoy,GCR,Decoy,0,-7.12165,-2.92,-4.75,-3.182265403152868
Cc1ccc([C@@H]2c3ccsc3CC[NH+]2CCC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1,C35938674_decoy,GCR,Decoy,0,-7.01805,-4.7,-5.0,-3.8571891674889054
Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc2c1,C36637662_decoy,GCR,Decoy,0,-13.244,-3.05,-4.97,-5.755234691238539
CC[NH+](CC)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccc(Cl)cc2s1,C36637835_decoy,GCR,Decoy,0,-9.41538,-3.36,-4.49,-4.129163482712125
O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(F)cc2)CC1,C37587453_decoy,GCR,Decoy,0,-10.1591,-4.5,,99.0
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)sc2c1,C36648013_decoy,GCR,Decoy,0,-11.5604,-2.71,-3.56,-4.979208447758023
CCC(CC)CC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@H]1[C@@H]1CC=CO1,C38799090_decoy,GCR,Decoy,0,-10.2052,-1.77,-1.44,-5.990348194056455
CCC(CC)CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1[C@@H]1CC=CO1,C38799094_decoy,GCR,Decoy,0,-12.407,-2.96,-2.82,-5.336807730851408
Cc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)nc12,C36704489_decoy,GCR,Decoy,0,-11.6004,-2.81,-1.52,-4.846582993998775
O=C(c1cc(Br)ccc1Cl)N(CCCn1cc[nH+]c1)c1nc2c(Cl)cccc2s1,C38847552_decoy,GCR,Decoy,0,-12.0017,-2.52,-3.58,-4.651917697527797
Cc1ccc(C)c2sc(N(CCCn3cc[nH+]c3)C(=O)c3cc(Br)ccc3Cl)nc12,C38848340_decoy,GCR,Decoy,0,-9.5882,-3.73,-2.11,-4.454691032243169
C=CCn1c(S[C@@H]2C(=O)[NH+]=c3cc(Cl)ccc3=C2c2ccccc2Cl)nnc1-c1cccnc1,C38965015_decoy,GCR,Decoy,0,-10.5636,-4.95,-2.58,-5.138215241368632
Cc1cc(C)c2c(c1)=[NH+]C(=O)[C@@H](CN(Cc1ccc3c(c1)OCO3)S(=O)(=O)c1ccc(Cl)cc1)C=2,C39325066_decoy,GCR,Decoy,0,-9.17302,-2.97,-2.9,-3.938887008846251
Cc1cc(C)c2c(c1)=[NH+]C(=O)[C@H](CN(Cc1ccc3c(c1)OCO3)S(=O)(=O)c1ccc(Cl)cc1)C=2,C39325067_decoy,GCR,Decoy,0,-5.96787,-3.77,-3.71,-2.9105330724470964
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1C1=NN(C(=O)c2ccccc2F)[C@@H](c2ccco2)C1,C39988951_decoy,GCR,Decoy,0,-5.40406,-4.17,-4.74,-3.071653380517096
Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(C(F)(F)F)c2)CC3)cc1,C40415524_decoy,GCR,Decoy,0,-6.25855,-2.8,-4.78,-3.0173012278449733
CC(C)c1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N([C@@H](C)CCc4ccccc4)CC(=O)N23)cc1,C63139548_decoy,GCR,Decoy,0,-6.21247,-3.02,-4.05,-3.018837159348836
COc1cc([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCCCC4)CC(=O)N32)ccc1OC(C)C,C63140386_decoy,GCR,Decoy,0,-5.89945,-2.5,-4.57,-2.3381338494181145
CCOc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)cc1OC,C63141206_decoy,GCR,Decoy,0,-7.89983,-3.5,-3.13,-3.3852667286501013
S=C1[NH+]=N[C@@H](n2nc(-c3ccccc3)cc2-c2ccccc2)N1/N=C/c1ccc(Br)cc1,C39939985_decoy,GCR,Decoy,0,-8.86095,-2.55,-2.44,-3.545761064006824
C[C@]12C(=O)N(CCc3ccc(F)cc3)CC(=O)N1C[C@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@@H]12,C63362949_decoy,GCR,Decoy,0,-11.0426,-5.78,-1.9,-5.68265440257759
CCCOc1ccc([C@@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63375141_decoy,GCR,Decoy,0,-6.59716,-2.63,-3.8,-2.882096052248886
CCCOc1ccc([C@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63375142_decoy,GCR,Decoy,0,-12.1398,-2.77,-2.37,-5.34024370419492
CCOc1cccc(CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(SC)cc2)c1OCC,C63491767_decoy,GCR,Decoy,0,-6.80889,2.69,-3.02,-0.6273511089242382
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)C2=c3ccccc3=[NH+]C2)cc1Cl,C38663619_decoy,GCR,Decoy,0,-12.5828,-8.82,-6.54,-11.213644729947664
CCOC(=O)c1c(COc2ccccc2)n(C)c2cc(Br)c(O)c(C[NH+]3CCCCC3)c12,C04015337_decoy,GCR,Decoy,0,-10.1189,-7.76,-3.04,-9.19063606533061
CN1/C(=C/C=C2CCCC(/C=C/C3=[N+](C)c4ccc([N+](=O)[O-])cc4C3(C)C)=C2Cl)C(C)(C)c2cc([N+](=O)[O-])ccc21,C04235333_decoy,GCR,Decoy,0,-5.9056,-6.22,-2.36,-4.0454293203823335
Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3c2cc(-c3ccccc3Br)nc(C)n2)cc1,C08623138_decoy,GCR,Decoy,0,-10.0329,-4.53,-1.86,-4.7754395282212645
CCSc1ccccc1C(=O)NCC[NH+]1CCN(c2nc3ccc(Br)cc3s2)CC1,C09346941_decoy,GCR,Decoy,0,-9.43416,-4.27,-3.51,-4.527039900884263
Cc1ccc(Cl)c2sc(N(CCC[NH+]3CCOCC3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12,C09523903_decoy,GCR,Decoy,0,-6.39666,-3.68,-2.66,-3.381802958155474
CCc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1,C10775141_decoy,GCR,Decoy,0,-10.3763,-3.01,-2.8,-4.816273152683777
CCc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc12,C10775338_decoy,GCR,Decoy,0,-10.9656,-4.06,-5.39,-5.271140338481345
Cc1cc(Cl)cc2sc(N(CCC[NH+]3CCOCC3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12,C10786002_decoy,GCR,Decoy,0,-8.41148,-4.23,-4.71,-4.249208544189024
O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,C12374924_decoy,GCR,Decoy,0,-11.1789,-2.71,-4.55,-4.222356253222508
CCOC(=O)[C@H]1CCC[NH+](Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C(C)C)c2=S)C1,C12623139_decoy,GCR,Decoy,0,-9.48457,-2.12,-3.76,-3.7221705308256814
FC(F)(F)c1c[nH+]c(N2CCN(c3nc(CSc4ccc(Cl)cc4)cs3)CC2)c(Cl)c1,C03470256_decoy,GCR,Decoy,0,-12.9787,13.92,-2.62,0.3904652374996184
C[NH+](Cc1ccc(Cl)cc1Cl)Cn1nc(-c2ccc3c(c2)OCO3)n(-c2ccccc2)c1=S,C13071512_decoy,GCR,Decoy,0,-11.2022,-6.18,-2.6,-8.898956075042975
C[NH+](Cc1ccc(Cl)c(Cl)c1)Cn1nc(-c2ccc3c(c2)OCO3)n(-c2ccccc2)c1=S,C13071938_decoy,GCR,Decoy,0,-7.25928,-2.79,-4.59,-3.3258761152560705
Cc1cccc(-c2nc3c(C)cccc3cc2CN(CC[NH+](C)C)C(=O)c2cc3c([nH]c2=O)CCCC3)c1,C15005737_decoy,GCR,Decoy,0,-5.94791,-5.21,-5.42,-3.427771200052372
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[NH+]1[C@@H]2C(=O)c1ccc(Cl)cc1,C09329461_decoy,GCR,Decoy,0,-7.93078,-4.85,-4.96,-3.561551531046664
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1c3ccccc3C=C[NH+]1[C@@H]2C(=O)c1ccc(Cl)cc1,C08969821_decoy,GCR,Decoy,0,-7.74823,-4.27,-2.95,-3.3961106433353576
CC[NH+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1,C20179257_decoy,GCR,Decoy,0,-11.0705,-4.6,-3.59,-5.396089508726012
O=C1/C(=C/Nc2ccc3c(c2)N2CC[NH+]=C2S3)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21,C20575912_decoy,GCR,Decoy,0,-6.20426,-3.62,-1.76,-3.145260237015241
Cc1cc(N2CCN(Cn3cc(CCCC(=O)N4CCCCC4)c4ccccc43)CC2)[nH+]c2ccccc12,C20648653_decoy,GCR,Decoy,0,-9.2442,-4.14,-4.03,-4.746312902256971
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)cc[nH+]2)CC1,C28352427_decoy,GCR,Decoy,0,-11.0747,28.74,-5.14,6.673041611676807
CC[C@H](NC(=O)C1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1)c1ccc(C)c(C)c1,C30978926_decoy,GCR,Decoy,0,-9.04357,-9.92,-1.54,-7.2849670381653855
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCC[NH+](Cc2nc(-c3ccccc3Cl)no2)C1,C31049451_decoy,GCR,Decoy,0,-11.2256,-3.97,-1.95,-4.94467316528284
O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCC[NH+](Cc2nc(-c3ccccc3Cl)no2)C1,C31049455_decoy,GCR,Decoy,0,-11.1515,-2.88,-2.2,-4.607777134391833
CCc1[nH+]c(C)nc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1Cc1ccc(Cl)cc1,C00697347_decoy,GCR,Decoy,0,-10.3047,-3.29,-3.08,-4.930725540156613
CC[NH+]1CCN(c2nc(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c23)CC(C)(C)OC4)CC1,C34750116_decoy,GCR,Decoy,0,-6.64486,-3.52,-2.11,-3.06311701055041
CCCn1c([C@@H](CC)[NH+]2CCN(C(=O)Nc3cccc(Br)c3)CC2)nc2ccccc2c1=O,C35037003_decoy,GCR,Decoy,0,-7.65451,-2.04,,99.0
C[C@H](c1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1)N(CC[NH+](C)C)C(=O)/C=C/c1ccccc1,C35089606_decoy,GCR,Decoy,0,-3.83232,-4.38,-3.54,-2.752404841858518
O=C(C[NH+]1CCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,C35523175_decoy,GCR,Decoy,0,-11.0237,-1.92,-0.86,-4.258892003010896
O=C(NCC[NH+]1CCCC1)c1cc2sc(Br)cc2n1Cc1ccc(Br)cc1,C37588245_decoy,GCR,Decoy,0,-10.2602,-7.83,-3.0,-10.085636248823976
CN1CCCc2cc([C@H](CNC(=O)c3cc(Br)ccc3Cl)N3CC[NH+](C)CC3)ccc21,C38673024_decoy,GCR,Decoy,0,-9.16165,-4.42,-4.04,-4.672686495744275
CC[NH+](CC)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2c(C)cc(C)cc2s1,C36640332_decoy,GCR,Decoy,0,-10.9775,-3.24,-5.13,-4.717924505684643
Cc1c(Cl)ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc12,C36643060_decoy,GCR,Decoy,0,-11.8256,-2.89,-5.03,-4.883221483684037
CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1,C36643366_decoy,GCR,Decoy,0,-9.02413,-1.93,-3.91,-3.958494842714576
Cc1cc(C)c2nc(N(CCC[NH+](C)C)C(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1,C36643685_decoy,GCR,Decoy,0,-7.81555,-2.92,-5.41,-3.6614712294940266
Cc1cc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(-c4cccs4)nc4ccccc34)nc2c1,C36643725_decoy,GCR,Decoy,0,-8.87598,-3.13,-3.79,-4.1691586077824025
Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)c2nc3ccc(Br)cc3s2)cc1[N+](=O)[O-],C38847896_decoy,GCR,Decoy,0,-9.30898,3.4,-3.26,-2.124387660037705
Cc1cccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)N[C@@H](C)c4ccc(N5CCC[C@H](C)C5)cc4)C3)n2)c1,C38888989_decoy,GCR,Decoy,0,-6.92835,3.0,-3.98,-1.185588872351714
COc1ccc2c(c1)=C[C@H](CN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1C)C(=O)[NH+]=2,C38959597_decoy,GCR,Decoy,0,-9.74187,-4.1,-3.63,-4.96429309010494
C[NH+](C)CCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2c(Cl)cccc2s1,C36643498_decoy,GCR,Decoy,0,-10.9382,-2.61,-5.32,-4.559141730119203
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(C[NH+](Cc3ccccc3)Cc3ccc4c(c3)OCO4)o2)C1,C35246797_decoy,GCR,Decoy,0,-6.30559,-4.1,-4.99,-3.384601077492969
COc1cc2c(cc1N1CC[NH+](C)CC1)N(C(=O)Nc1ccc(-c3ccncc3)c(Cl)c1Cl)CC2,C45190779_decoy,GCR,Decoy,0,-12.222,-4.02,-4.14,-4.93556264858983
O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,C12374902_decoy,GCR,Decoy,0,-6.55523,-4.64,-2.36,-3.406310175342691
COC(=O)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C4CCCCCCC4)CC(=O)N32)cc1,C63142116_decoy,GCR,Decoy,0,-5.25391,-3.12,-3.28,-2.255577301228572
CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OC,C63372264_decoy,GCR,Decoy,0,-7.28683,-3.58,-1.86,-3.4982695400889594
CC(C)C[C@@H](C(=O)NCCc1ccc(Cl)cc1)N1C(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@@]2(C)C1=O,C63373382_decoy,GCR,Decoy,0,-11.2928,-3.18,-3.75,-5.258654006960643
O=C(NC1CCCC1)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](c3ccccc3)N2C1=O,C63375240_decoy,GCR,Decoy,0,-6.16516,-4.82,-2.24,-3.383441073250516
CC[C@H](C)NC(=O)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccc(F)cc3)N2C1=O,C63375956_decoy,GCR,Decoy,0,-5.37834,-4.43,-2.94,-2.802103313221011
CCOC(=O)C1CCN([C@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(Cl)ccc2Cl)CC1,C38980023_decoy,GCR,Decoy,0,-6.67137,-3.52,-1.77,-2.921187133237662
CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1)C(c1ccc(Br)cc1)=N2,C35397202_decoy,GCR,Decoy,0,-11.7868,18.69,-3.11,2.698479354740256
Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1C,C45912802_decoy,GCR,Decoy,0,-10.609,-3.02,-4.21,-4.498377394772694
CS(=O)(=O)c1cc(C#N)c(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]c1-c1ccc(Cl)cc1,C06208667_decoy,GCR,Decoy,0,-10.7656,-3.75,-2.88,-4.509254819964728
CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCCCC1,C08442456_decoy,GCR,Decoy,0,-7.32213,-2.69,-4.0,-3.537670137052047
COc1c2c(cc3c1[C@H](C/N=C/[C@@H]1C(=O)N=C(S)N(c4ccc(C(C)C)cc4)C1=O)[NH+](C)CC3)OCO2,C09014877_decoy,GCR,Decoy,0,-6.581,-4.49,-2.5,-3.424880008115227
Cc1c(Cl)ccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12,C09505654_decoy,GCR,Decoy,0,-10.8406,-3.53,-2.98,-5.059762502247679
C[NH+](C)CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1)c1nc2ccccc2s1,C10775638_decoy,GCR,Decoy,0,-10.8507,-2.69,-2.51,-4.8939407530679935
CSc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(N3CCOCC3)[nH+]c2c1,C11973779_decoy,GCR,Decoy,0,-7.50641,-2.61,-4.98,-3.046634049908455
CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1,C12140798_decoy,GCR,Decoy,0,-11.0708,-4.41,-3.82,-5.521127745023068
O=C(COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2ncccn2)CC1)NCc1cccc(F)c1,C12191614_decoy,GCR,Decoy,0,-7.35538,-3.3,-4.56,-3.7815417618904177
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1c(COc2ccc(Br)cc2)[n+](C)c2ccccc21,C08763975_decoy,GCR,Decoy,0,-7.44482,-4.97,-3.64,-4.364126571063655
COc1ccc(OC)c2[nH+]c(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)C3CCCCC3)cc12,C12455801_decoy,GCR,Decoy,0,-5.45494,-3.47,-3.07,-2.936779734678185
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)sc2c1,C12465706_decoy,GCR,Decoy,0,-11.2477,-3.04,-4.44,-4.872372247617139
Cc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)nc12,C12465714_decoy,GCR,Decoy,0,-9.46556,-3.48,-3.51,-4.3982828553266105
CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O,C13063931_decoy,GCR,Decoy,0,-10.7254,-9.41,-4.45,-9.984167598851307
CC[NH+]1CCN(C(=O)c2csc(CSc3nnc(-c4ccco4)n3-c3cccc(Cl)c3)n2)CC1,C16460217_decoy,GCR,Decoy,0,-11.9795,-3.96,-4.06,-5.306024973603986
N#CC(C(=O)CSC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1nc2ccccc2[nH]1,C09437142_decoy,GCR,Decoy,0,-7.03126,-9.56,-2.67,-6.051279724942861
COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[NH+]23)c1,C08969260_decoy,GCR,Decoy,0,-6.98792,-6.87,-2.55,-4.165217898896219
C[NH+]1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C(=O)c2ccccc2Br)CC1,C27302268_decoy,GCR,Decoy,0,-9.06167,-3.58,-2.61,-4.041067048035584
O=C(C1CC[NH+](Cc2nc(-c3ccccc3Cl)no2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C30983915_decoy,GCR,Decoy,0,-7.61086,-4.78,-2.11,-3.956777509147921
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](CC)CC2)SC1=S,C33811952_decoy,GCR,Decoy,0,-10.7758,-2.23,-3.7,-4.489354675230232
Cc1ccc(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3CC(=O)N3CC3)CC(C)(C)OC5)CC2)c(C)c1,C34734889_decoy,GCR,Decoy,0,-6.83218,-4.19,-2.82,-3.564205656826532
C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)Nc2ccc(Br)cc2)CCCC4)CC1,C34747094_decoy,GCR,Decoy,0,-8.72091,-3.54,-4.61,-3.908789960402331
CCN(CC)C(=O)C[NH+]1CCN(c2nc(SCC(=O)N3CCCCC3)nc3sc4c(c23)CCC4)CC1,C34757877_decoy,GCR,Decoy,0,-8.45612,7.19,-4.42,-0.6444547141022583
CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(=O)N3CC3)CC2)c2c(-c3ccccc3)csc2n1,C34774792_decoy,GCR,Decoy,0,-11.3567,-2.86,-4.98,-5.291954626643158
O=C(CC[NH+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1,C34830067_decoy,GCR,Decoy,0,-6.09621,-5.78,-2.24,-3.4895905443121045
Cn1cc[nH+]c1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CCc1ccc2c(c1)OCO2,C35454305_decoy,GCR,Decoy,0,-8.8861,-7.95,-2.54,-11.591456267174175
CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(C)c(C)c(N4CC[NH+](CC)CC4)n3)c2)C1,C35704405_decoy,GCR,Decoy,0,-8.00623,-5.49,-5.08,-5.284709941651081
O=C(NCC[NH+]1CCCC1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)C2CC2)CC3)o1,C35862181_decoy,GCR,Decoy,0,-10.7766,-3.79,-5.37,-4.644837537261877
COc1cc(OC)cc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1,C35920721_decoy,GCR,Decoy,0,-6.18646,-3.39,-5.25,-2.6498286314164243
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CC[NH+](CC)CC4)n3)cc2)C1,C36062933_decoy,GCR,Decoy,0,-11.1623,-5.14,-4.75,-6.007464150881259
CC(C)CC(=O)N1CCc2ccc(OCc3nc(C(=O)N4CC[NH+](C)CC4)co3)cc2[C@H]1c1ccccc1,C34685748_decoy,GCR,Decoy,0,-11.327,22.74,-3.14,4.994257920274453
COc1ccc([C@H](CNC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[NH+]2CCCCC2)cc1,C38615207_decoy,GCR,Decoy,0,-6.19214,-8.34,-3.94,-5.104932401165732
COc1cc(/C=C/C(=O)N(CC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc(OC)c1OC,C36640854_decoy,GCR,Decoy,0,-10.9932,-2.61,-2.27,-7.039835324254812
CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cc(-c4cccs4)nc4ccccc34)nc12,C36643452_decoy,GCR,Decoy,0,-10.9163,-3.43,-2.94,-5.191928737076236
O=C([C@@H]1CCCC[C@H]1C(=O)N1CCN(c2c(Cl)cncc2Cl)CC1)N1CCN(c2cccc[nH+]2)CC1,C38732545_decoy,GCR,Decoy,0,-8.39385,-2.9,-2.08,-3.5924512246052944
CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1,C36647931_decoy,GCR,Decoy,0,-11.491,-2.65,-3.36,-5.318748610379511
CC[NH+](CC)CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1nc2c(C)cccc2s1,C36647952_decoy,GCR,Decoy,0,-9.9422,-2.94,-6.75,-4.308265721909737
CC[NH+](CC)CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1nc2c(C)cc(C)cc2s1,C36704392_decoy,GCR,Decoy,0,-12.337,-3.35,-4.82,-5.6561706723636
CC[NH+](CC)CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1nc2ccccc2s1,C36704452_decoy,GCR,Decoy,0,-10.7056,-4.17,-2.39,-5.688614000379546
Cc1c(Cl)ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12,C38850179_decoy,GCR,Decoy,0,-11.1509,-2.05,-4.63,-4.516795227291824
CC[C@@H](NC(=O)[C@@H]1CCC[NH+](Cc2nc(-c3cccc(Br)c3)no2)C1)c1ccc(OC)cc1,C38904797_decoy,GCR,Decoy,0,-11.6268,-5.61,-1.35,-7.1508170770356
COc1ccc2nc(N(CCC[NH+](C)C)C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1,C36648041_decoy,GCR,Decoy,0,-11.0111,-1.87,-3.72,-4.570177483531856
CCc1cccc2sc(N(CCC[NH+](C)C)C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc12,C36648059_decoy,GCR,Decoy,0,-10.8157,-3.03,-1.95,-4.967662855509152
CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc12,C36648069_decoy,GCR,Decoy,0,-10.9458,-3.07,-3.68,-5.08503233955523
O=C([C@@H]1CCCN(c2ccc(-c3noc(-c4ccccn4)n3)cc2F)C1)N1CCN(c2cccc[nH+]2)CC1,C40879015_decoy,GCR,Decoy,0,-7.88724,-4.18,-2.05,-4.167058580004458
O=C(C1CCN(c2ccc(-c3noc(-c4ccccn4)n3)cc2F)CC1)N1CCN(c2cccc[nH+]2)CC1,C40902179_decoy,GCR,Decoy,0,-7.69696,-4.56,-2.65,-3.873723552453009
O=[N+]([O-])c1cccc(C2=[N+]3C(=NC4=C(CCC/C4=C\c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)SC2)c1,C57058860_decoy,GCR,Decoy,0,-11.1662,-3.06,-2.35,-4.525205962672741
C[NH+]1CCN(CN2C(=O)/C(=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)CC1,C38204945_decoy,GCR,Decoy,0,-12.5496,-2.88,-4.82,-4.555860217498043
COc1ccc(CCN2CC(=O)N3[C@H](c4cc(OC)ccc4OC)[C@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63136941_decoy,GCR,Decoy,0,-5.67985,-3.56,-3.97,-3.106392112217988
CCOc1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(Cc4ccccc4OC)CC(=O)N23)cc1OC,C63141869_decoy,GCR,Decoy,0,-6.69589,-2.43,-3.03,-2.837094398941596
COc1cc([C@@H]2CN3C(=O)CN(Cc4ccco4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C23)ccc1OC(C)C,C63374105_decoy,GCR,Decoy,0,-5.84447,-3.52,-2.31,-2.747221841536618
COC(=O)C1C(C)=NC(C)=C(C(=O)OCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,C03923318_decoy,GCR,Decoy,0,-6.12453,-2.98,-4.45,-3.191500598349488
O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)c1cccs1,C03104276_decoy,GCR,Decoy,0,-11.657,-3.09,-2.53,-4.637530444371476
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+](Cc1ccc(F)cc1)Cc1ccco1,C06149107_decoy,GCR,Decoy,0,-5.53708,-4.82,-1.98,-3.71246291592498
CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+](Cc1ccco1)Cc1ccccc1Cl,C06149312_decoy,GCR,Decoy,0,-6.05608,-3.04,-3.94,-2.75436494594493
CC[NH+](CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1,C09009867_decoy,GCR,Decoy,0,-7.02589,-5.86,-5.17,-4.315914283147244
COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)CCn3nc(C)cc3C)cc12,C11786014_decoy,GCR,Decoy,0,-12.4753,-2.96,-2.98,-5.542680505430159
O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CC=C(c2ccccc2)CC1)N[C@@H]1CCCc2ccccc21,C11982739_decoy,GCR,Decoy,0,-11.5454,-4.67,-3.6,-5.665287702380645
CC[C@H](c1nnnn1C1CCCC1)[NH+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O,C13063823_decoy,GCR,Decoy,0,-10.7044,-6.37,-1.77,-6.616607797474207
CCOc1ccc2[nH]c(=O)c(C[NH+](CCc3cccc(C)c3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1,C13495956_decoy,GCR,Decoy,0,-11.9992,-6.11,-1.86,-6.584146894599892
CC[C@H](c1nnnn1C1CCCC1)[NH+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O,C13495968_decoy,GCR,Decoy,0,-11.6147,-6.48,-4.31,-11.287182705570173
COc1ccccc1CCC(=O)N(Cc1cc2cc3c(cc2[nH+]c1N1CCOCC1)CCC3)C[C@@H]1CCCO1,C14971500_decoy,GCR,Decoy,0,-8.65816,-3.11,-4.08,-4.044607075539504
Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+](Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)c(=O)[nH]c2c1,C06409968_decoy,GCR,Decoy,0,-6.83735,-5.4,-3.82,-4.409276915894475
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(F)cccc3s2)cc1,C16837418_decoy,GCR,Decoy,0,-12.584,-3.32,-3.89,-5.745837872373651
C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OCC,C09312233_decoy,GCR,Decoy,0,-11.1292,15.84,-3.3,2.622900066374179
C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OCC,C09312235_decoy,GCR,Decoy,0,-6.95661,-1.74,-3.35,-3.3054671309600763
C[NH+](C)CCCn1c(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc2c1=O,C02618857_decoy,GCR,Decoy,0,-8.66887,-3.95,-2.03,-4.381824370974844
CSc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)c(N3CCC([NH+]4CCC[C@H](CO)C4)CC3)n2)cc1,C19113739_decoy,GCR,Decoy,0,-7.50267,-3.2,-3.36,-3.3907928838886683
COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1,C20107928_decoy,GCR,Decoy,0,-10.9562,-9.93,-3.63,-11.765715898878511
CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1,C20115132_decoy,GCR,Decoy,0,-7.92381,-2.66,-5.09,-3.6928891593756568
CCCC[NH+](C)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1,C20179460_decoy,GCR,Decoy,0,-11.8897,-2.19,-4.38,-5.019263853783333
C[C@@H](NC(=O)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1)c1ccc(N2CCCC2)cc1,C31055945_decoy,GCR,Decoy,0,-9.42485,-4.21,-2.98,-4.396421382367211
C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1)c1ccc(N2CCCC2)cc1,C31055948_decoy,GCR,Decoy,0,-7.55728,-3.89,-3.1,-3.666197287067004
CCN(CC)C(=O)C[NH+]1CCN(c2nc(SCc3ccccc3Cl)nc3sc4c(c23)CCC4)CC1,C34757430_decoy,GCR,Decoy,0,-9.56997,-3.01,-4.32,-4.574580314360847
Cc1ccc(C)c(C[NH+]2CCN(c3nc(SCC(=O)N(C)C)nc4scc(-c5ccccc5)c34)CC2)c1,C34774750_decoy,GCR,Decoy,0,-11.7943,-1.89,-3.01,-4.4556863306209085
CCCC[C@@H](CC)C(=O)N(CC[NH+](C)C)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1,C35073187_decoy,GCR,Decoy,0,-10.7017,-3.31,-3.19,-5.254137873063153
CCc1ccc(-n2c([C@H](CC)N(CC[NH+](C)C)C(=O)CSc3ccccc3)nc3ccccc3c2=O)cc1,C35093794_decoy,GCR,Decoy,0,-6.98993,-4.32,-3.62,-4.328071588115316
O=C(c1ccc(C[NH+](Cc2cccc(F)c2)C2CCCCC2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,C35226624_decoy,GCR,Decoy,0,-11.9665,-4.98,-2.63,-6.194164464025433
COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C[NH+](Cc3ccc(C)s3)C[C@@H]3CCCO3)o2)cc1,C35745398_decoy,GCR,Decoy,0,-11.3042,-5.85,-3.63,-11.18022116145926
C=CC[NH+]1CCN(C(=O)c2coc(COc3ccc4c(c3)[C@@H](c3ccc(C)cc3)N(C(=O)CC)CC4)n2)CC1,C35863275_decoy,GCR,Decoy,0,-6.34185,-4.69,-2.56,-3.4677567102857285
O=C(NCCc1ccc(Cl)cc1Cl)C1CCN(c2[nH+]c3ccccc3n2CCN2CCOCC2)CC1,C35957438_decoy,GCR,Decoy,0,-9.69612,-4.04,-3.31,-4.741674769409789
COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)o2)n1,C36040955_decoy,GCR,Decoy,0,-10.3354,3.83,-2.82,-2.737942544124727
CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[NH+](Cc3ccc4c(c3)OCO4)Cc3cc(C)ccc3C)n2)C1,C36065901_decoy,GCR,Decoy,0,-6.93472,-5.55,-4.24,-4.281020394975934
COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C[NH+](Cc3cc(OC)cc(OC)c3)C(C)C)o2)cc1,C36203681_decoy,GCR,Decoy,0,-6.16017,-4.16,-3.8,-3.8616479468233975
COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2c1,C36637299_decoy,GCR,Decoy,0,-8.30422,-2.71,-3.88,-3.907059749512748
CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)sc2c1,C36637406_decoy,GCR,Decoy,0,-10.0297,-0.94,-2.79,-5.520286854036291
CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc12,C19362980_decoy,GCR,Decoy,0,-12.1348,-2.99,-4.76,-5.573096247579274
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CC[NH+](CC)CC2)SC1=S,C33812502_decoy,GCR,Decoy,0,-12.4958,-3.54,-3.45,-5.674651504717439
CC[NH+](CC)CCN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc2c(C)ccc(Cl)c2s1,C36642970_decoy,GCR,Decoy,0,-12.33,1.08,-4.75,-5.883165504068695
Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc12,C36643421_decoy,GCR,Decoy,0,-11.082,12.42,-2.52,0.6500130699717386
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(C)cccc3s2)cc1,C36643423_decoy,GCR,Decoy,0,-11.5499,-2.0,-3.23,-4.8223071443899785
CC[NH+](CC)CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nc2c(OC)ccc(OC)c2s1,C36652699_decoy,GCR,Decoy,0,-10.472,-3.22,-2.25,-4.926814335006223
CCc1cccc2sc(N(CC[NH+](CC)CC)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)nc12,C36660285_decoy,GCR,Decoy,0,-6.30968,-2.64,-4.27,-3.208687160347784
CC[NH+](CC)CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)c1nc2cc(C)cc(C)c2s1,C36660302_decoy,GCR,Decoy,0,-8.04892,-3.59,-3.33,-4.1777005423262334
CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH+](Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)C2)cc1OCC,C38903017_decoy,GCR,Decoy,0,-10.9167,-8.57,-2.5,-6.972846222872112
CCOc1cc(C(=O)N(C[C@H]2C=c3ccc(OC)cc3=[NH+]C2=O)c2cccc(C)c2)cc(OCC)c1OCC,C39928213_decoy,GCR,Decoy,0,-7.08215,-3.5,-2.66,-3.659871966033712
CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NCC[NH+]4CCCC4)cs3)cc2[C@H]1c1ccc(C)cc1,C40416315_decoy,GCR,Decoy,0,-12.0501,1.61,-4.13,-3.99331368504572
Cc1oc(-c2ccc(OC(C)C)cc2)nc1C[NH+]1CCC(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1,C40983898_decoy,GCR,Decoy,0,-7.04468,-3.7,-4.5,-3.4652853459957305
CC[NH+](CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,C01838489_decoy,GCR,Decoy,0,-8.90793,-5.14,-4.68,-4.6922999220248185
CCCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(c5cccc[nH+]5)CC4)c(O)ccc3c2=O)cc1,C41585982_decoy,GCR,Decoy,0,-12.8795,-4.52,-3.92,-5.936159835861055
COC(=O)[C@H]1[NH+]=c2ccc(C)cc2=C1NC(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,C63933033_decoy,GCR,Decoy,0,-6.45439,-7.04,-3.21,-5.113521945553397
CC(C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C,C04513748_decoy,GCR,Decoy,0,-10.9306,-2.5,-3.15,-4.366717975511082
Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)C2CCC2)cc1,C04874128_decoy,GCR,Decoy,0,-10.1857,-1.97,-3.57,-4.201678194331993
CN(C)c1ccc(C(=CC=C2C(=O)c3ccccc3C2=O)c2ccc(N(C)C)cc2)cc1,C01851259_decoy,GCR,Decoy,0,-6.65551,-3.61,-2.55,-3.13984693408684
C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)SC1=S,C02986309_decoy,GCR,Decoy,0,-9.05737,-7.6,-1.01,-9.53469286043402
Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1,C07948383_decoy,GCR,Decoy,0,-11.5456,-8.86,-3.23,-14.797674485881386
N#CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3,C08642143_decoy,GCR,Decoy,0,-9.18782,-3.5,-4.54,-3.86341111653913
Cc1sc2nc(CSc3ccc(Br)cc3)nc(-n3ccnc3)c2c1C,C08705727_decoy,GCR,Decoy,0,-10.6307,-3.29,-3.47,-4.577329393787522
CSc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(C(C)C)cccc2s1,C09038150_decoy,GCR,Decoy,0,-9.92288,-3.56,-3.46,-4.614325969123204
O=C(c1ccc(Br)cc1)N(Cc1ccccn1)c1nc2ccccc2s1,C09294130_decoy,GCR,Decoy,0,-9.39406,-3.31,-2.79,-4.3040995708691865
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1,C02245921_decoy,GCR,Decoy,0,-11.5358,-8.87,-1.14,-9.459709606886568
O=C(CCCSc1ccccc1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1,C09473621_decoy,GCR,Decoy,0,-10.7215,-3.4,-1.08,-4.539242878296973
O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1,C09516638_decoy,GCR,Decoy,0,-9.78637,-6.09,-1.12,-5.685346728532543
Cc1ccc(-n2nc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)sc2=S)cc1Cl,C03287018_decoy,GCR,Decoy,0,-11.1423,-9.28,-2.54,-12.305394496449075
CSc1ccc(CC(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)cc1,C09565361_decoy,GCR,Decoy,0,-10.9867,-3.73,-6.44,-4.575608270491101
CCSc1ccc(CC(=O)N2CCN(c3nc4cc(C)cc(C)c4s3)CC2)cc1,C09596878_decoy,GCR,Decoy,0,-10.6734,-3.6,-3.11,-4.954996460915107
CCc1ccc2nc(N3CCN(C(=O)c4ccc(SC(C)C)cc4)CC3)sc2c1,C09621100_decoy,GCR,Decoy,0,-9.72878,-3.98,-1.73,-4.569085383412656
COc1ccc(Br)cc1CSc1nnc(-c2cccs2)n1C1CC1,C09711750_decoy,GCR,Decoy,0,-11.0492,-8.46,-1.38,-9.760928098267966
Cc1cccc2sc(N3CCN(C(=O)CCCSc4ccc(F)cc4)CC3)nc12,C09910099_decoy,GCR,Decoy,0,-11.5827,-5.96,-2.71,-6.652225417673694
O=C(Cc1ccc(Cl)s1)N(Cc1cccnc1)c1nc2c(F)cccc2s1,C10061417_decoy,GCR,Decoy,0,-9.95786,-4.21,-3.54,-4.910532873159946
O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1C[C@H]1CCCO1)CCCC2,C10255571_decoy,GCR,Decoy,0,-11.3802,-3.44,-5.33,-4.925554163966986
C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccccc1I,C10256620_decoy,GCR,Decoy,0,-9.03288,-3.5,-2.82,-4.359208158645011
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)Cc3ccc(C)cc3C)sc2c1,C10834105_decoy,GCR,Decoy,0,-11.5292,-3.23,-2.24,-5.309745565237631
O=C(CSc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1,C10867874_decoy,GCR,Decoy,0,-10.1141,-7.75,-3.09,-9.508480958776648
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3Br)sc2c1,C11065062_decoy,GCR,Decoy,0,-9.34141,-4.29,-2.26,-4.218525693342135
Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(SC(C)C)cc4)CC3)sc2c1,C12070991_decoy,GCR,Decoy,0,-11.3779,-2.26,-1.88,-4.230991359870679
O=C(c1ccc(COc2ccc(I)cc2)o1)N1CCCCCC1,C01083389_decoy,GCR,Decoy,0,-8.65812,-4.25,-3.33,-4.2315776365513305
C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1,C12932516_decoy,GCR,Decoy,0,-9.93663,-4.17,-1.67,-4.459202105771233
O=c1c2ccccc2nc(SCc2c(Cl)cccc2Cl)n1Cc1cccnc1,C09130875_decoy,GCR,Decoy,0,-8.14852,-3.43,-1.72,-3.830535753205872
CSc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(C)cc(C)cc3s2)c1,C07515900_decoy,GCR,Decoy,0,-10.1101,-2.94,-2.79,-4.426087978465891
CN(C(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccccc1,C01396474_decoy,GCR,Decoy,0,-9.97325,-4.83,-2.03,-5.244628756333218
COc1ccc(-c2csc(/C(C#N)=C/c3cc4ccc(C)cc4nc3Cl)n2)cc1,C16310906_decoy,GCR,Decoy,0,-10.4519,15.84,-0.63,1.7244128016426052
Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)[C@H](C)Cl)cc1,C16499864_decoy,GCR,Decoy,0,-9.3629,-5.61,-3.03,-7.377362891127925
C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1ccc2c(c1)CCC2,C21324580_decoy,GCR,Decoy,0,-9.52058,-9.39,-3.86,-8.63533917762284
CC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3,C22150975_decoy,GCR,Decoy,0,-11.4465,5.6,-2.44,-2.6816312822945383
Cc1ccc([C@H](C)C(=O)N2CCO[C@@H](COCc3c(Cl)cccc3Cl)C2)cc1,C22624480_decoy,GCR,Decoy,0,-9.19923,-8.09,-1.55,-8.328556496244445
O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@@H]1c1cccs1,C23845257_decoy,GCR,Decoy,0,-11.2201,-3.05,-3.28,-4.465090248829857
O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@H]1c1ccccc1,C25902736_decoy,GCR,Decoy,0,-10.1592,-4.96,-2.98,-5.001465394849718
CCCOc1ccc(Br)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2,C32116873_decoy,GCR,Decoy,0,-10.3319,-3.52,,99.0
Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)cc(Cl)c2)cc1C,C32641115_decoy,GCR,Decoy,0,-10.0266,-6.82,-1.34,-8.336515591514047
CCCCCc1ccc(C(=O)N2CCC3(CC2)SCCN3C(=O)c2cccc(C)c2)cc1,C35303925_decoy,GCR,Decoy,0,-12.0609,-3.7,-3.32,-5.174602967056913
O=C(C[C@H](c1cccs1)c1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1,C35372454_decoy,GCR,Decoy,0,-10.0602,-10.71,-2.44,-14.734076672037071
Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)CC(C)C)C(=O)N2Cc1c(F)cccc1F,C35744999_decoy,GCR,Decoy,0,-7.82313,-2.77,-1.15,-3.487579762925084
O=C(/C=C/c1ccc(Cl)cc1)N1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1,C13983805_decoy,GCR,Decoy,0,-7.31141,-5.54,-3.42,-4.415537695619214
Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccccc2C(F)(F)F)cc1,C36702055_decoy,GCR,Decoy,0,-8.81812,-5.13,-1.25,-4.568826178926623
Cc1cc(S(=O)(=O)N(Cc2ccsc2)c2ncccc2C)c(Cl)cc1Cl,C44445569_decoy,GCR,Decoy,0,-10.8125,-2.98,-2.09,-4.194604839366597
O=C(c1ccc(COc2ccc(Br)cc2)o1)N1CCc2sccc2C1,C46912092_decoy,GCR,Decoy,0,-9.57536,-9.59,-1.37,-9.999853867520416
C[C@@H](C#N)SC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F,C03365064_decoy,GCR,Decoy,0,-11.6734,-3.9,-4.13,-5.242190296407324
Cc1ccccc1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCCN(Cc1sccc1C)C2,C14992387_decoy,GCR,Decoy,0,-6.98257,-6.27,-4.52,-3.927157864950145
Cn1c(SCC(=O)c2ccc(I)cc2)nnc1-c1ccccc1,C18774464_decoy,GCR,Decoy,0,-9.34371,-8.94,-1.32,-10.720374990244435
CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1,C60367377_decoy,GCR,Decoy,0,-8.33146,-3.45,-0.87,-4.17214982735966
Cc1ccc(S[C@H](c2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccc(Br)cc2)cc1,C08439733_decoy,GCR,Decoy,0,-9.47967,-2.99,-4.43,-4.331377381900264
C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccc(C)cc2)SC1=S,C08872420_decoy,GCR,Decoy,0,-10.8312,-7.94,-5.16,-9.483968171921523
C[C@H]1CCc2c(sc3nc(SCC(=O)N(C)C4CCCCC4)n(-c4ccccc4)c(=O)c23)C1,C02614241_decoy,GCR,Decoy,0,-7.57963,-3.49,-4.27,-3.4325588092784587
O=C1C=C/C(=N\S(=O)(=O)c2ccc(Br)cc2)C=C1Sc1nc2ccccc2s1,C09030574_decoy,GCR,Decoy,0,-10.5999,-3.32,-1.82,-4.161804173769255
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)SC2=S)cc1,C09057094_decoy,GCR,Decoy,0,-11.7549,-2.22,-5.61,-4.527242763297189
COC(=O)Cn1/c(=N/C(=O)c2ccccc2I)sc2cc(Cl)ccc21,C09077255_decoy,GCR,Decoy,0,-10.2549,-3.41,-5.29,-4.377079465942228
O=C1/C(=C/c2ccccc2OCCCOc2ccccc2Cl)SC(=S)N1c1ccccc1,C09113152_decoy,GCR,Decoy,0,-9.39093,-9.41,-3.73,-9.64742146005578
CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1,C09241850_decoy,GCR,Decoy,0,-10.5702,6.43,-2.18,-1.4732098285065285
O=C(Oc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1F,C01162102_decoy,GCR,Decoy,0,-6.53518,-1.86,-3.9,-2.1922561041673783
Cc1cc(Cl)cc2sc(N(C[C@@H]3CCCO3)C(=O)CCSc3ccc(Cl)cc3)nc12,C10526859_decoy,GCR,Decoy,0,-11.155,-8.12,-1.74,-9.94059696429605
O=C(CCSCc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccc(Br)cc2s1,C10615884_decoy,GCR,Decoy,0,-12.0753,-3.84,-2.95,-5.339285180224129
O=C(CCCSc1ccc(Cl)cc1)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1,C10872405_decoy,GCR,Decoy,0,-11.7864,-3.55,-3.37,-5.1191822450957405
O=C(CCCSc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1,C10872424_decoy,GCR,Decoy,0,-11.8085,-4.57,-2.33,-5.941641402021717
O=C(CCCSc1ccc(Cl)cc1)N(C[C@@H]1CCCO1)c1nc2ccc(Cl)cc2s1,C11061356_decoy,GCR,Decoy,0,-10.1417,-3.19,-1.45,-4.63787565929457
O=C(c1ccc(Br)s1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1,C11075516_decoy,GCR,Decoy,0,-12.1502,-3.42,-2.37,-4.823968680886335
Cc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3sc4c(c3c2=O)CCCC4)cc1,C12487135_decoy,GCR,Decoy,0,-6.37934,-3.3,-4.76,-3.022596593597073
O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)OCc1ccc(Br)cc1,C12656807_decoy,GCR,Decoy,0,-10.8323,-6.05,-2.04,-7.2312287934136945
COCCn1/c(=N/C(=O)CCCSc2ccc(F)cc2)sc2cc(Br)ccc21,C12629570_decoy,GCR,Decoy,0,-12.1774,-6.19,-2.81,-8.205654396214069
Cc1cc(C(=O)CSc2nnc3ccc4ccccc4n23)c(C)n1-c1cc(Cl)ccc1Cl,C00630394_decoy,GCR,Decoy,0,-8.09928,-3.76,-2.52,-3.846330905069556
COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(OC)c1,C13148645_decoy,GCR,Decoy,0,-10.907,-8.55,-2.36,-19.738621648710524
N#C/C(=C1/SC=C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1)c1nnc2n1CCCCC2,C03185196_decoy,GCR,Decoy,0,-11.0935,-4.12,-4.34,-4.730493357180284
CCc1ccc(N(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)C(=O)c2ccc(Cl)c(Cl)c2)cc1,C13856135_decoy,GCR,Decoy,0,-11.311,-3.92,-3.16,-2.258934688540384
Cc1cc(Br)cc(Br)c1OCC(=O)Oc1ccc(Br)cc1C=O,C14017476_decoy,GCR,Decoy,0,-10.8159,-7.38,-2.2,-9.313340706607844
Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)C(c2ccccc2)c2ccccc2)C2CC2)cc1,C16500205_decoy,GCR,Decoy,0,-4.58148,-3.89,-3.76,-1.896723431315061
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)C(=O)c1cccc2ccccc12,C16502605_decoy,GCR,Decoy,0,-8.5151,-4.78,-2.89,-4.65117364556436
CCCCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2C)C(C)C)cc1,C16529237_decoy,GCR,Decoy,0,-5.63396,-2.25,-2.13,-2.763922233516112
Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)CN(CCC(C)C)C(=O)c1ccc(Cl)cc1,C16530188_decoy,GCR,Decoy,0,-8.62729,-2.33,-1.99,-3.664633134620068
CCCCCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)CC)C2=O)c2cc(Br)ccc21,C16731821_decoy,GCR,Decoy,0,-10.2083,-3.82,-2.68,-5.127004225192591
CCn1cc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)c2ccccc21,C16850753_decoy,GCR,Decoy,0,-7.42597,-3.32,-2.83,-3.3490077125762823
C=CCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)c2cc(Cl)ccc2SCC=C)CC1,C19893640_decoy,GCR,Decoy,0,-11.1973,-3.21,-3.65,-4.961466603016453
Brc1ccccc1-c1nnc(CSc2ncnc3sc(-c4ccccc4)cc23)o1,C22133694_decoy,GCR,Decoy,0,-10.388,-3.92,-6.87,-4.53009550337294
Clc1cnn(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)c1,C22750938_decoy,GCR,Decoy,0,-10.3324,-3.24,,99.0
O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,C14080695_decoy,GCR,Decoy,0,-10.3171,-0.02,-3.04,-3.401269172781057
O=C(c1ccc(C(F)(F)F)cc1F)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1,C25150372_decoy,GCR,Decoy,0,-10.0691,-3.36,-5.4,-4.406609074300375
CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2Cl)nn(CN2C[C@@H](C)O[C@H](C)C2)c1=S,C25460835_decoy,GCR,Decoy,0,-11.0813,-3.06,-4.29,-4.684851669459953
CCCC[C@H](CC)CN1C(=O)/C(=C2\C(=O)N(CC)c3ccc(Br)cc32)SC1=S,C33680564_decoy,GCR,Decoy,0,-11.7925,-2.13,-2.73,-4.856564465438434
Cc1ccc(-n2c([C@H](C)N(C)C(=O)[C@@H](Cl)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1,C35070873_decoy,GCR,Decoy,0,-6.67615,-3.5,-3.27,-3.285681078773194
Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc(Cl)cc2Cl)cc1,C35382186_decoy,GCR,Decoy,0,-12.2567,-0.43,-2.27,-8.408579840593974
CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C35382455_decoy,GCR,Decoy,0,-4.92477,-3.23,-4.67,-2.4482377848314627
CC(C)c1nc(N2CCN(C(=O)CSc3ccccc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C35525163_decoy,GCR,Decoy,0,-10.1203,-2.69,-4.69,-4.335725385467413
CC(C)CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)c1ccc2ccccc2c1,C35767939_decoy,GCR,Decoy,0,-4.21113,-3.04,-3.77,-2.3853476649624774
CCCc1nc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C35866051_decoy,GCR,Decoy,0,-7.36048,-3.13,-4.43,-3.3798129370103105
Cn1cc([C@H](CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)c2ccccc21,C35891354_decoy,GCR,Decoy,0,-12.5343,-4.91,-4.06,-5.6901303565306485
C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc12,C35938514_decoy,GCR,Decoy,0,-4.89324,-3.88,-2.96,-2.768972484354326
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CBr)c(Br)c1,C37516522_decoy,GCR,Decoy,0,-9.67533,-6.99,-1.79,-8.33284081033708
O=C(C1c2ccccc2Oc2ccccc21)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1,C36675957_decoy,GCR,Decoy,0,-8.7428,-3.76,-2.25,-4.020227921369952
O=C(CCCSc1ccc(F)cc1)N(Cc1ccncc1)c1nc2ccc(Br)cc2s1,C38836347_decoy,GCR,Decoy,0,-11.5272,-8.75,,99.0
Cc1ccc(-c2cc(C(F)F)nc3c2C2=NC(c4ccc(OC(F)F)cc4)=NC(=O)[C@H]2S3)cc1,C39440716_decoy,GCR,Decoy,0,-9.46158,-2.32,-2.33,-3.642596826000605
CCCCCCN1C(=O)/C(=C2/SC(=S)N([C@@H](C)CC)C2=O)c2cc(Br)ccc21,C39983412_decoy,GCR,Decoy,0,-8.13668,-2.46,-3.22,-3.389198966110946
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)N1CCc2ccccc21,C44086387_decoy,GCR,Decoy,0,-10.5339,-8.2,-4.99,-10.995779622666689
Cc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2c2ccccc2)o1,C04180123_decoy,GCR,Decoy,0,-8.5813,-4.38,-3.17,-4.041446480926401
Clc1ccccc1-c1nnc(SCc2cn3cc(Br)ccc3n2)n1C1CCCC1,C03307160_decoy,GCR,Decoy,0,-10.2961,-3.93,-0.82,-4.399091348050073
O=c1c2ccccc2nc(SCc2csc3ccc(Cl)cc23)n1Cc1ccc2c(c1)OCO2,C02970034_decoy,GCR,Decoy,0,-7.63837,-9.33,-3.18,-5.932644367182587
O=C(c1cc(-c2cccs2)nc2ccccc12)N(Cc1ccccn1)c1nc2ccc(F)cc2s1,C09402215_decoy,GCR,Decoy,0,-8.17994,-3.33,-4.38,-3.4284967136422955
COc1ccc(SCCC(=O)/N=c2\sc3cc(Br)ccc3n2CCSC)cc1,C09563427_decoy,GCR,Decoy,0,-10.7755,-3.79,-3.31,-5.076718127402844
COc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)c3sc4ccccc4c3Cl)nc12,C10526227_decoy,GCR,Decoy,0,-12.2462,-3.89,-3.24,-5.475646389526195
COc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)c3sc4ccccc4c3Cl)nc12,C10526228_decoy,GCR,Decoy,0,-10.5901,-4.05,-2.76,-4.937014425467626
Cc1ccc(-c2csc3nc(SCC(=O)c4ccccc4F)n(-c4ccccc4)c(=O)c23)cc1,C01801641_decoy,GCR,Decoy,0,-9.96152,-2.98,-3.73,-4.422133792163256
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccc(Cl)cc5)cc4)CC(=O)N3C2)cc1,C12251098_decoy,GCR,Decoy,0,-7.41847,17.96,-1.33,2.990885340935842
Cc1cc(C(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)c(C)n1C1CCCC1,C12559300_decoy,GCR,Decoy,0,-6.76148,-2.16,-3.64,-2.9871001539134787
O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccccc12)N1CCC(c2ccccc2)=N1,C13095601_decoy,GCR,Decoy,0,-9.28022,-3.7,-1.81,-4.367701553270959
N#CC1(C#N)[C@@H](c2ccc(-c3ccccc3)cc2)[C@H](C(=O)C(F)(F)F)N2c3ccc(Cl)cc3C=C[C@@H]21,C08863806_decoy,GCR,Decoy,0,-6.37816,1.35,-3.18,-1.524329908969485
CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccccc2I)C1C(=O)OC1CCCCC1,C00799459_decoy,GCR,Decoy,0,-5.76703,-3.98,-2.29,-2.661024691501109
CC[C@@H](C)n1c(SCCOc2ccc(Br)cc2)nc2sc3c(c2c1=O)CCCC3,C02630172_decoy,GCR,Decoy,0,-9.63208,-6.83,-2.11,-7.706236758511038
FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)ncc2-c2cnc3ccccc3n2)cc1,C01743166_decoy,GCR,Decoy,0,-5.54531,-3.47,-2.67,-2.5470598304732213
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)CCC1CCCC1,C16487425_decoy,GCR,Decoy,0,-10.1661,-2.89,-2.22,-4.923617795088359
Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2cccc(Br)c2)cc1,C16499774_decoy,GCR,Decoy,0,-10.5959,-2.06,-2.84,-4.138249838144316
CCCCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccc(C)cc2)C(C)C)cc1,C16500013_decoy,GCR,Decoy,0,-6.40857,-3.02,-1.67,-3.343771587703111
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C)cc1,C16503477_decoy,GCR,Decoy,0,-6.5291,-2.55,-3.4,-3.2998283490994806
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)C(C)(C)CCl,C16504196_decoy,GCR,Decoy,0,-6.0541,-2.99,-3.19,-3.253363439136874
O=C(CCC1CCCC1)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C1CC1,C16528531_decoy,GCR,Decoy,0,-11.4021,-4.59,-4.37,-5.974628126383018
Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)CN(CC(C)C)C(=O)c1ccc(Cl)c(Cl)c1,C16529114_decoy,GCR,Decoy,0,-9.84581,-2.53,-2.37,-4.156842320064007
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)C(c1ccccc1)c1ccccc1,C16529390_decoy,GCR,Decoy,0,-10.3112,-9.61,-2.67,-10.841974123275264
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1,C17474121_decoy,GCR,Decoy,0,-10.706,-4.5,-2.59,-4.777296014188403
O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1F,C29503402_decoy,GCR,Decoy,0,-9.34583,-4.07,-5.39,-4.261185730513832
Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1,C32124608_decoy,GCR,Decoy,0,-10.0219,-4.06,-3.15,-4.795187154149191
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1,C32124748_decoy,GCR,Decoy,0,-10.3048,-2.96,-0.86,-4.087369343530482
CCN(CC)C(=O)Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccc(Cl)c(Cl)c3)c12,C32975126_decoy,GCR,Decoy,0,-10.3926,-3.54,-4.93,-4.592825394368789
O=C(c1ccc2ccccc2c1)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C1CC1,C35229901_decoy,GCR,Decoy,0,-6.90949,-4.48,-2.91,-3.97730793200147
O=C(c1ccc2ccccc2c1)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1)C1CC1,C35229905_decoy,GCR,Decoy,0,-8.46224,-4.14,-3.47,-4.133617624470054
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(CCC(C)C)C(=O)[C@@H]1C[C@H]1c1ccccc1,C35808888_decoy,GCR,Decoy,0,-7.81676,-4.21,-2.98,-4.38204987758817
O=C(c1ccccc1F)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c23)CCCC4)CC1,C35849184_decoy,GCR,Decoy,0,-6.07716,-2.66,-3.86,-2.6207477667659536
CC[C@H](C)c1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c2c3c(sc2n1)CCCC3,C35849345_decoy,GCR,Decoy,0,-9.38811,6.9,-4.92,-0.936142651967535
O=C(/C=C/c1ccc(SC(F)F)cc1)N1CCN(C(=O)/C=C/c2ccc(SC(F)F)cc2)CC1,C12192107_decoy,GCR,Decoy,0,-11.9615,7.06,-3.48,-2.067935327102794
Cc1ccc(/C=N/N(C(=O)c2ccccc2I)c2nc3ccccc3s2)cc1,C39713197_decoy,GCR,Decoy,0,-10.3688,-1.37,-3.1,-6.002516126445765
CN(C)c1ccc(C(=O)N(/N=C/c2ccc(F)cc2)c2nc3ccc(Br)cc3s2)cc1,C39713813_decoy,GCR,Decoy,0,-11.4369,2.31,-4.44,-3.3385891480061067
O=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1ccc(Cl)c(Cl)c1,C39861020_decoy,GCR,Decoy,0,-12.8151,-9.84,-3.16,-8.868941660836022
CC[C@@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@H](C)O3)SC1=S,C40022431_decoy,GCR,Decoy,0,-5.57442,-2.6,-3.34,-2.3292926871908377
CC(C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)C[C@@H](C)CC(C)(C)C,C16487267_decoy,GCR,Decoy,0,-6.05352,-3.93,-4.74,-3.2498047103322976
COC(=O)[C@@]1(C)CC(=O)[C@@]2(C)CC[C@@]3(C)C(=C2C1)C=C[C@@H]1[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]2CC[C@@]13C,C43741766_decoy,GCR,Decoy,0,-6.74988,-2.87,-1.54,-3.054283338150025
CN(C)c1ccc(/C=C/C(=O)c2c(-c3ccc(Br)cc3)nc3n(C)c4ccccc4n23)cc1,C43867485_decoy,GCR,Decoy,0,-6.34287,30.84,-2.82,7.545672258913505
O=C1/C(=C/c2cccc(Br)c2)S/C(=N/N=C\c2ccc(Cl)cc2)N1Cc1ccco1,C47137891_decoy,GCR,Decoy,0,-10.6437,-3.56,-1.77,-3.892325577203149
CCOc1ccc(/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1,C15133553_decoy,GCR,Decoy,0,-6.4681,-2.91,-3.49,-1.3104530830637613
CCOc1ccc(/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1,C15133557_decoy,GCR,Decoy,0,-7.57426,-3.18,-4.69,-1.5053134126134342
C=CCn1/c(=N\C(=O)c2cc(Br)ccc2Cl)sc2cc(S(C)(=O)=O)ccc21,C38873390_decoy,GCR,Decoy,0,-11.5497,-5.63,-4.25,-5.125396852766105
CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccccc3Cl)C4)C2=O)c2ccccc21,C41589058_decoy,GCR,Decoy,0,-12.9618,-3.7,-4.68,-5.056480847166569
O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c3c(ccc12)OCN(CCc1cccs1)C3,C41668720_decoy,GCR,Decoy,0,-11.8288,-3.64,-2.69,-4.848450250417724
COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=Nc5ccc(C)cc5)(c5ccccc54)[C@H]3C2=O)cc1,C12447519_decoy,GCR,Decoy,0,-7.0501,8.33,-3.73,0.400252137396216
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C=Nc3ccc(C)cc3)c3ccccc32)cc1,C12447524_decoy,GCR,Decoy,0,-6.40026,5.24,-4.05,-0.1564337052436561
O=c1c2sccc2n2c(SCc3cccc(Br)c3)nnc2n1Cc1ccc(F)cc1,C35529363_decoy,GCR,Decoy,0,-9.91444,-9.51,-2.01,-8.624974541380778
Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1,C00686335_decoy,GCR,Decoy,0,-12.7736,-3.26,-4.2,-5.456314167926534
O=C(CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1)N1CCCCC1,C00716254_decoy,GCR,Decoy,0,-10.7378,-4.13,-3.53,-4.815671485561008
O=C(CSc1ncnn1CC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1,C03117189_decoy,GCR,Decoy,0,-10.1184,-7.38,-1.2,-8.239352823055032
COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)c1cc(Br)ccc1Br)CC2,C09128620_decoy,GCR,Decoy,0,-10.8897,-5.43,-3.18,-7.537171520553269
O=C1c2ccccc2C(=O)N1CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1,C09284405_decoy,GCR,Decoy,0,-9.83144,-3.51,-2.04,-4.419867303510835
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1,C09461861_decoy,GCR,Decoy,0,-7.88225,-2.09,-4.77,-3.10750179942893
CSCCn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(S(C)(=O)=O)ccc21,C09564288_decoy,GCR,Decoy,0,-11.5365,-4.48,-1.64,-8.046839080731115
Cc1cccc(N2CCN(C(=O)c3ccc(C[S@@+]([O-])c4ccc(Br)cc4)o3)C[C@@H]2C)c1,C09693877_decoy,GCR,Decoy,0,-11.0492,-3.21,-3.64,-4.330137127653451
COCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F,C09805060_decoy,GCR,Decoy,0,-11.482,-2.53,-3.2,-4.752036913876446
Cn1c(SCc2cc(=O)n3c(-c4ccccc4)csc3n2)nc2sc3c(c2c1=O)CCCC3,C09858672_decoy,GCR,Decoy,0,-8.5575,-5.05,-2.7,-4.372742500361997
CSc1cccc2sc(N(CCc3cccs3)C(=O)c3cccc(S(C)(=O)=O)c3)nc12,C10097429_decoy,GCR,Decoy,0,-12.9905,-3.54,-4.13,-5.648996149668014
O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)N1CCCC[C@H]1c1cccnc1,C01423807_decoy,GCR,Decoy,0,-11.7406,-1.8,-1.99,-4.163590704156953
Cc1ccc2nc(-c3cccs3)c(CN(CCCN3CCCC3=O)C(=O)C3CCCCC3)cc2c1,C12247956_decoy,GCR,Decoy,0,-9.2435,-3.18,-3.1,-4.1876585720816895
CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1-c1ccccc1C,C02362417_decoy,GCR,Decoy,0,-9.70824,-2.88,-1.84,-3.89544923786253
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1,C13713763_decoy,GCR,Decoy,0,-8.09863,-3.01,-4.86,-3.845118961218794
O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1,C13856593_decoy,GCR,Decoy,0,-10.7239,-8.12,-0.64,-10.068622695993028
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1,C16508611_decoy,GCR,Decoy,0,-11.5222,-3.51,-4.35,-5.2271939477524185
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1,C16508615_decoy,GCR,Decoy,0,-11.4013,-9.78,-5.5,-10.968430741074044
COc1ccc(C(=O)N(CCC(C)C)CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2C)cc1,C16530184_decoy,GCR,Decoy,0,-10.1776,-3.38,-3.46,-4.972353181392
Cc1sc2nc(SCc3ccc(Br)cc3)n(CCCN3CCOCC3)c(=O)c2c1C,C20343367_decoy,GCR,Decoy,0,-11.5846,-2.28,-3.73,-4.553809985092455
CCSc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1,C20590570_decoy,GCR,Decoy,0,-11.7834,-3.49,-4.28,-5.460904136549535
Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)CCSc3ccc(Cl)cc3)nc2c1,C12494413_decoy,GCR,Decoy,0,-9.38937,-4.23,-3.4,-4.08003283205916
Cc1c(Cl)ccc2sc(N(CCN3CCOCC3)C(=O)CSc3ccc(Cl)cc3)nc12,C12494711_decoy,GCR,Decoy,0,-11.6636,-3.7,-3.46,-5.329514573726045
Cc1ccc(SCC(=O)N(CCCN2CCOCC2)c2nc3c(C)cc(Cl)cc3s2)cc1,C20801491_decoy,GCR,Decoy,0,-11.4844,-4.43,-3.41,-5.676913579950674
CC(=O)N(c1ccccc1)c1nc(COC(=O)CSc2ccc(Br)cc2C)cs1,C21284309_decoy,GCR,Decoy,0,-11.6006,-7.84,,99.0
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1,C27531818_decoy,GCR,Decoy,0,-12.3621,-8.21,-3.59,-9.378506564657808
CCCN1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)N(c2ccccc2)C1=S,C32109818_decoy,GCR,Decoy,0,-6.6018,-2.59,-1.92,-2.9367038917106347
CCC(=O)N(CCN1CCN(C(=O)c2cccc(Br)c2)CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C,C00744453_decoy,GCR,Decoy,0,-9.94287,-3.31,-3.35,-4.527485088755143
Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1,C33468440_decoy,GCR,Decoy,0,-5.19481,-5.38,-2.69,-3.083160998275817
CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccccc1)C(=O)CSc1ccccc1,C34689679_decoy,GCR,Decoy,0,-4.50673,-2.89,-3.11,-2.429164887413713
C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Cc1cccs1,C34830533_decoy,GCR,Decoy,0,-9.70858,-4.55,-2.05,-4.9509194376782295
N#C[C@@H](C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)cs1,C35569264_decoy,GCR,Decoy,0,-10.421,-6.41,-4.29,-7.873576963118817
C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CSc1ccccc1,C35938484_decoy,GCR,Decoy,0,-10.2865,-4.43,-4.33,-4.825625121800573
Cc1ccccc1C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C,C35938803_decoy,GCR,Decoy,0,-5.70148,-2.67,-3.34,-2.7298290318066045
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccccc1,C36116375_decoy,GCR,Decoy,0,-10.7299,-4.3,-3.8,-5.321341188405736
Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2ccc(C)cc2)cc1,C36119780_decoy,GCR,Decoy,0,-6.70634,-4.12,-2.62,-3.858569069860071
Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)c2cccc(F)c2)cc1,C36119784_decoy,GCR,Decoy,0,-9.16152,-4.35,-4.93,-4.789311635712361
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)c1ccc(F)cc1,C36121410_decoy,GCR,Decoy,0,-9.91891,-3.58,-1.01,-4.966819426228439
Cc1ccc(-c2nc3sc4cc(Cl)ccc4n3c2CN2CCN(C(=O)c3ccco3)CC2)cc1,C37399612_decoy,GCR,Decoy,0,-9.03623,-4.14,-2.61,-4.23211743741271
CCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)SC1=S,C39836100_decoy,GCR,Decoy,0,-6.4187,-3.49,-5.11,-2.6980173809350187
O=C(C1CCN(c2ccc(-c3noc(-c4cccs4)n3)cc2F)CC1)N1CCc2ccccc2C1,C40902503_decoy,GCR,Decoy,0,-13.1721,-3.93,-2.04,-5.750136069205044
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCc2sccc2[C@@H]1c1cccs1,C45620490_decoy,GCR,Decoy,0,-6.27499,-4.03,-15.79,-3.2217795025578515
CCCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C32506529_decoy,GCR,Decoy,0,-6.23444,-3.88,-4.4,-3.582462721568961
CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C32506540_decoy,GCR,Decoy,0,-6.00877,-4.14,-4.83,-3.0431810637706285
CC[C@@H](C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C32506546_decoy,GCR,Decoy,0,-6.56883,-3.3,-3.12,-3.063632687026241
CCC(CC)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C32506563_decoy1,GCR,Decoy,0,-9.72837,-1.57,,-3.619695513782603
Cn1c(SCC2=NC(=O)C3=C(c4ccccc4)CSC3=N2)nc2sc3c(c2c1=O)CCCC3,C39946769_decoy,GCR,Decoy,0,-8.53718,-4.22,-3.94,-4.533462296789115
C[C@H]1SC2=NC(SCC(=O)N(C)C[C@@H]3CC=C(Cl)S3)=NC(=O)C2=C1c1ccc(F)cc1,C64131458_decoy,GCR,Decoy,0,-10.8665,-3.01,-3.74,-4.568879547159414
O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21,C08767718_decoy,GCR,Decoy,0,-5.57889,-4.96,-4.51,-3.0187238541449983
CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C32506563_decoy2,GCR,Decoy,0,-6.59145,-2.75,,-2.836052096651489
CCOC(=O)c1c(NC(=O)c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2Br)sc2c1CCC2,C00688921_decoy,GCR,Decoy,0,-12.6613,-5.87,-4.61,-8.33580966487498
O=C(CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2)Nc1ccccc1C(F)(F)F,C03771288_decoy,GCR,Decoy,0,-6.88604,-3.02,-4.05,-3.3711378885377257
Cc1cc2c(cc(C(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)n2Cc2c(F)cccc2Cl)o1,C08911511_decoy,GCR,Decoy,0,-11.6737,-4.05,-2.9,-5.778802150374643
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3CC)cc2)sc2cc(C)ccc21,C09077739_decoy,GCR,Decoy,0,-6.43843,-4.09,-3.75,-3.573779720388579
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3CC)cc2)sc2cc3c(cc21)OCCO3,C09300560_decoy,GCR,Decoy,0,-6.12662,-3.76,-1.79,-3.027526690710274
COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)cc1,C09432273_decoy,GCR,Decoy,0,-6.91334,-4.6,-5.13,-3.837517808508101
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2cc1C,C10526513_decoy,GCR,Decoy,0,-8.44418,-2.72,-1.55,-3.8475817026849817
Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc12,C10887557_decoy,GCR,Decoy,0,-12.2161,-2.81,-4.78,-4.975369658260414
CCc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2c1,C11071895_decoy,GCR,Decoy,0,-9.6593,0.03,-4.02,-4.626229114451433
Clc1ccc2nc(-c3ccc4c(c3)OCO4)c(Cc3c(-c4ccc5c(c4)OCO5)nc4ccc(Cl)cn34)n2c1,C12958809_decoy,GCR,Decoy,0,-6.32009,-3.95,-3.68,-2.869532575264267
CCOc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccc(C)cc3)c(SCC(=O)C(C)(C)C)nc21,C03034416_decoy,GCR,Decoy,0,-5.76648,-3.71,-3.92,-3.08117864372559
Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1Cl,C16712803_decoy,GCR,Decoy,0,-12.3201,14.12,-3.87,0.6354603293590103
CN1CCN(C(=O)CCc2cn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc23)CC1,C20650080_decoy,GCR,Decoy,0,-12.6943,-4.72,-4.3,-5.9469666717541845
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4C)S3)[C@H](c3ccc(C)cc3)C2)cc1,C20904062_decoy,GCR,Decoy,0,-8.57221,-1.04,-3.31,-3.255802584949
CSc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c2ccc(C)cc2)cc1,C22345255_decoy,GCR,Decoy,0,-7.89057,-4.31,-4.63,-3.504360677625132
C[C@H](NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(N2CCCC2)cc1,C22367059_decoy,GCR,Decoy,0,-7.03761,-3.89,-3.48,-3.552826317693341
CCOc1ccc(-c2ccc(C(=O)N3CCN(c4ccc(NC(=O)c5ccc(C)cc5)cn4)CC3)s2)cc1,C25153555_decoy,GCR,Decoy,0,-6.88875,-4.01,-3.04,-3.5014555359239528
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1C,C26687356_decoy,GCR,Decoy,0,-7.37739,-3.17,-4.61,-3.5198275298080253
CC(C)C12CN(C(=O)Cc3cccc4ccccc34)CC(C)(CN(C(=O)Cc3cccc4ccccc34)C1)C2=O,C27577997_decoy,GCR,Decoy,0,-8.47422,-4.03,-3.68,-4.343224364466393
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C28116057_decoy,GCR,Decoy,0,-6.32115,-3.19,-3.75,-2.8609375964668624
COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)S2)cc1,C28155693_decoy,GCR,Decoy,0,-7.0179,-4.44,-4.3,-3.9796942429817928
O=C(C[C@H](c1ccc2c(c1)OCO2)c1cnc2ccc(Cl)cn12)N1CCN(C/C=C/c2ccccc2)CC1,C33467305_decoy,GCR,Decoy,0,-7.10323,-4.3,-4.53,-4.016412552677969
CC(C)(CCl)C(=O)N1CCN(CCN(CC2=CC[C@@H]3C[C@H]2C3(C)C)C(=O)Nc2ccc(Cl)cc2)CC1,C35097087_decoy,GCR,Decoy,0,-7.88878,-4.81,-2.42,-4.636558625218421
C[C@H]1CN(C(=O)CCCSc2nnc(-c3ccccc3)n2-c2ccccc2)CCN1C(=O)C1CCCCC1,C35175000_decoy,GCR,Decoy,0,-9.66848,-7.97,-3.95,-6.955211705581027
CCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)ccc1OCCC(C)C,C35514128_decoy,GCR,Decoy,0,-7.55613,-2.58,-3.3,-3.382934858862503
COc1cc(OC)cc(C(=O)N2CCN(c3nc(C4CCCCC4)nc4sc5c(c34)CC[C@H](C)C5)CC2)c1,C35525049_decoy,GCR,Decoy,0,-8.30942,12.31,-4.47,1.4007997807185677
Cc1ccc(C(=O)N(CCC(C)C)CC(=O)N2CCCN(c3ccc(-c4ccccc4Cl)nn3)CC2)cc1,C35712651_decoy,GCR,Decoy,0,-8.13291,-4.44,-3.76,-4.486163365015308
COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(Cl)c(C)c2)C(C)C)cc1,C36116097_decoy,GCR,Decoy,0,-11.4303,-4.2,-4.02,-5.310168753305216
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2cccc(C)c21,C09767829_decoy,GCR,Decoy,0,-11.2891,-3.47,-4.33,-5.025358892915029
C=CCn1c(SCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)nnc1-c1ccc(C)cc1,C37397909_decoy,GCR,Decoy,0,-9.18453,-3.87,-3.85,-3.924491355205123
CCOc1cc(/C=C2/C(=O)N(Cc3ccc(C)cc3)C(=O)C(C#N)=C2C)ccc1OCc1ccc(Cl)cc1,C38608479_decoy,GCR,Decoy,0,-12.5363,-7.16,-4.57,-8.566392640821936
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1,C08793532_decoy,GCR,Decoy,0,-7.53631,-5.41,-3.57,-4.170593295424591
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S,C39716317_decoy,GCR,Decoy,0,-7.86415,-3.55,-3.6,-3.968804213351403
CCN1CCc2c(sc3nc(SCC(=O)Nc4ccc(Cl)cc4)n(-c4ccc(C)cc4)c(=O)c23)C1,C39869464_decoy,GCR,Decoy,0,-6.94864,1.13,-4.57,-1.922834928611952
C[C@H]1Oc2ccccc2C=C1/C=N/Nc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2,C40036907_decoy,GCR,Decoy,0,-7.91843,-5.28,-3.52,-3.968285912445879
CCCc1nc(-c2ccc(N3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)C3)c(F)c2)no1,C40876588_decoy,GCR,Decoy,0,-8.50431,-4.0,-3.98,-3.9907684345476944
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(c3ccc(-c4noc(C(C)C)n4)cc3F)C2)CC1,C40877138_decoy,GCR,Decoy,0,-7.82828,-2.68,-3.24,-3.196608222782152
CN(C(=O)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)c1ccc(OC(F)(F)Cl)cc1,C00720011_decoy,GCR,Decoy,0,-10.5841,11.97,-2.44,0.4826759774903303
Cn1c(Oc2ccc(Br)cc2Br)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C,C01235223_decoy,GCR,Decoy,0,-12.0196,-4.33,-1.29,-5.251911763051811
C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1cccnc1,C01238748_decoy,GCR,Decoy,0,-10.0691,-6.08,-1.51,-7.974628713952208
CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(SCC(=O)Nc5ccc(Br)cc5)ncnc4c23)CO1,C01249326_decoy,GCR,Decoy,0,-12.2806,-3.85,-2.24,-4.870513662700633
CC(C)c1nc(N2CCN(C(=O)CSCC(=O)N3CCCc4ccccc43)CC2)c2c3c(sc2n1)C[C@H](C)CC3,C01372084_decoy,GCR,Decoy,0,-8.85159,-4.72,-3.97,-4.684072620004883
C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1,C01759430_decoy,GCR,Decoy,0,-10.5499,-5.54,-3.64,-5.13278921747291
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1,C01780544_decoy,GCR,Decoy,0,-7.70169,-0.73,-1.07,-3.171929617931181
Cc1cc(OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)c(C(C)C)cc1Cl,C01875497_decoy,GCR,Decoy,0,-10.652,-4.05,-4.85,-4.912750511966326
Cc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)n4c5c(c6ccccc64)CCCC5)sc3c2)s1,C01876808_decoy,GCR,Decoy,0,-7.04449,-5.68,-2.34,-4.433857896083784
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21,C01877101_decoy,GCR,Decoy,0,-5.54527,-3.3,-4.01,-2.4868446709108234
CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)n(-c2ccccc2)c1=O,C01881408_decoy,GCR,Decoy,0,-5.13711,-3.51,-3.95,-2.6894094778822937
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccccc1,C03304333_decoy,GCR,Decoy,0,-5.8582,-4.49,-4.84,-3.1873946108936426
CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N(C(C)=O)N1C,C59720265_decoy,GCR,Decoy,0,-10.9693,-6.98,-3.27,-6.340461832153525
C=CCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-],C01696782_decoy,GCR,Decoy,0,-8.07851,-5.79,-0.78,-8.062114969681218
CCCc1cc(=O)oc2c(C)c(O[C@H](C(=O)[O-])c3ccccc3)ccc12,C02115057_decoy,GCR,Decoy,0,-8.06669,-4.86,-2.55,-4.498871931552024
CCCC/N=C1\S/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)N1CCCC,C05552212_decoy,GCR,Decoy,0,-9.82491,-3.49,-1.59,-4.5415226219220814
CCCCOc1ccc2ccccc2c1-c1nc(CC(=O)[O-])cs1,C05592355_decoy,GCR,Decoy,0,-9.40598,-7.88,-3.89,-8.700313075282027
O=C([O-])CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1,C02513414_decoy,GCR,Decoy,0,-9.32039,-6.86,-1.8,-7.594165234865918
O=C([O-])c1ccccc1S[C@@H](C[N+](=O)[O-])c1cccc2ccccc12,C01043922_decoy,GCR,Decoy,0,-7.05847,-8.98,-2.2,-8.411937984709327
O=C([O-])/C=C/c1cc(Cl)ccc1OCCOc1ccc(Cl)cc1,C11802861_decoy,GCR,Decoy,0,-9.14675,-7.19,-1.37,-14.454309416049169
COc1ccc(/C=C/C(=O)[O-])c(OCCOc2cc(C)cc(C)c2C)c1,C11824417_decoy,GCR,Decoy,0,-8.41457,-8.7,-4.67,-8.50499431092477
CSc1nc(Oc2ccc(Cl)cc2C(=O)[O-])cc(-c2ccccc2)n1,C11849608_decoy,GCR,Decoy,0,-9.06606,-8.98,-1.43,-9.575666380533828
C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C\C(=O)[O-],C11860648_decoy,GCR,Decoy,0,-9.08601,-7.89,-2.42,-8.757224323549975
C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C/C(=O)[O-],C11860649_decoy,GCR,Decoy,0,-9.91268,-7.78,-4.24,-8.849160710911868
COc1cc(Br)c(OC(C)(C)C(=O)[O-])c(C(C)(C)C)c1,C11883825_decoy,GCR,Decoy,0,-7.65206,-6.56,-1.27,-7.378201826388342
Cc1cccc(OCCOc2ccc(Cl)cc2/C=C/C(=O)[O-])c1C,C11886878_decoy,GCR,Decoy,0,-8.613,-8.0,-3.11,-12.87519455151063
O=C([O-])/C=C\c1cc(Cl)ccc1OCCOc1ccccc1Cl,C11890436_decoy,GCR,Decoy,0,-8.11694,-7.81,-0.96,-10.595222813181469
N#C/C(=C\c1ccc(Oc2ccccc2-c2ccccc2)cc1)C(=O)[O-],C11949795_decoy,GCR,Decoy,0,-10.0573,-10.05,-1.16,-9.15819791001816
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)[O-],C11961984_decoy,GCR,Decoy,0,-10.5203,-4.37,-0.63,-4.6654526608418525
N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-],C11962306_decoy,GCR,Decoy,0,-9.40935,-2.11,-0.69,-3.8200323502337423
CCCOc1ccc(Br)cc1-c1nc(C)c(C(=O)[O-])s1,C11993593_decoy,GCR,Decoy,0,-9.14295,-5.9,-3.43,-6.914993601268373
CC(C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)[O-])cc2)cc1,C11993711_decoy,GCR,Decoy,0,-8.48235,-9.59,-0.97,-11.601311649513631
Cc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc(C)c1OC(F)F,C13096652_decoy,GCR,Decoy,0,-8.98901,-4.18,-2.23,-4.062950434802625
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(C(=O)[O-])cc1,C02883140_decoy,GCR,Decoy,0,-10.3214,-10.71,-1.78,-8.93101950406405
O=C([O-])/C=C/c1ccc(Sc2ccc3ccccc3c2)c([N+](=O)[O-])c1,C13275783_decoy,GCR,Decoy,0,-7.89071,-5.33,-2.28,-4.894962477591418
Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(CC(=O)[O-])s1,C13307379_decoy,GCR,Decoy,0,-9.48715,-8.3,-1.06,-14.332875272633489
COC(=O)/C=C(\C)CC[C@]1(C)[C@H]2CCC=C(C(=O)[O-])[C@]2(C)CC[C@@H]1C,C13401025_decoy,GCR,Decoy,0,-9.53175,-3.81,-1.13,-4.44950705701683
O=C([O-])c1cc(Cl)c(OS(=O)(=O)/C=C/c2ccccc2)c(Cl)c1,C13463221_decoy,GCR,Decoy,0,-9.34094,-8.66,-5.37,-10.55818354634954
CC(=O)/C(Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)=C(/C)[O-],C05480826_decoy,GCR,Decoy,0,-8.88795,-5.59,-4.81,-4.906414685568879
CCCCCOc1ccccc1/C=N/n1c([S-])nnc1C(F)(F)F,C06067198_decoy,GCR,Decoy,0,-8.82535,-7.52,-0.64,-8.012335682884942
O=C(/C=C/c1cccc([N+](=O)[O-])c1[O-])c1ccc(-c2ccccc2)cc1,C21261066_decoy,GCR,Decoy,0,-7.83642,-8.4,-4.48,-6.091772600842663
Cc1ccc(CSc2nc(-c3cccs3)nc(C)c2C(=O)[O-])cc1,C22145639_decoy,GCR,Decoy,0,-9.42859,-5.18,-4.45,-4.821336693691779
CC[C@@H](C)n1c([S-])nnc1-c1cccc(OC(F)(F)C(F)F)c1,C02791918_decoy,GCR,Decoy,0,-7.70226,-7.44,-4.35,-9.786704938700574
CCCCOc1ccc(-c2nc(C)c(C(=O)OCC)c([S-])n2)cc1,C34764561_decoy,GCR,Decoy,0,-10.4872,-7.5,-1.1,-8.299705641115688
CC(C)CCOc1ccc(/C=C(/C#N)c2nc([O-])c3ccccc3n2)cc1,C04170209_decoy,GCR,Decoy,0,-9.10216,-3.37,-1.65,-4.289478990601961
O=C(CCCSc1nc([O-])c2ccccc2n1)c1ccc(F)cc1,C13637204_decoy,GCR,Decoy,0,-7.18604,-2.47,-1.69,-3.017985081643133
CCCc1cc([O-])nc(SCc2csc(-c3ccccc3)n2)n1,C08774553_decoy,GCR,Decoy,0,-9.41415,-8.39,-1.85,-8.444166653139176
CCCc1cc([O-])nc(SCc2cc(=O)oc3cc(CC)ccc23)n1,C11443407_decoy,GCR,Decoy,0,-8.93656,-5.86,-3.24,-5.172590667330937
CCCc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(C(C)(C)C)cc2)s1,C39994554_decoy,GCR,Decoy,0,-10.513,-4.18,-4.57,-5.534532753741407
[O-]c1cc(COc2ccccc2)nc(SCCOc2ccccc2)n1,C41632915_decoy,GCR,Decoy,0,-8.06249,-8.26,-3.17,-7.427020904522852
C[C@@H](CC[C@@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O)CC(=O)[O-],C43726961_decoy,GCR,Decoy,0,-8.8308,-4.29,-1.36,-4.645408894598426
C/C(=C\C(=O)[O-])CC[C@@H]1[C@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O,C43726963_decoy,GCR,Decoy,0,-8.83035,-4.19,-1.17,-4.477964513318431
C=C(C(=O)[O-])[C@H]1C[C@H](OC(=O)C[C@H](C)CC)[C@@]2(C)CCCC(=C)[C@@H]2C1,C49180772_decoy,GCR,Decoy,0,-9.21215,1.36,-0.94,-3.593341176575869
CSc1ccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)o2)cc1,C53994295_decoy,GCR,Decoy,0,-9.49063,-3.67,-2.78,-4.12978374261826
COc1ccc(/C=C2\SC([N-]c3ccc(Cl)cc3Cl)=NC2=O)c(OC)c1,C16692859_decoy,GCR,Decoy,0,-10.4234,-4.37,-3.1,-4.781530601194692
Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H](C)C(=O)[O-])n2)cc1,C06032768_decoy,GCR,Decoy,0,-8.33701,-8.35,-1.57,-7.052207297007802
COc1ccc(/N=C(\c2ccccc2)c2c([O-])cc(-c3ccccc3)oc2=O)cc1,C59370135_decoy,GCR,Decoy,0,-8.8658,-10.1,-3.05,-8.83884509151437
COc1ccc(/C([O-])=C(/C=N/c2ccccc2)C(=O)C(F)(F)F)cc1,C02712734_decoy,GCR,Decoy,0,-7.37415,-8.16,-3.39,-7.495369585475236
C[C@H](Oc1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1C(=O)[O-],C66143495_decoy,GCR,Decoy,0,-7.68589,-7.46,-0.76,-8.033101098807524
COc1ccc(Br)cc1C(=O)Oc1ccc(C(=O)[O-])cc1,C66144782_decoy,GCR,Decoy,0,-9.06968,-4.06,-1.83,-4.3873781715819655
Cc1cccc(-c2nnc([S-])n2CC(=O)OC2CCCCCCC2)c1,C66610212_decoy,GCR,Decoy,0,-9.16,-4.47,-2.79,-4.803441204730955
Cc1cccc(-c2nnc([S-])n2CC(=O)O[C@@H]2CCCC[C@@H]2C)c1,C66778715_decoy,GCR,Decoy,0,-9.48389,-4.26,-3.36,-4.443956305261651
Cc1cccc(-c2nnc([S-])n2CC(=O)OC[C@H]2CC=CC[C@@H]2C)c1,C55551018_decoy,GCR,Decoy,0,-9.98196,-3.49,-3.68,-4.622146578619089
Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(C)cc(C)c3)s2)cc1,C04392718_decoy,GCR,Decoy,0,-10.7439,-5.91,-4.36,-6.000250442248057
O=C(Nc1ccc(Cl)cn1)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F,C02268440_decoy,GCR,Decoy,0,-7.45092,-7.82,-1.48,-8.084607605718192
C[C@H]1C/C(=C\c2ccccc2)c2nc3ccccc3c(C(=O)O[C@H](C)C(N)=O)c2C1,C04550191_decoy,GCR,Decoy,0,-10.598,-5.62,-2.74,-5.710289736006103
CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC3)cc1,C02904326_decoy,GCR,Decoy,0,-11.3897,-4.1,-4.67,-5.330685147916663
COc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CC[C@@H](C)C3)cc1,C00722377_decoy,GCR,Decoy,0,-6.9514,-1.86,-5.04,-2.512794357631952
CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cccc(NC(C)=O)c1,C04849508_decoy,GCR,Decoy,0,-9.45052,-8.8,-3.33,-8.790733713508661
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2)C(N)=O,C05021587_decoy,GCR,Decoy,0,-10.0872,-3.29,-1.79,-4.382226933715987
O=C(CCCCl)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12,C05106955_decoy,GCR,Decoy,0,-9.72244,-5.1,-3.29,-5.413450724749084
CC(C)c1ccc(NC(=O)CSc2nc3cc(Br)cnc3[nH]2)cc1,C05249013_decoy,GCR,Decoy,0,-8.86508,-6.29,-0.94,-8.977752595811703
Cc1ccc(NC(=O)c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)cc1,C01329976_decoy,GCR,Decoy,0,-11.1074,-3.64,-4.49,-5.107341258265334
O=C(/C=C/c1cccc2ccccc12)NNC(=O)COc1cccc2ccccc12,C06252853_decoy,GCR,Decoy,0,-9.19016,-8.01,-2.27,-7.611746306064369
CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N/N=C/c1cccc(Cl)c1Cl,C06564081_decoy,GCR,Decoy,0,-8.98182,-4.23,-4.58,-4.510295763697971
CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1,C06657198_decoy,GCR,Decoy,0,-10.6513,-7.54,-2.36,-7.682386210365245
Oc1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2Cl)cc1,C06915038_decoy,GCR,Decoy,0,-10.4049,-10.14,-4.42,-9.95041696873679
C[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1O)c1ccc(Br)cc1,C07199078_decoy,GCR,Decoy,0,-8.97549,-8.42,-1.86,-15.257922501201
O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(C(F)(F)F)cc1,C09854266_decoy,GCR,Decoy,0,-9.43167,-8.02,-2.72,-8.201279847828012
CSc1nc2ccc3nc(NC(=S)NC(=O)c4ccc(C)cc4)sc3c2s1,C11852826_decoy,GCR,Decoy,0,-12.6951,-2.69,-1.14,-4.988901627437079
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(C2CCCC2)[nH]1)c1ccccc1,C12103757_decoy,GCR,Decoy,0,-9.09172,-9.17,-4.91,-8.43834771144288
Cc1cccc(NC(=O)CSCc2nc(O)c3c4c(sc3n2)CCCC4)c1C,C12495005_decoy,GCR,Decoy,0,-10.0469,-5.72,,99.0
Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1,C12580470_decoy,GCR,Decoy,0,-9.26115,-7.06,-1.02,-5.959057915270416
O=C(/C=C\c1ccccc1)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12,C13375060_decoy,GCR,Decoy,0,-7.91337,-6.7,-3.07,-5.285596650236418
CN(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@@H]3C=CC[C@H]32)cc1,C13643934_decoy,GCR,Decoy,0,-10.9364,23.19,-1.83,4.177193159308676
Cc1ccc(C)c(NC2=NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3Cl)S2)c1,C01622429_decoy,GCR,Decoy,0,-10.042,-5.99,-2.9,-5.772855363982494
CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(Br)cc2)n1,C17946324_decoy,GCR,Decoy,0,-9.66063,-8.9,-2.09,-13.15783501829097
COc1cc(OC)c(NC(=O)NCCc2csc3c2CC[C@H](C)C3)cc1Cl,C21088432_decoy,GCR,Decoy,0,-11.8406,-7.99,-4.99,-8.208558857466132
Cc1cccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2cccc3ccccc23)c1,C28310423_decoy,GCR,Decoy,0,-5.76786,-4.17,-3.51,-2.991834869191052
CCOc1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1,C01006651_decoy,GCR,Decoy,0,-10.8086,-4.2,-0.43,-4.941847828796608
Cc1ccc2nc(NCCCNC(=O)C34CC5CC(CC(C5)C3)C4)c(C#N)cc2c1,C35313097_decoy,GCR,Decoy,0,-10.3304,-6.42,-3.71,-5.957100522093548
Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1,C05867631_decoy,GCR,Decoy,0,-8.38518,7.11,-1.15,-0.5973676541239552
CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)C1CCCCC1,C14668220_decoy,GCR,Decoy,0,-10.5182,-5.61,-2.64,-6.660422732429139
CC(C)=CC(=O)N(c1ccccc1Cl)[C@H](C(=O)NC(C)(C)C)c1cccc(O)c1,C36546731_decoy,GCR,Decoy,0,-9.32553,-3.68,-0.98,-4.468542240009895
CC(C)(C)N(C(=O)c1ccc(O)cc1)[C@H](C(=O)NC1CCCCC1)C1CCCCC1,C36586303_decoy,GCR,Decoy,0,-7.01522,-2.45,-1.57,-3.2621227551413474
CC(C)(C)N(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NC1CCCCC1)C1CCCCC1,C36586304_decoy,GCR,Decoy,0,-10.1403,-2.32,-2.65,-4.255615684522875
C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(Cl)c(Cl)c1,C36822325_decoy,GCR,Decoy,0,-10.6768,-5.76,-2.68,-6.84852959128262
O=C(NCc1cccc2ccccc12)NC[C@@H](c1ccco1)N1CCc2ccccc21,C38632057_decoy,GCR,Decoy,0,-9.6251,-8.47,-2.76,-8.901187247076729
CCN1/C(=C/Cc2ccc(NS(=O)(=O)c3cccs3)cc2)Nc2ccccc21,C33116580_decoy,GCR,Decoy,0,-10.3746,-4.09,-3.47,-5.058787043183354
C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1,C43980294_decoy,GCR,Decoy,0,-10.3181,-10.52,-2.86,-16.479999569117897
O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1N1CCCCCC1,C46570765_decoy,GCR,Decoy,0,-10.0804,-3.75,-1.57,-4.840275210002073
C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCc2cccnc2)cc1,C46748024_decoy,GCR,Decoy,0,-10.6144,10.38,-3.54,-0.0883326961993577
O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1occc1-c1ccccc1,C49590068_decoy,GCR,Decoy,0,-5.62009,-5.41,-2.45,-3.4308319645360537
CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)NCC(C)C)cc1C,C51646380_decoy,GCR,Decoy,0,-11.4898,-6.99,-0.78,-8.250236611097547
Cc1ccc(C)c(NC(=O)C[C@@H]2S/C(=N\c3cccc(C(C)C)c3)NC2=O)c1,C55117867_decoy,GCR,Decoy,0,-9.00749,-8.06,-3.07,-7.165415383806532
O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(N2CCCCC2)cc1,C57381046_decoy,GCR,Decoy,0,-10.8139,-4.31,-2.19,-4.78495554485423
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN[C@H](c1ccccc1)c1cccs1,C57478049_decoy,GCR,Decoy,0,-7.9627,-9.25,-1.06,-10.700366093451054
Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C)ccc3F)c2)cc1,C27388002_decoy,GCR,Decoy,0,-10.6112,-4.08,-4.57,-4.832874478005378
O=C(NC(c1ccccc1)c1ccccc1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1,C59849548_decoy,GCR,Decoy,0,-10.1375,-4.25,-4.42,-4.895190645651497
O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(CC2CC2)C1,C60318899_decoy,GCR,Decoy,0,-10.4076,-3.94,-2.32,-4.7002647280001
Cc1ccc(-c2nc(CC(=O)NC[C@@](C)(O)c3ccc(Cl)cc3)c(C)o2)cc1,C62506352_decoy,GCR,Decoy,0,-8.84878,-6.43,-2.2,-5.049496292145712
CSc1ccc([C@@H]2C(C#N)=C(N)OC3=NN=C(c4ccc(CC(C)C)cc4)[C@@H]32)cc1,C00985835_decoy,GCR,Decoy,0,-10.3585,-2.07,-3.72,-3.994686346552402
O=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cccc2ccccc12,C66085054_decoy,GCR,Decoy,0,-9.4363,-7.06,-5.58,-6.1156645708584
O=C(c1ccc(F)cc1)c1sc(Nc2ccc(F)cc2)nc1-c1ccccc1,C04334711_decoy,GCR,Decoy,0,-11.5289,-5.12,-2.74,-5.486716611688589
O=C(Nc1cccnc1Sc1ccccc1)[C@H](c1ccccc1)C1CCCC1,C04336336_decoy,GCR,Decoy,0,-10.6986,-5.08,-3.15,-5.686717983148144
C=C1CC[C@@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)/C=C/[C@@H](C)C(C)C,C04492863_decoy,GCR,Decoy,0,-12.9364,-4.06,-0.64,-5.764273675879154
O=C(c1ccccc1)c1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1,C02184670_decoy,GCR,Decoy,0,-9.20044,-6.49,-2.38,-7.624558213956502
O=C(/C=C/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl,C02177686_decoy,GCR,Decoy,0,-8.30056,-3.64,-2.53,-3.784875268873364
CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Cl)c(Cl)c2)nc2ccccn12,C04754081_decoy,GCR,Decoy,0,-8.65898,-6.77,-4.94,-7.362387981371634
CC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,C05656675_decoy,GCR,Decoy,0,-10.0232,-8.64,-1.93,-9.955258539364207
CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1Br,C08564081_decoy,GCR,Decoy,0,-9.30851,-8.42,-1.95,-8.247268679035454
Cc1cccc(CSc2nc3scc(-c4ccc(C(C)C)cc4)c3c(=O)[nH]2)c1,C05238806_decoy,GCR,Decoy,0,-12.9347,-5.23,-1.54,-5.7585286297544025
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C09302333_decoy,GCR,Decoy,0,-12.2476,-9.95,-0.7,-21.55604050659948
CCc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)cc1,C10701101_decoy,GCR,Decoy,0,-8.00719,-3.97,-4.7,-3.686899597085465
CCn1c(-c2ccccc2)c(-c2csc(NCCC(C)C)n2)c2ccccc21,C02646944_decoy,GCR,Decoy,0,-10.956,-1.83,-2.56,-4.321112195973771
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C13542847_decoy,GCR,Decoy,0,-12.5681,-4.18,-0.6,-5.777933893835677
Fc1ccccc1Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3,C03304489_decoy,GCR,Decoy,0,-10.2305,-5.74,-5.32,-5.566982546672095
CCN(CC)c1ccc([C@H]2Nc3ccc(OCC(C)C)cc3[C@H]3C=CC[C@H]32)cc1,C14461972_decoy,GCR,Decoy,0,-11.2258,-2.36,-2.53,-4.278341801106702
CC(C)c1ccc([C@H]2Nc3c(OC[C@@H]4CCCO4)cccc3[C@H]3C=CC[C@@H]32)cc1,C14463397_decoy,GCR,Decoy,0,-11.166,-4.41,-2.91,-5.084723409127427
Clc1cccc([C@@H]2Nc3ccc(OCCOc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1Cl,C14477163_decoy,GCR,Decoy,0,-11.4171,-3.17,-3.97,-4.627958505113816
CCCCOc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21,C14477767_decoy,GCR,Decoy,0,-9.74825,-5.3,-0.95,-4.712096530366717
Cc1ccccc1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@H]2C=CC[C@H]21,C14478942_decoy,GCR,Decoy,0,-8.63287,-3.65,-2.76,-4.218085853722336
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2,C14546882_decoy,GCR,Decoy,0,-10.9956,-10.42,-1.86,-14.536862433807338
CN(C)c1ccc(C(Nc2cccc3ccccc23)c2ccc(N(C)C)cc2)cc1,C16887373_decoy,GCR,Decoy,0,-6.99091,-4.59,-3.49,-3.89317635087873
CC/N=C1\C=C/C(=C(\c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C,C18207694_decoy,GCR,Decoy,0,-10.8053,-2.62,-2.18,-4.18047880028745
c1ccc(CN[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)c2ccccc2)cc1,C19889243_decoy,GCR,Decoy,0,-9.90734,-8.04,-1.27,-10.865866051745686
CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1,C20607964_decoy,GCR,Decoy,0,-10.8642,-2.76,-4.91,-4.332059371491148
CCCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C20685047_decoy,GCR,Decoy,0,-13.048,-3.26,-3.14,-5.115676492482794
CCN(CC)c1ccc([C@H]2Nc3c(OCC(C)C)cccc3[C@@H]3C=CC[C@@H]23)cc1,C20697337_decoy,GCR,Decoy,0,-10.2625,1.69,-4.01,-3.034154528154272
Clc1cccc(Cl)c1[C@H]1Nc2c(OCCOc3ccccc3)cccc2[C@@H]2C=CC[C@@H]12,C20750349_decoy,GCR,Decoy,0,-10.3871,-4.75,-1.41,-5.640788931738486
C#CCN1CCC2=C(C1)c1c(O)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C,C26258962_decoy,GCR,Decoy,0,-10.7277,-2.11,-3.68,-4.736944331399207
C#CCN1CCC2=C(C1)c1c(O)cc([C@@H](C)[C@H](C)CCCCC)cc1OC2(C)C,C26258976_decoy,GCR,Decoy,0,-11.159,-2.73,-1.51,-4.925569289450681
Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)C(C)(C)C)cc1,C27020711_decoy,GCR,Decoy,0,-9.50166,-3.5,-4.93,-4.343865902409057
CC(C)c1ccc(/C=N\Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,C31854552_decoy,GCR,Decoy,0,-10.8352,-4.91,-0.71,-5.467740955015911
CCCCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1,C34935625_decoy,GCR,Decoy,0,-8.62005,-7.48,-1.3,-8.287989799589202
CCCOc1ccc(Br)cc1CNc1cc(Cl)cc(Cl)c1,C37199532_decoy,GCR,Decoy,0,-9.86429,-6.31,-0.77,-8.414879278167206
Fc1ccc(Nc2nc(SCc3ccc(Cl)cc3)nc3ccccc23)cc1,C02948871_decoy,GCR,Decoy,0,-10.1378,-6.66,-1.71,-8.074435402912389
C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@H]1CC[C@H]2[C@H](C)/C=C/[C@H](C)C(C)C,C36384929_decoy,GCR,Decoy,0,-12.1529,-3.63,-1.3,-5.217968713411791
CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C08681428_decoy,GCR,Decoy,0,-11.6262,-8.64,-1.27,-9.584809815820412
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,C08681430_decoy,GCR,Decoy,0,-11.3752,-4.04,-1.75,-4.954612612822819
CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1,C22528960_decoy,GCR,Decoy,0,-9.28391,-9.24,-1.64,-10.194324057448364
Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc3ccccc23)c2ccccc2)cc1,C38771630_decoy,GCR,Decoy,0,-8.97434,-3.77,-1.91,-4.278900813934806
CC(C)Cc1ccc([C@@H](C)CNC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1,C04996875_decoy,GCR,Decoy,0,-10.9143,-4.98,-4.03,-6.349265493843737
CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3CC[C@@]2(O)C1,C36371529_decoy,GCR,Decoy,0,-12.6674,-9.21,-3.02,-10.781104124227502
CCc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C)c(Br)c1,C40943972_decoy,GCR,Decoy,0,-9.97274,-8.16,-2.3,-9.004856774643402
CC(C)c1ccc(OCCCC(=O)NC2CCCCCC2)c(Br)c1,C40948503_decoy,GCR,Decoy,0,-9.77755,-8.38,-0.83,-15.399234918635775
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)/C=C/[C@H](C)C(C)C,C43505260_decoy,GCR,Decoy,0,-13.1169,-10.42,-1.64,-10.460847767614318
C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C,C09212316_decoy,GCR,Decoy,0,-11.6477,-4.72,-1.4,-5.62597259861471
CC1=C(/C=C/C2=CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O)CC1,C44021996_decoy,GCR,Decoy,0,-11.7208,-9.25,-0.69,-16.025223306595723
CC1=C(/C=C/C2=CCC[C@]3(C)[C@H]2CC[C@H]3[C@@H](C)/C=C/[C@@H](C)C(C)C)C[C@H](O)CC1,C44022000_decoy,GCR,Decoy,0,-11.3307,-7.25,-1.62,-8.30219053232258
CCCCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(C)cc4)csc32)cc1,C46076024_decoy,GCR,Decoy,0,-10.8296,-4.05,-1.84,-4.663935144433168
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)/C=C/[C@H](C)C(C)C,C34168948_decoy,GCR,Decoy,0,-12.721,-2.85,-1.46,-4.77066143198086
CCCCc1ccc(NC(=O)C2CCC(CCCC)CC2)c(Br)c1,C64999965_decoy,GCR,Decoy,0,-10.9976,-0.85,-0.88,-5.097940715341039
CCCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)c1,C02865375_decoy,GCR,Decoy,0,-12.2979,-9.55,-3.98,-10.904958486896438
COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1,C04090959_decoy,GCR,Decoy,0,-9.7193,-3.54,-3.4,-4.442864834036518
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1,C02985940_decoy,GCR,Decoy,0,-11.7,-2.96,-3.41,-4.520176876028249
CCOc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)cc1,C02836150_decoy,GCR,Decoy,0,-5.81191,-3.72,-3.68,-3.074155811123715
CCOC(=O)c1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@H](C)C2,C02195200_decoy,GCR,Decoy,0,-10.6406,-2.64,-2.43,-4.286678556212731
CCOc1ccccc1NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CC[C@@H](C(C)(C)C)C2,C02182407_decoy,GCR,Decoy,0,-10.4199,-3.67,-4.31,-5.078637355805197
O=C(COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1)NC1CCCCC1,C01001480_decoy,GCR,Decoy,0,-7.67656,-9.02,-2.1,-6.275694087870213
CCc1cccc(CC)c1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1,C01943898_decoy,GCR,Decoy,0,-11.025,-6.38,-4.05,-6.354178443504244
O=C(COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)Nc1ccc(Cl)c(Cl)c1,C01973418_decoy,GCR,Decoy,0,-13.1937,-7.38,-3.5,-8.180177469402036
Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3c(C(C)C)cccc3C(C)C)cc2)c1,C08799834_decoy,GCR,Decoy,0,-6.67331,-4.01,-3.63,-3.614665771561563
Cc1cc(Cl)ccc1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1,C08799975_decoy,GCR,Decoy,0,-11.7629,-3.93,-2.56,-5.476394682720709
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1,C08800529_decoy,GCR,Decoy,0,-9.93096,-4.25,-3.72,-4.59692524745838
O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)Nc1ccccc1F,C02188722_decoy,GCR,Decoy,0,-12.9484,-3.92,-2.87,-5.323094857111875
COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl,C06297390_decoy,GCR,Decoy,0,-11.6076,19.18,-3.45,3.2446720012720203
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3I)s2)c1C,C10211100_decoy,GCR,Decoy,0,-12.3368,-7.77,-4.1,-7.930476556941461
Cc1ccc(NC(=O)/C(=C/c2ccc(OC(C)C)cc2)NC(=O)c2ccc(Br)cc2)cc1,C12656129_decoy,GCR,Decoy,0,-6.68925,-3.7,-3.97,-3.5923445528458693
Cc1ccccc1N(C(=O)c1cc2sccc2[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1,C01361228_decoy,GCR,Decoy,0,-10.4678,-3.59,-2.48,-4.962341674060984
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1,C09064965_decoy,GCR,Decoy,0,-9.36774,3.53,-1.84,-2.3250039052136486
COC(=O)CCSc1nc(N)c2c3c(sc2n1)[C@H](c1ccccc1)S[C@@H](c1ccccc1)C3,C09542127_decoy,GCR,Decoy,0,-6.77417,-2.55,-3.17,-2.809065819120186
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(I)cc2C)cc1,C02750604_decoy,GCR,Decoy,0,-10.892,-7.43,-4.22,-7.616259690110713
Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)NCCC(C)C)cc1,C09095131_decoy,GCR,Decoy,0,-9.54635,-2.18,-4.21,-3.936959889443501
Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1,C14275364_decoy,GCR,Decoy,0,-12.7044,-6.08,-2.81,-7.916661008870282
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1,C14275377_decoy,GCR,Decoy,0,-12.3513,-6.03,-1.25,-6.783995781751758
CC(C)CCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br,C14645626_decoy,GCR,Decoy,0,-12.1552,-3.9,-3.71,-5.405423822551098
CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1,C14649735_decoy,GCR,Decoy,0,-9.74537,-3.18,-1.9,-4.421616584148169
CCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2,C14650073_decoy,GCR,Decoy,0,-11.5644,-7.93,-3.02,-12.746650267370676
CCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2,C14650244_decoy,GCR,Decoy,0,-11.4881,-7.56,-3.0,-11.586121163140913
CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1,C14666902_decoy,GCR,Decoy,0,-10.2544,-8.21,-1.96,-12.152606479621726
CC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc4ccccc4c3)c2C#N)cc1,C19880079_decoy,GCR,Decoy,0,-10.8537,-4.88,-4.57,-5.050287096530022
C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)NC(c1ccccc1)c1ccccc1,C23645933_decoy,GCR,Decoy,0,-10.339,-9.6,-1.86,-10.814918609758593
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NC(c2ccccc2)c2ccccc2)cc1,C27495919_decoy,GCR,Decoy,0,-6.37891,-4.07,-2.8,-3.806617700039933
COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2ccc(C)cc2C)cc1,C28308432_decoy,GCR,Decoy,0,-6.09041,-3.53,-2.82,-3.0687036342799967
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1,C30829067_decoy,GCR,Decoy,0,-12.8385,-4.13,-2.83,-5.190443846585935
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C(\C=C\c1ccccc1)c1ccccc1,C33445925_decoy,GCR,Decoy,0,-10.4445,-5.64,-1.89,-6.084180467456165
C=CCNC(=O)/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(Cl)cc1,C33633946_decoy,GCR,Decoy,0,-9.25538,-3.89,-4.99,-4.517144501490092
O=C(NC1CCCCC1)[C@@H](c1cccc(O)c1)N(C(=O)C1CCCCC1)c1cccc(Cl)c1,C36480577_decoy,GCR,Decoy,0,-10.9558,-5.9,-2.32,-4.922747605018798
O=C(NC1CCCCC1)[C@@H](c1ccc(O)cc1)N(C(=O)c1ccccc1)c1cccc(Cl)c1,C36486958_decoy,GCR,Decoy,0,-8.7392,-3.53,-4.58,-4.110650103965885
CN(C(=O)/C(=C/c1ccccc1)c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1O,C36523207_decoy,GCR,Decoy,0,-9.64311,-1.93,-4.09,-4.061709066018756
O=C(NC1CCCCC1)[C@@H](c1cccc(O)c1)N(C(=O)C1CCCCC1)c1ccccc1Cl,C36540796_decoy,GCR,Decoy,0,-10.6614,-3.65,-3.81,-4.922089104140972
O=C(NC1CCCCC1)[C@H](c1cccc(O)c1)N(C(=O)c1ccccc1)c1ccccc1Cl,C36546489_decoy,GCR,Decoy,0,-10.4346,-4.59,-4.43,-5.215378546031454
O=C(NC1CCCCC1)[C@@H](c1cccc(O)c1)N(C(=O)c1ccccc1)c1ccccc1Cl,C36546490_decoy,GCR,Decoy,0,-10.3873,-3.67,-4.71,-4.667997049720635
CCCN(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NC1CCCCC1)c1cc2ccccc2c2ccccc12,C36570677_decoy,GCR,Decoy,0,-10.8675,-4.35,-4.14,-5.282589429481719
CCCCNC(=O)[C@H](c1cc2ccccc2c2ccccc12)N(C(=O)c1ccc(O)cc1)C(C)(C)C,C36586364_decoy,GCR,Decoy,0,-7.79212,-4.55,-3.14,-4.517244692289844
Cc1cc(C)nc(N[C@@H](c2cccc(F)c2)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)n1,C38548097_decoy,GCR,Decoy,0,-12.7125,-2.72,-2.7,-5.113216379458267
Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2C)cc1,C38755316_decoy,GCR,Decoy,0,-5.57673,-6.51,-3.72,-4.1706187911619095
C[C@@H](Sc1nnc(Nc2ccc(SC(F)F)cc2)s1)C(=O)Nc1cc(F)ccc1F,C45493231_decoy,GCR,Decoy,0,-12.1201,-7.53,-3.63,-8.48336205349283
CC(C)(C)NC(=O)[C@@H](C(c1ccccc1)c1ccccc1)N(C(=O)c1ccc(O)cc1)c1ccccc1,C36609792_decoy,GCR,Decoy,0,-5.90102,-3.03,-2.2,-2.7705043584184543
CCc1ccccc1NC(=S)N/N=C1\C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21,C03041229_decoy,GCR,Decoy,0,-10.49,-7.86,-2.88,-7.968015111428537
C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)n1)C(=O)Nc1cc(Cl)ccc1O,C58964855_decoy,GCR,Decoy,0,-11.1037,-9.7,-2.64,-11.569092256891048
CC[C@H](C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3Cl)nc2c1,C59337360_decoy,GCR,Decoy,0,-12.487,-4.03,-4.9,-5.919368002794736
O=C(Cc1csc(-c2ccccc2)n1)NCCC(c1ccccc1)c1ccccc1,C02650666_decoy,GCR,Decoy,0,-10.0436,-9.66,-2.05,-10.005779325072533
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(OCC)cc2)cc1,C08402351_decoy,GCR,Decoy,0,-11.122,-2.97,-3.44,-4.795786560192759
C[C@H](Nc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2,C08427451_decoy,GCR,Decoy,0,-11.9246,-4.52,-3.53,-5.060534193738203
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1C,C02111159_decoy,GCR,Decoy,0,-10.9639,-3.33,-2.1,-4.386114829416315
Cc1cc(N/C=C/C(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)ccc1Br,C08781777_decoy,GCR,Decoy,0,-11.0685,-7.63,-1.32,-7.648887623194576
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccc(Br)cc1,C03089264_decoy,GCR,Decoy,0,-8.36045,-8.25,-4.13,-10.661901938348052
O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1cccc(Br)c1,C08854401_decoy,GCR,Decoy,0,-12.4452,-3.9,-1.9,-5.460542411993939
O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc(Br)cc1,C08854403_decoy,GCR,Decoy,0,-9.33002,-3.53,-1.8,-4.561562958200923
CCc1ccccc1NC(=O)Cc1csc(SCc2ccc(Br)cc2)n1,C08854576_decoy,GCR,Decoy,0,-9.63079,-9.07,-5.74,-8.570534509998426
O=C(Cc1csc(SCc2ccc(Br)cc2)n1)Nc1cccc(Cl)c1,C08854582_decoy,GCR,Decoy,0,-11.7908,-3.49,-1.56,-4.942969450689248
N#Cc1c(SCc2ccc(Cl)cc2Cl)nsc1/C=C/Nc1ccc(Cl)cc1,C03015870_decoy,GCR,Decoy,0,-12.1621,-3.43,-4.38,-5.006153570462422
O=C(NCCSCc1c(Cl)cccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1,C09014166_decoy,GCR,Decoy,0,-11.4668,-3.14,-2.28,-4.950441496687813
O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccccc1Br,C09116111_decoy,GCR,Decoy,0,-10.4315,-10.84,-4.81,-10.3343816331361
O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1,C09474996_decoy,GCR,Decoy,0,-13.2031,-8.08,-3.54,-8.99135054116124
O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1SCc1ccc(Cl)c(Cl)c1,C03104167_decoy,GCR,Decoy,0,-11.4853,-3.62,-0.99,-4.817217993334676
C=CCNC(=S)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2,C02359511_decoy,GCR,Decoy,0,-11.4913,-3.61,-5.43,-4.991883119068922
O=C(Cc1c(F)cccc1Cl)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1,C14185220_decoy,GCR,Decoy,0,-8.4031,-3.88,-3.08,-4.530247664810513
Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1,C02649943_decoy,GCR,Decoy,0,-6.58917,-3.04,-1.56,-2.8644321671360906
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549471_decoy,GCR,Decoy,0,-13.6801,11.23,-3.34,-1.0488489289118812
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1c(Cl)cccc1Cl,C03418993_decoy,GCR,Decoy,0,-10.5242,-6.26,-2.7,-8.202991704391358
C=C(C)Cn1cc(C[C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)c2cc(Br)ccc21,C16888630_decoy,GCR,Decoy,0,-10.0386,-8.3,-2.87,-14.33579059212592
CCOc1ccc([C@H](C)Nc2c(Br)cc(Br)cc2Br)cc1,C20504407_decoy,GCR,Decoy,0,-10.2722,-7.01,-2.25,-8.178869484168466
COc1ccc(CCNCc2ccc(-c3ccc(Br)cc3Br)o2)cc1,C13730716_decoy,GCR,Decoy,0,-10.6203,-4.24,-3.72,-4.990638293605149
CCn1c2ccccc2c2cc([C@H]3Nc4c(OCC(C)C)cccc4[C@@H]4C=CC[C@@H]34)ccc21,C20685164_decoy,GCR,Decoy,0,-7.31466,-4.22,-1.58,-3.932365887378833
O=C(CSc1ccccc1)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1,C21002346_decoy,GCR,Decoy,0,-10.6113,-7.2,-2.9,-9.01857287317491
O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1SCc1ccsc1,C24351727_decoy,GCR,Decoy,0,-12.2099,-7.52,-2.05,-12.553976259121049
O=C(N[C@H](c1ccccc1F)[C@H](/N=C/c1ccccc1F)c1ccccc1F)c1ccccc1F,C25694368_decoy,GCR,Decoy,0,-6.92572,-5.97,-4.05,-4.432022363220729
O=C(N[C@H](c1ccccc1F)[C@@H](/N=C/c1ccccc1F)c1ccccc1F)c1ccccc1F,C02172332_decoy,GCR,Decoy,0,-6.18686,-2.9,-4.39,-3.061384867675552
C=CCN1C[C@H](C[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)c2cc(Br)ccc21,C27691082_decoy,GCR,Decoy,0,-11.7164,-7.86,-0.67,-12.452311407456152
CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12,C27788441_decoy,GCR,Decoy,0,-5.93112,-3.28,-4.47,-2.927757943397773
Cc1ccc([C@H](NC(=O)COc2ccccc2I)c2ccccc2)cc1,C30953881_decoy,GCR,Decoy,0,-9.13205,-8.15,-3.31,-9.409007372681584
CCOc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1C,C35018456_decoy,GCR,Decoy,0,-10.6798,-6.42,-0.74,-8.593747920839718
Cn1cc([C@H](CC(=O)NC(c2ccccc2)c2ccccc2)c2ccsc2)c2ccccc21,C35768707_decoy,GCR,Decoy,0,-10.7821,-4.02,-1.44,-4.991172818150656
CC[C@H](Nc1cc(Br)ccc1N(C)C)c1ccc(Br)cc1,C37139366_decoy,GCR,Decoy,0,-10.169,-7.22,-2.03,-8.719055603363778
CCOc1c(Br)cc(Br)cc1CNc1cc(Br)ccc1C,C37305595_decoy,GCR,Decoy,0,-10.5722,-7.61,-2.4,-9.689804240460456
CSc1ccc(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(F)cc2)cc1,C08603027_decoy,GCR,Decoy,0,-12.2906,-5.74,-2.33,-6.725497985334073
CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccn1,C40576996_decoy,GCR,Decoy,0,-11.1804,-3.43,-2.27,-4.629867670885966
C[C@@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)Cc1cccc2ccccc12,C44852369_decoy,GCR,Decoy,0,-6.85104,-7.9,-3.09,-4.844033806677246
S=C(Nc1ccc(Br)cc1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl,C35240619_decoy,GCR,Decoy,0,-11.2749,-8.75,-2.15,-10.008006487627684
Cc1ccc(NC(=S)N(Cc2ccco2)Cc2c(Cl)cccc2Cl)c(C)c1,C06572621_decoy,GCR,Decoy,0,-10.2477,-8.85,-2.28,-12.652561264892109
Cc1ccc(-c2csc(SCC(=O)Nc3ccc(I)cc3C)n2)cc1,C59213404_decoy,GCR,Decoy,0,-11.981,-8.19,-3.41,-9.606220505864584
O=C(CCSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(Br)cc1,C34851630_decoy,GCR,Decoy,0,-12.6076,-4.2,-4.09,-5.871735432920432
O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1ccccc1Br,C59267896_decoy,GCR,Decoy,0,-10.4102,-6.68,-5.36,-6.931178441592396
Cc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C,C22532487_decoy,GCR,Decoy,0,-10.8199,-3.13,-3.15,-5.677889779995437
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,C59400844_decoy,GCR,Decoy,0,-9.43905,-5.97,-3.59,-6.907334234228586
Cc1cc(C)c(OCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1,C59516474_decoy,GCR,Decoy,0,-8.59942,-8.74,-1.21,-8.823678512154137
Brc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1,C59585067_decoy,GCR,Decoy,0,-11.4921,-8.66,-2.37,-13.120790580667254
O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(Br)cc1F,C64984900_decoy,GCR,Decoy,0,-9.95034,-3.96,-0.48,-4.528012860074752
CCn1cc(CN(C(=S)Nc2cc(Cl)cc(Cl)c2)C2CCCCCC2)c2ccccc21,C20212671_decoy,GCR,Decoy,0,-10.7458,-8.7,-2.86,-9.477771725417696
N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1,C11853123_decoy,GCR,Decoy,0,-12.695,14.11,-3.33,0.6118318560286873
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2cccc(Cl)c2)cc1,C02543263_decoy,GCR,Decoy,0,-9.27744,-5.18,-1.26,-5.39036227725992
C[C@H](OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2,C02726026_decoy,GCR,Decoy,0,-10.033,-9.6,-2.77,-9.282942268816274
COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br,C08896372_decoy,GCR,Decoy,0,-13.8455,-2.54,-3.66,-5.409675756935836
CCOC(=O)C1CCC(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(C)cc2)CC1,C09224519_decoy,GCR,Decoy,0,-5.9802,-4.39,-2.48,-3.368885990355997
CC[C@H](Sc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1)C(=O)Nc1ccc(C)cc1C,C10000802_decoy,GCR,Decoy,0,-12.2506,8.09,-1.56,-1.4891528143544956
Cc1ccc(N/C(SCC(=O)c2c(C)[nH]c3ccccc23)=C(/C#N)c2nc3ccccc3s2)c(C)c1,C03271093_decoy,GCR,Decoy,0,-9.94927,-3.41,-3.62,-4.500315000043853
O=C(CSc1ccccc1C(=O)NN(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2,C13097010_decoy,GCR,Decoy,0,-7.44772,-4.22,-5.25,-3.703566652428906
CC[C@@H](C)Oc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1,C09270492_decoy,GCR,Decoy,0,-11.3983,-8.88,-3.1,-9.902843206986775
CCCCCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1Br,C14640705_decoy,GCR,Decoy,0,-11.7337,-8.41,-1.19,-12.063222960706357
CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2,C14648493_decoy,GCR,Decoy,0,-12.03,-8.4,-4.12,-12.371559170391189
CC(C)COc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1,C14667298_decoy,GCR,Decoy,0,-11.1462,-5.03,-3.8,-7.2634718579064765
CC(C)CCOc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)cc1,C14668574_decoy,GCR,Decoy,0,-10.7159,-3.46,-3.11,-5.081029726866533
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1,C12411745_decoy,GCR,Decoy,0,-7.47689,5.29,-13.56,-0.7605219455184312
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3)nc2c1,C20314171_decoy,GCR,Decoy,0,-12.034,6.88,-1.9,-2.3069089783314234
CCOC(=O)C1CCC(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)CC1,C20938829_decoy,GCR,Decoy,0,-6.78278,-4.26,-3.27,-3.711196737321255
CCOc1ccc(NC(=O)Nc2ccc(-c3nc(-c4cccc(Br)c4)co3)cc2)cc1,C21363513_decoy,GCR,Decoy,0,-11.706,-3.54,-3.76,-5.155615003762299
CCCCOc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)Nc2ccc(C)cc2)cc1,C27521177_decoy,GCR,Decoy,0,-6.36451,-4.37,-3.69,-3.4887474224058583
CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)/C=C/c4ccccc4)c3)nc2c1,C01837870_decoy,GCR,Decoy,0,-11.0586,14.19,-3.51,1.3131769000129612
CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)/C=C/c4ccccc4)c3)nc2c1,C01837872_decoy,GCR,Decoy,0,-9.39185,-3.39,-4.52,-4.089261933153577
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2nc(SCc3cc(C)ccc3C)nc2N1,C33085554_decoy,GCR,Decoy,0,-10.3783,-2.45,-2.45,-6.005329529437756
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2nc(SCc3cc(C)ccc3C)nc2N1,C33085570_decoy,GCR,Decoy,0,-8.93098,-4.78,-2.27,-4.769669526841279
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)NC2CCCCC2)cc1,C19833401_decoy,GCR,Decoy,0,-10.115,-7.64,-5.23,-6.836531294687705
O=C(NC1CCCCC1)[C@@H](c1ccccc1O)N(C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1,C36483859_decoy,GCR,Decoy,0,-6.23012,-4.33,-3.88,-3.599722603906748
CCCCCCN(C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H](C(=O)NC(C)(C)C)c1ccccc1O,C36509380_decoy,GCR,Decoy,0,-5.32814,-3.31,-4.77,-3.303825319639276
CCCCNC(=O)[C@@H](c1ccccc1O)N(C(=O)CCC1CCCCC1)c1ccccc1Cl,C36541824_decoy,GCR,Decoy,0,-9.00639,-8.41,-2.46,-13.645641380079091
CCCCC/C=C/C(=O)N(c1ccccc1Cl)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1,C36542002_decoy,GCR,Decoy,0,-11.0441,-3.51,-2.97,-4.355362545802344
CC(C)=CC(=O)N(c1ccccc1Cl)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1cccc(O)c1,C36546738_decoy,GCR,Decoy,0,-9.78622,-3.67,-5.9,-3.9282633822124144
CC(C)=CC(=O)N(c1ccccc1Cl)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)cc1,C36546747_decoy,GCR,Decoy,0,-9.59029,-5.14,-2.87,-7.82070049146437
CC(C)=CC(=O)N(c1ccccc1Cl)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)cc1,C36546748_decoy,GCR,Decoy,0,-9.08386,-3.31,-3.26,-4.410981532634469
CCCCNC(=O)[C@H](c1ccccc1O)N(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Cl,C36547560_decoy,GCR,Decoy,0,-5.54906,-3.07,-5.31,-3.1300667714397536
CC[NH+](CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1,C14461725_decoy,GCR,Decoy,0,-11.4998,-4.11,-1.93,-5.423153228082318
CCCN(C(=O)CCCc1cc2cccc3ccc4cccc1c4c32)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1,C36561068_decoy,GCR,Decoy,0,-5.57735,-4.51,-3.54,-3.5211856702410835
CCCCNC(=O)[C@H](c1ccccc1O)N(C(=O)/C(=C\c1ccccc1)c1ccccc1)C(C)(C)C,C36579199_decoy,GCR,Decoy,0,-3.31084,-2.89,-3.96,-2.3019939413041683
CC[C@H](C(=O)N([C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1O)C(C)(C)C)c1ccccc1,C36583079_decoy,GCR,Decoy,0,-3.76654,-2.99,-2.77,-2.47534908748506
CCOc1ccc(NC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(Cl)cc23)cc1,C39867460_decoy,GCR,Decoy,0,-10.6048,-4.4,-3.71,-5.313565644934879
CCOC(=O)c1c(NC(=S)Nc2ccc3c(c2)c2ccccc2n3CC)sc2c1CCCCCC2,C39968893_decoy,GCR,Decoy,0,-7.6,-5.66,,99.0
CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3c(-c4ccccc4)[nH]c4ccccc34)NC2=O)cc1,C40476131_decoy,GCR,Decoy,0,-9.77199,-4.09,-3.51,-4.602885553126896
CCCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C(F)(F)F)C1=C(CC(C)(C)CC1=O)N2,C40476308_decoy,GCR,Decoy,0,-7.08713,-3.36,-2.05,-3.640097190071593
CCSc1nc2n(n1)[C@H](c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,C41023149_decoy,GCR,Decoy,0,-7.26042,-2.26,-3.05,-2.816104237352477
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@@H](C(=O)NCCC5=CCCCC5)C4)nc23)cc1,C49421269_decoy,GCR,Decoy,0,-6.78078,-6.98,-3.0,-4.745565366525229
Cc1ccccc1-c1csc2c(=O)[nH]c(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)nc12,C49421431_decoy,GCR,Decoy,0,-6.55857,-4.37,-3.26,-3.55850121917452
O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCCC[C@H]1NC(=O)CC(c1ccccc1)c1ccccc1,C15910954_decoy,GCR,Decoy,0,-6.02701,-5.14,-3.54,-3.63128715286432
C=C(NNC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(-c2ccccc2)cc1,C01901991_decoy,GCR,Decoy,0,-10.8172,-6.68,-3.5,-7.333580495731775
CCCCNC(=O)[C@@H](c1ccccc1O)N(C(=O)/C(=C\c1ccccc1)c1ccccc1)c1ccccc1,C36604096_decoy,GCR,Decoy,0,-4.943,-2.26,-3.16,-2.613941490863952
C=CCc1cccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O,C01808771_decoy,GCR,Decoy,0,-11.0729,-4.3,-2.91,-6.559833211837242
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(Cl)c3N3CCCC3)o2)cc1Cl,C22821936_decoy,GCR,Decoy,0,-12.1809,-6.2,-2.09,-6.937709552865901
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cccc(OC4CSC4)c2)N3)c1,C59267064_decoy,GCR,Decoy,0,-10.7908,-10.46,-1.38,-18.3292971100004
COc1ccc(NC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1,C59303167_decoy,GCR,Decoy,0,-11.266,-5.67,-5.05,-5.966419834716371
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1,C22844442_decoy,GCR,Decoy,0,-13.4447,-3.31,-1.92,-5.791812239364672
O=C(CCCNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1,C59507716_decoy,GCR,Decoy,0,-7.11732,-8.55,-5.49,-6.171102012391369
S=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)Nc1ccccc1,C04231428_decoy,GCR,Decoy,0,-10.7289,-7.23,-4.61,-10.422444605825754
C=C1[C@H](C(=O)Nc2ccc(SC(F)F)cc2)[C@H]1C(=O)Nc1ccc(SC(F)F)cc1,C01462535_decoy,GCR,Decoy,0,-9.94948,9.1,-3.88,-0.4149084047050311
O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F,C03023827_decoy,GCR,Decoy,0,-10.7426,-7.59,-1.83,-7.703722940707546
Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1,C08852936_decoy,GCR,Decoy,0,-11.1152,-9.22,-2.89,-8.839575528822364
CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N/N=C/c1ccccc1C(F)(F)F,C09090354_decoy,GCR,Decoy,0,-9.21266,-5.4,-3.08,-5.087732305642571
C[C@H](Sc1nnc(-c2ccccc2F)[nH]1)C(=O)NC(c1ccccc1)c1ccccc1,C09837112_decoy,GCR,Decoy,0,-9.60402,-7.43,-2.29,-9.202439083526569
NC(=O)[C@@H](Sc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1Cl)c1ccccc1,C10269493_decoy,GCR,Decoy,0,-11.0424,-8.2,-2.75,-10.765783381305011
Cc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1,C12489336_decoy,GCR,Decoy,0,-10.4073,-7.88,-2.52,-6.949044552409336
C[C@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1,C03268930_decoy,GCR,Decoy,0,-8.7662,-3.86,-3.57,-4.528695779784512
CC(C)(C)C(=O)NCCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1,C12765289_decoy,GCR,Decoy,0,-9.48578,-6.57,-3.4,-8.209836467851487
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)nc2c1,C09064980_decoy,GCR,Decoy,0,-11.2742,-4.13,-2.78,-8.520608724602964
O=C(N/N=C/C=C/c1ccccc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1,C13548848_decoy,GCR,Decoy,0,-11.3767,-1.28,-3.65,-3.907844195279101
CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C)c(I)c2)cc1,C13983339_decoy,GCR,Decoy,0,-10.3717,-6.53,-1.64,-7.760206062464973
Cc1ccc(C(=O)NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1Br,C14037417_decoy,GCR,Decoy,0,-10.988,-5.49,-1.19,-6.214227090386238
CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Br,C14041381_decoy,GCR,Decoy,0,-12.25,-8.83,-0.76,-16.207829621180714
CCCC(=O)Nc1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2,C14462227_decoy,GCR,Decoy,0,-11.4443,-1.38,-2.29,-4.439540448016187
CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1Br,C14640950_decoy,GCR,Decoy,0,-11.4306,-5.26,-1.36,-6.548515632549525
Cc1cccc(NC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c1,C14645749_decoy,GCR,Decoy,0,-11.5173,-4.92,-2.91,-6.230669739931184
CCCCOc1ccc(Br)cc1C(=O)NC(=S)N[C@H](C)c1ccccc1,C14650095_decoy,GCR,Decoy,0,-9.07931,-7.06,-2.48,-8.545001307350361
CCC(=O)c1ccc(N[C@H](CC(=O)c2ccc(Br)cc2)c2ccc(O)cc2)cc1,C15303727_decoy,GCR,Decoy,0,-11.7712,-5.48,-3.21,-6.379479379583781
O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl,C16449812_decoy,GCR,Decoy,0,-10.8666,-8.16,-1.7,-9.14476389619066
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1,C16493058_decoy,GCR,Decoy,0,-9.77213,-4.53,-2.01,-5.841943547187062
CC(C)SCCSc1nc(O)c(CCSCc2cccc3ccccc23)c(=O)[nH]1,C16855214_decoy,GCR,Decoy,0,-11.5913,-5.61,-1.4,-8.511274214984931
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NCCC1=CCCCC1,C17096135_decoy,GCR,Decoy,0,-11.2192,-6.46,-1.95,-7.226894221412073
C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)C(=O)Nc1ccccc1-c1ccccc1,C17276850_decoy,GCR,Decoy,0,-9.96522,-4.73,-1.92,-5.137556020518238
C[C@@H](NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2,C21595556_decoy,GCR,Decoy,0,-11.5471,-7.03,-2.9,-7.364537243490697
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCc1ccc(Cl)cc1,C32523021_decoy,GCR,Decoy,0,-9.67313,-9.66,-2.92,-9.826502502975623
CCCCCc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2CCCc3ccccc32)[C@@H](C)CC)cc1,C34969809_decoy,GCR,Decoy,0,-10.1077,-4.78,-1.91,-6.476706042522099
CCCCCc1ccc(C(=O)N[C@H](C(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)CC)cc1,C34969811_decoy,GCR,Decoy,0,-10.3171,-3.2,-4.07,-4.7111300976604
CN(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1c(Cl)cccc1Cl,C36530812_decoy,GCR,Decoy,0,-7.44342,-3.85,-2.29,-4.000285201723137
CC[C@@H](NC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1)c1ccccc1,C36564059_decoy,GCR,Decoy,0,-11.386,-9.12,-1.24,-9.4282461027662
C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1,C02298950_decoy,GCR,Decoy,0,-11.0062,-3.21,-1.51,-4.912814665239669
CCc1cccc(C)c1NC(=S)N/N=C1/C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21,C03041191_decoy,GCR,Decoy,0,-11.9098,-4.1,-4.72,-5.217784594353046
O=C(/C=C/c1ccc(Cl)cc1)NCCCCCCNC(=O)/C=C/c1ccc(Cl)cc1,C13968535_decoy,GCR,Decoy,0,-11.5616,-0.95,-3.43,-5.6386258726045
O=CC[C@@H](NC=O)c1ccc(Cc2ccccc2)c(Cc2ccccc2)c1-c1ccccc1O,C39495502_decoy,GCR,Decoy,0,-10.7139,-8.36,-4.28,-13.914095388921506
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc2)c1,C19167279_decoy,GCR,Decoy,0,-8.55877,-3.83,-4.5,-4.151588166249661
COc1ccc(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1,C22568880_decoy,GCR,Decoy,0,-12.5311,-6.11,-1.99,-7.6481159554660225
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NCc1cc(Br)cs1,C58167421_decoy,GCR,Decoy,0,-10.5218,-9.1,-1.37,-13.92342739808487
CC[NH+](CC)c1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccc(C)c(Cl)c2)cc1,C59068149_decoy,GCR,Decoy,0,-11.5629,-8.22,-3.45,-10.419341204613524
CC[NH+](CC)c1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2ccc(Cl)cc2Cl)cc1,C59188278_decoy,GCR,Decoy,0,-10.7493,-8.61,-3.67,-9.607137875681168
CC(C)CCOc1ccc(C(=O)NC(=S)N[C@H](C)c2ccccc2)cc1Br,C14645839_decoy,GCR,Decoy,0,-10.4662,-7.26,-4.09,-8.26638502775209
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(Cl)c1Cl,C59505983_decoy,GCR,Decoy,0,-11.305,-9.12,-1.74,-11.775673585846016
O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)NC(c1ccccc1)c1ccccc1,C59778338_decoy,GCR,Decoy,0,-9.65095,-9.02,-1.74,-8.04205737304376
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NC(c1ccccc1)c1ccccc1,C59795374_decoy,GCR,Decoy,0,-9.76614,-8.9,-3.23,-8.08511899625289
Cc1ccc(CCC(=O)NCC(=O)N[C@H](C)CCc2ccc(Br)cc2)cc1,C60324258_decoy,GCR,Decoy,0,-9.49119,-6.67,-2.22,-9.022944122594232
O=C(/N=C(/[N-]CCC1=c2ccccc2=[NH+]C1)Nc1ccc(F)cc1)c1cccc(Br)c1,C63588788_decoy,GCR,Decoy,0,-9.00233,-4.25,-1.0,-4.722931756835842
O=C(/N=C(/[N-]CCC1=c2ccccc2=[NH+]C1)Nc1cccc(Br)c1)c1ccccc1,C63589493_decoy,GCR,Decoy,0,-10.4895,-3.96,-3.51,-5.236347211975239
Cc1cc2c(cc1C)N(CC(=O)N[C@H](C)CCc1ccccc1)C(=O)C=C(c1cccs1)N2,C64869046_decoy,GCR,Decoy,0,-12.0917,-3.44,-3.68,-5.200206036901003
C=Cc1ccc(Cn2c(C(=O)[O-])c(C[NH2+]CCc3ccccc3C)c3ccc(C)cc32)cc1,C09275022_decoy,GCR,Decoy,0,-8.92437,-5.88,-2.77,-5.314760547272746
Cc1ccc(NC(=S)NC(=O)c2ccc(OCCC(C)C)cc2)c(Br)c1,C66201980_decoy,GCR,Decoy,0,-10.5148,-8.36,-3.06,-11.349961688080231
Fc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1,C02506412_decoy,GCR,Decoy,0,-9.73794,-10.52,-4.09,-10.550598374871877
C=CCc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12,C03079819_decoy,GCR,Decoy,0,-9.92874,-7.23,-2.49,-6.730078731182533
CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2c1=O,C03631158_decoy,GCR,Decoy,0,-10.3709,24.88,-2.95,7.144496566914983
Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1,C04746736_decoy,GCR,Decoy,0,-10.2326,-3.54,-0.82,-4.042853548623431
COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1,C01068535_decoy,GCR,Decoy,0,-9.7865,-3.72,-2.4,-4.558241798144032
CC[C@@H](C)c1ccc(-n2c(S[C@@H](C)C(N)=O)nc3cc(Cl)ccc3c2=O)cc1,C03552617_decoy,GCR,Decoy,0,-10.9424,-1.73,-3.24,-5.924483915907518
C=C(NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(C#N)cc1,C03270547_decoy,GCR,Decoy,0,-11.1745,-10.55,-3.66,-9.02158617098505
CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1,C02884756_decoy,GCR,Decoy,0,-8.87127,-8.26,-3.6,-9.76677908658292
CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1,C02881064_decoy,GCR,Decoy,0,-10.0194,-7.21,-4.28,-9.037792133668097
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(C)oc3C)c2C(=O)NC2CC2)C1,C06396958_decoy,GCR,Decoy,0,-9.72651,-2.85,-3.4,-4.181013813924983
COCCNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2,C02843356_decoy,GCR,Decoy,0,-11.5092,-3.12,-2.22,-5.258061121629876
CCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1,C06636336_decoy,GCR,Decoy,0,-11.6318,-5.2,-4.8,-6.432998232509893
CCOc1ccc(/C(C)=N/NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1,C00717454_decoy,GCR,Decoy,0,-9.30305,-8.79,-2.62,-11.876476746161408
COc1ccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCC3)C(Cl)(Cl)Cl)cc1,C00822209_decoy,GCR,Decoy,0,-11.8848,-6.07,-4.98,-8.310200831732635
COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC3)cc1,C08445638_decoy,GCR,Decoy,0,-10.5418,-2.95,-4.09,-4.409923604511887
O=C(CCOc1cccc(Br)c1)N/N=C/c1c(O)ccc2ccccc12,C01427491_decoy,GCR,Decoy,0,-11.1814,-1.07,-4.0,-5.426751496984803
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccco4)cc3)sc2c1,C01181327_decoy,GCR,Decoy,0,-11.989,-3.53,-4.99,-4.960124200968235
COC(=O)c1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)sc2c1CCCC2,C10452265_decoy,GCR,Decoy,0,-11.366,-6.81,-0.88,-9.523525205862285
O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1,C02887354_decoy,GCR,Decoy,0,-10.9242,-5.16,-2.52,-6.250123739446567
O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[C@H](c1ccc(F)cc1)c1cccs1,C09731306_decoy,GCR,Decoy,0,-11.8254,-9.04,-1.84,-9.544248538456408
C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1,C13685399_decoy,GCR,Decoy,0,-9.70473,-8.43,-3.06,-7.032644928636643
O=C(CCCCl)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1,C02231283_decoy,GCR,Decoy,0,-11.9071,-8.91,-3.51,-9.437227668361228
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1O,C01434481_decoy,GCR,Decoy,0,-10.0935,-6.48,-4.69,-6.529646485519403
O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)NCCC1=CCCCC1,C13945799_decoy,GCR,Decoy,0,-9.18058,-3.46,-3.58,-4.162106533387858
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1,C13981016_decoy,GCR,Decoy,0,-10.1722,-6.03,-4.41,-5.576280819361804
Cc1ccc(C(C)C)c(OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1,C14387724_decoy,GCR,Decoy,0,-10.6098,-7.91,-3.19,-7.808031134827148
Cc1ccc(C(=O)NNC(=O)c2cc(Br)ccc2OCCC(C)C)cc1,C14650677_decoy,GCR,Decoy,0,-8.41109,-6.85,-2.16,-7.309724263879181
CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(C)cc2)c(Br)c1,C14832215_decoy,GCR,Decoy,0,-9.54329,-9.62,-1.97,-9.181198579646717
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2cccs2)c1,C17095490_decoy,GCR,Decoy,0,-11.0573,-7.05,-2.91,-6.269794354956614
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1)N2,C20679803_decoy,GCR,Decoy,0,-10.8945,-4.11,-1.49,-5.30931306512168
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1ccc(C(F)(F)F)cc1,C21605845_decoy,GCR,Decoy,0,-8.77078,-6.03,-5.04,-5.86544521978601
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(C)c(I)c2)c1C,C22016826_decoy,GCR,Decoy,0,-9.8683,-7.79,-5.27,-8.483308124311668
C[C@H](NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1Cl,C22514201_decoy,GCR,Decoy,0,-11.2342,-6.38,-2.19,-7.701407373001281
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1,C24659192_decoy,GCR,Decoy,0,-10.3727,-8.78,-1.49,-8.867263061208055
Cn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2,C24952913_decoy,GCR,Decoy,0,-12.8589,-3.11,,99.0
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1cccnc1Cl,C32695966_decoy,GCR,Decoy,0,-10.7107,-9.12,-4.24,-11.907916158654286
Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c(C)c1,C33115553_decoy,GCR,Decoy,0,-11.107,-4.77,-1.5,-5.786532015956329
CCOC(=O)c1sc2sc(C(=O)OCC)c(-c3ccc(Cl)cc3)c2c1N,C01037818_decoy,GCR,Decoy,0,-11.0895,-3.64,-1.37,-5.068159852713829
Cc1ccc(NC(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1C,C38563308_decoy,GCR,Decoy,0,-11.5559,-5.16,-4.99,-6.270936043081388
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1ccccc1C(F)(F)F,C38632061_decoy,GCR,Decoy,0,-8.88745,-4.34,-1.84,-4.5430224609981495
CN(C)c1ccc([C@H](CNC(=O)Nc2c(F)cccc2F)N2CCc3ccccc32)cc1,C38666759_decoy,GCR,Decoy,0,-9.40731,-3.38,-4.02,-4.399466239191869
Cc1ccc(CN[C@@H](NC(=O)c2cc3ccccc3oc2=O)C(Cl)(Cl)Cl)cc1,C39916765_decoy,GCR,Decoy,0,-9.79362,-8.65,-2.77,-9.555884839265545
C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(-c2ccccc2)cc1,C12621844_decoy,GCR,Decoy,0,-9.69718,-5.39,-0.69,-5.107420578220023
CCCCc1ccc2nc(NC(=O)[C@@H](C)[C@@H]3Sc4ccccc4NC3=O)sc2c1,C40839510_decoy,GCR,Decoy,0,-11.3204,-4.01,-1.46,-6.670586756709923
CSCC[C@@H](NC(=O)c1sc2nc(C)cc(C)c2c1C)c1nc2ccccc2[nH]1,C45901989_decoy,GCR,Decoy,0,-8.25067,0.62,-4.61,-2.559829457578781
CC[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)cc1,C24255860_decoy,GCR,Decoy,0,-7.57656,-6.0,-2.08,-5.055865502566171
COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl,C59438507_decoy,GCR,Decoy,0,-10.37,-4.54,-5.2,-4.739976222824689
CC(C)Oc1ccccc1CSc1nnc(-c2ccccc2Br)n1N,C59738521_decoy,GCR,Decoy,0,-9.73184,-9.02,-5.77,-9.90184238113344
O=C(CSc1nc(-c2cccc(Cl)c2)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl,C59793412_decoy,GCR,Decoy,0,-9.10186,-4.04,-4.08,-4.557424857958889
O=C(/N=C(/[N-]CCC1=c2ccccc2=[NH+]C1)Nc1ccccc1)c1cccc(Cl)c1,C63588509_decoy,GCR,Decoy,0,-9.76565,-6.24,-5.03,-5.867879215222614
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1,C02597712_decoy,GCR,Decoy,0,-11.5458,-8.31,-3.68,-8.700037277317382
O=C(Oc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1)c1ccccc1F,C04360387_decoy,GCR,Decoy,0,-11.3046,-7.22,-3.92,-6.909688122909718
CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@H](C)C2,C02967368_decoy,GCR,Decoy,0,-7.42218,-5.11,-4.5,-4.431246632288005
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)c1C,C08165689_decoy,GCR,Decoy,0,-10.9047,-7.06,-4.0,-6.56976358034562
Cc1ccc(C)c(NC(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1,C00935798_decoy,GCR,Decoy,0,-11.4854,-8.58,-4.22,-10.455047952293372
CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)cc2C)cc1,C09250245_decoy,GCR,Decoy,0,-8.8537,-4.18,-2.79,-4.699395796180253
CCCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2,C09608863_decoy,GCR,Decoy,0,-6.80488,-2.75,-3.53,-3.1194570313891066
O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1c(Cl)cccc1C(F)(F)F,C09633135_decoy,GCR,Decoy,0,-8.19288,-3.64,-4.81,-3.87084782864096
C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cc(Cl)ccc1Cl,C02618420_decoy,GCR,Decoy,0,-10.3096,-9.3,-2.62,-16.55249407360614
Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccccc3F)[nH]2)c2ccccc2)c1,C09801178_decoy,GCR,Decoy,0,-9.93136,-10.37,-2.32,-9.297705826339982
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1,C02817949_decoy,GCR,Decoy,0,-12.3089,-3.0,-4.06,-4.771490701968416
CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1,C09930244_decoy,GCR,Decoy,0,-11.3331,-5.33,-2.33,-7.17552654273621
C[C@H](NC(=O)CSc1nnc(Nc2ccccc2)s1)c1ccc2ccccc2c1,C11541441_decoy,GCR,Decoy,0,-9.17992,-2.4,-1.8,-3.6629792057275066
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)cc1,C12498831_decoy,GCR,Decoy,0,-11.325,-4.97,-3.26,-6.872263994457742
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1,C05961994_decoy,GCR,Decoy,0,-6.90442,-3.54,-2.74,-3.453184973104062
O=C(/C=C/c1ccco1)N/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc2ccccc2c1,C12658119_decoy,GCR,Decoy,0,-8.2733,-2.44,-3.44,-3.8498023652797775
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)cc1Br)O[C@@H](C)C2,C12739801_decoy,GCR,Decoy,0,-10.6156,-8.51,-1.68,-10.819301855812803
CC(C)CNC(=O)CSc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)[nH]1,C05238800_decoy,GCR,Decoy,0,-12.1193,-8.86,,99.0
O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1OCc1ccccc1,C13920918_decoy,GCR,Decoy,0,-10.5833,-7.81,-2.95,-8.930154879825693
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1,C14833521_decoy,GCR,Decoy,0,-7.82139,-3.66,-2.69,-3.879145238144757
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1C,C03276631_decoy,GCR,Decoy,0,-10.7763,-8.45,-1.13,-8.179441159898076
O=C(CNc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OCc1ccccc1,C02754556_decoy,GCR,Decoy,0,-10.5937,-4.02,-2.64,-5.033991051613793
Cc1cc2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc2cc1Cl,C16284293_decoy,GCR,Decoy,0,-12.8473,-4.13,-5.3,-5.516873634202466
Cc1cc2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc2cc1Cl,C16284315_decoy,GCR,Decoy,0,-11.8781,-7.67,-3.27,-8.442482605310019
CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1,C16610395_decoy,GCR,Decoy,0,-11.668,-4.96,-2.95,-6.653483453637484
CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl,C16692382_decoy,GCR,Decoy,0,-12.095,-6.79,-1.43,-9.036828649862157
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)nc2c1,C19646196_decoy,GCR,Decoy,0,-11.9053,-2.96,-1.43,-5.366831588327996
CC(C)(C)c1ccc(C(=O)O/N=C(\N)COc2ccc(C3SCCS3)cc2)cc1,C20224225_decoy,GCR,Decoy,0,-10.5255,-5.58,-0.86,-6.931026079494837
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC(C)C,C20562717_decoy,GCR,Decoy,0,-8.84238,-2.55,-2.98,-7.115137382226831
Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccc(Cl)cc3)[nH]2)c2ccccc2)cc1,C21172227_decoy,GCR,Decoy,0,-9.62641,-6.62,-4.44,-7.54906962507485
C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cccc(Cl)c1Cl,C23647395_decoy,GCR,Decoy,0,-10.9842,-9.01,-5.16,-13.43633212305576
COc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2C)cc1,C27521325_decoy,GCR,Decoy,0,-7.82242,-3.0,-4.38,-3.6174997979957
O=C(NCCC1=CCCCC1)c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1,C32995640_decoy,GCR,Decoy,0,-10.757,-6.58,-2.49,-6.857553941559881
CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1,C33000625_decoy,GCR,Decoy,0,-11.6172,-7.48,-1.8,-8.683289640440558
O=C(NCCC1=CCCCC1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1,C33010505_decoy,GCR,Decoy,0,-10.9258,-5.51,-1.85,-5.8247109256990575
O=C(NCCC1=CCCCC1)c1cccc(Nc2ccnc(-c3cccc(F)c3)n2)c1,C33025317_decoy,GCR,Decoy,0,-10.911,-8.92,-3.52,-8.591564791100401
CCCCNC(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)C[C@@H](c2cccc(C)c2)C1,C35893134_decoy,GCR,Decoy,0,-10.1815,-3.76,-4.83,-5.1472519358563655
CC(C)=CC(=O)N(c1ccccc1Cl)[C@@H](C(=O)NC1CCCCC1)c1ccccc1O,C36546810_decoy,GCR,Decoy,0,-10.6196,-4.07,-4.37,-5.064291309487437
Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccc1O)C(C)(C)C,C36584107_decoy,GCR,Decoy,0,-4.63035,-2.86,-2.62,-2.347586679628274
CC(C)(C)CC(C)(C)NC(=O)[C@H](C1CCCCC1)N(C(=O)c1ccc(O)cc1)C(C)(C)C,C36586306_decoy,GCR,Decoy,0,-8.97791,-3.04,-1.4,-4.216639239385967
CC(C)=CC(=O)N([C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1O)C(C)(C)C,C36589160_decoy,GCR,Decoy,0,-7.01486,-6.36,-0.76,-7.161210639794109
CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2cccc(F)c2)s1,C07853125_decoy,GCR,Decoy,0,-7.92916,-9.3,-1.81,-7.661949222528667
CCCCCCNC(=O)c1cccc(Nc2ncnc3ccc(Br)cc23)c1,C39264693_decoy,GCR,Decoy,0,-10.5023,-8.8,-1.52,-16.036478839416464
CCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)[C@@H](CC)c1ccccc1,C40426645_decoy,GCR,Decoy,0,-9.75952,1.23,-3.19,-4.799361298802417
CCCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(C)cc1,C39914400_decoy,GCR,Decoy,0,-10.1336,-4.01,-3.59,-4.849138245976272
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1,C46607226_decoy,GCR,Decoy,0,-11.4705,25.05,-3.79,5.78860596007542
CC[C@H](C(=O)N(c1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1)c1ccccc1,C36607060_decoy,GCR,Decoy,0,-7.90026,-4.16,-4.01,-4.488594908487028
CC(C)OC(=O)c1ccc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1,C54620457_decoy,GCR,Decoy,0,-10.2897,-3.77,-2.68,-4.7273248441515285
Nn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl,C31645332_decoy,GCR,Decoy,0,-10.0925,-4.61,-3.16,-4.769020168283041
CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1,C59437702_decoy,GCR,Decoy,0,-11.864,-3.92,-4.59,-5.065009114034423
CC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)s1,C00624819_decoy,GCR,Decoy,0,-10.7576,-5.28,-1.5,-5.285793092575604
COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cccc(C)c2)c1C,C00676514_decoy,GCR,Decoy,0,-10.7292,-3.41,-4.5,-4.764911382515492
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)[C@@H](O)c1ccccc1,C01208802_decoy,GCR,Decoy,0,-8.27341,-4.36,-3.67,-4.177159260573085
CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(F)(F)F)cc1,C04476386_decoy,GCR,Decoy,0,-8.01387,-3.23,-3.33,-3.732742524242655
O=C(c1ccc(F)cc1)n1nc(NCc2cccs2)nc1NCc1cccs1,C04723826_decoy,GCR,Decoy,0,-10.359,-3.98,-3.32,-4.2366110612876575
Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2sc3c(c2C#N)CCCC3)cc1,C05202857_decoy,GCR,Decoy,0,-9.63429,-7.35,-3.67,-9.90904689187569
COC(=O)c1c(NC(=S)N2CCN(c3ccc(O)cc3)CC2)sc2c1CCC2,C06397432_decoy,GCR,Decoy,0,-11.1997,-8.55,-0.78,-13.414230630296702
CNC(=O)[C@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)c2ccccc2O1,C07255516_decoy,GCR,Decoy,0,-10.8252,-5.72,-3.46,-6.197369538074612
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1,C08819101_decoy,GCR,Decoy,0,-10.2443,-8.96,-2.29,-16.369607831246597
Cc1ccc(S(=O)(=O)[C@H](CNC(=O)Nc2ccc(Cl)cc2)c2cccnc2)cc1C,C09007206_decoy,GCR,Decoy,0,-9.38129,-4.06,-4.32,-4.717549915321971
CCN(C(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccccc1,C09092511_decoy,GCR,Decoy,0,-8.86516,-7.91,-1.52,-7.876839919809039
Cc1cc(NCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)ccc1Br,C09365327_decoy,GCR,Decoy,0,-9.54701,-8.05,-3.41,-7.717245012767455
Cc1cc(C)c(C(=O)NCCS(=O)(=O)Nc2nc3c(C)cccc3s2)c(C)c1,C09523266_decoy,GCR,Decoy,0,-9.73009,-6.61,-3.42,-7.349546788659323
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21,C09708142_decoy,GCR,Decoy,0,-10.6168,-9.67,-3.28,-6.374546131097058
COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Br,C10152052_decoy,GCR,Decoy,0,-8.9343,-8.75,-3.49,-10.409929621789193
Cc1cc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)ccc1N1CCCC1=O,C11742361_decoy,GCR,Decoy,0,-11.0571,-5.26,-1.86,-5.768769433484575
O=c1c2[nH]c3ccccc3c2nc(SCCO)n1-c1ccc(OC(F)(F)F)cc1,C10244375_decoy,GCR,Decoy,0,-9.57436,-3.92,-1.23,-4.259994534217588
Cc1ccc(C(=O)NNC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1,C01377369_decoy,GCR,Decoy,0,-11.2896,-3.0,-2.14,-5.191354979128932
Cc1c(CC(=O)NCCCO)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12,C13575515_decoy,GCR,Decoy,0,-10.5367,-4.4,-2.71,-5.063861342885441
O=C1CC[C@@](CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)(Cc2cccs2)N1,C14992491_decoy,GCR,Decoy,0,-11.4635,-9.5,-2.84,-11.699135187951049
CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1,C15036164_decoy,GCR,Decoy,0,-10.9378,-4.07,-5.3,-5.251343618097101
COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1,C15037878_decoy,GCR,Decoy,0,-11.5556,-8.78,-5.74,-10.9287812403972
O=C(NNC(=O)c1ccc(Br)cc1F)c1ccc(COc2ccccc2)o1,C16488882_decoy,GCR,Decoy,0,-9.24301,-3.28,-2.26,-4.083820272674752
O=C(CSc1ccccc1F)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1,C16588955_decoy,GCR,Decoy,0,-10.6566,-5.54,-4.08,-6.558593804102887
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1,C18055482_decoy,GCR,Decoy,0,-11.7047,-8.9,-1.67,-8.81428202430941
O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(Cc1ccc(-c3ccn[nH]3)o1)CC2,C20907510_decoy,GCR,Decoy,0,-11.2168,-4.94,-3.33,-5.752413548391022
NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1,C21469472_decoy,GCR,Decoy,0,-10.7686,-8.38,-2.53,-9.251600450401304
CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)CCCC2,C21602424_decoy,GCR,Decoy,0,-10.0485,-3.64,-1.81,-4.871336714331955
CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NCc4cccnc4)[nH]c(=O)c23)C1,C21882557_decoy,GCR,Decoy,0,-11.8242,-10.09,-2.0,-14.859861188512562
CS(=O)(=O)c1ccc(Nc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1,C23136688_decoy,GCR,Decoy,0,-10.5283,-7.74,-2.16,-8.01403001231358
Cn1cc(C(=O)NNC(=O)COC(c2ccccc2)c2ccccc2)c2ccccc21,C24476435_decoy,GCR,Decoy,0,-9.85418,-3.29,-3.5,-4.428571542633685
CCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1,C24728109_decoy,GCR,Decoy,0,-8.46313,-5.29,-1.46,-4.65027357133384
C[C@@H]1CCc2sc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)cc2C1,C27495858_decoy,GCR,Decoy,0,-11.3881,-8.9,-4.11,-8.393988615087755
Cc1ccc(S(=O)(=O)NC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1,C01111748_decoy,GCR,Decoy,0,-9.4302,-5.23,-2.18,-5.312539326091592
O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1csc(Nc2ccccc2)n1,C32911218_decoy,GCR,Decoy,0,-10.0503,-3.89,-1.52,-4.91012133584515
O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccccc1F,C33000525_decoy,GCR,Decoy,0,-11.0514,-2.17,-2.45,-4.9102910800339385
CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2C)C1,C34900392_decoy,GCR,Decoy,0,-8.63306,-4.05,-3.34,-4.494736407263181
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)CC(C)C)C1,C34900535_decoy,GCR,Decoy,0,-10.7551,-4.03,-2.43,-5.2763100659018765
C[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cccs1,C08036347_decoy,GCR,Decoy,0,-8.79309,-3.71,-2.88,-3.472858479731715
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(SC(F)F)cc3)C2=O)cc1,C39544709_decoy,GCR,Decoy,0,-8.76182,-5.22,-0.91,-4.995354662088096
COCCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccccc1F,C39914166_decoy,GCR,Decoy,0,-10.1464,-4.07,-1.75,-4.708934558651415
Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccccc1)CCC2,C40804383_decoy,GCR,Decoy,0,-11.5749,-9.55,-3.48,-9.113909460610872
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O,C08502533_decoy,GCR,Decoy,0,-8.35552,-3.97,-4.47,-4.035124541988489
Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCCC2=CCCCC2)CSC3)c1,C05437438_decoy,GCR,Decoy,0,-10.4364,-4.38,-4.47,-5.434200862194651
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C/c1ccc(Br)o1,C03764534_decoy,GCR,Decoy,0,-10.2924,-7.13,-4.7,-5.556661645712232
Cn1c(SCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)nc2cc(Cl)ccc21,C59271082_decoy,GCR,Decoy,0,-9.31676,-9.69,-1.12,-13.870432188264957
CC[C@]1(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CCC(=O)NC1=O,C59989440_decoy,GCR,Decoy,0,-11.0454,-8.22,-3.64,-9.219049167908892
O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,C15540449_decoy,GCR,Decoy,0,-10.2241,2.86,-4.04,-3.350646427410212
COc1ccc(CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)cc1F,C64794125_decoy,GCR,Decoy,0,-10.9592,-3.09,-1.42,-4.5321075159419095
Cc1ccc(NC(=O)Cn2c(=O)nc(NCc3cccs3)c3ccccc32)c(C)c1,C65101961_decoy,GCR,Decoy,0,-10.1301,-9.92,-2.59,-9.692784044364188
CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c(O)c1,C04045781_decoy,GCR,Decoy,0,-11.6154,-7.23,-4.53,-7.036384535886819
O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccs2)c1,C02868262_decoy,GCR,Decoy,0,-10.8027,-9.84,-3.96,-12.789846978753136
CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)[nH]c(=O)c12,C08753545_decoy,GCR,Decoy,0,-11.3447,-6.1,-2.17,-8.41493686703282
CCOC(=O)c1c(NC(=O)CNc2ccc(Cl)cc2Cl)sc2c1CCCC2,C08788373_decoy,GCR,Decoy,0,-10.4597,-7.46,-3.38,-8.983343729653383
COc1ccc(/C=C/C(=O)NCCSc2c(-c3ccccc3)[nH]c3ccccc23)cc1OC,C08923873_decoy,GCR,Decoy,0,-10.2807,-5.74,-3.32,-6.997662275513649
CC(C)c1ccc(NC(=O)CSc2ncccc2C(=O)NCCC2=CCCCC2)cc1,C03021104_decoy,GCR,Decoy,0,-10.7005,-5.42,-3.08,-5.922901155138279
CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC,C10684330_decoy,GCR,Decoy,0,-9.66477,-6.22,-2.45,-8.590705622656161
CC(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2Cl)c(Br)c1,C12580245_decoy,GCR,Decoy,0,-10.3,-5.87,-1.78,-6.562286998248566
CC(=O)c1ccc(NC(=O)/C(=C/c2ccc(Cl)cc2)NC(=O)/C=C/c2ccccc2)cc1,C12656848_decoy,GCR,Decoy,0,-7.03226,-3.31,-3.39,-3.59884469462567
C=C(C)COc1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC(C)C,C09697414_decoy,GCR,Decoy,0,-10.057,-8.23,-3.36,-9.131381677335137
CCCOc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(CC)cc3)c(C)s2)cc1,C02788630_decoy,GCR,Decoy,0,-10.4384,-4.95,-4.66,-6.486592088120005
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc([C@H](C)CC)cc1Br,C14832126_decoy,GCR,Decoy,0,-10.7558,-7.93,-3.9,-10.176676197569876
CCCCNC(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC)cc1,C14833303_decoy,GCR,Decoy,0,-10.7511,-7.67,-4.06,-9.153852829054294
CC[C@@H](C)NC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1,C14837843_decoy,GCR,Decoy,0,-11.3795,-5.7,-3.04,-6.76071907832554
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)NCCc2ccccc2)CCCC3)cc1,C02824064_decoy,GCR,Decoy,0,-11.3297,-2.68,-3.71,-5.8947114282720205
Cc1cc(C)c(Nc2nnc(SCC(=O)NCc3cccs3)s2)c(Cl)c1,C16328401_decoy,GCR,Decoy,0,-12.3796,-7.59,-27.34,-8.321614190422359
CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1SCc1cc(=O)c2cccc(C)c2[nH]1,C21099207_decoy,GCR,Decoy,0,-10.1677,-8.06,-3.56,-7.856288609344833
Cc1ccc(-c2n[nH]c(S[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C(C)C)n2)cc1,C32326572_decoy,GCR,Decoy,0,-8.95119,-10.73,-2.98,-14.081006230273715
Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1,C32505393_decoy,GCR,Decoy,0,-10.571,-8.37,-5.63,-7.214555299013752
CCCCCc1c(-c2ccc3c(c2)OCCO3)c(C(N)=O)c(C)n1CCc1cccs1,C33804120_decoy,GCR,Decoy,0,-11.6674,-3.06,-3.68,-5.127952717757003
O=C(NCCN(C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1)[C@H](Cl)c1ccccc1,C34971763_decoy,GCR,Decoy,0,-9.50381,-3.51,-2.06,-4.539403261537816
CC(C)CCNC(=O)[C@@H]1CN(C(=O)NC(C)(C)C)C[C@H]1c1cccc(C(F)(F)F)c1,C36042404_decoy,GCR,Decoy,0,-8.50072,-3.97,-2.73,-4.504609330903885
CC[C@H](C(=O)N(C)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)cc1)c1ccccc1,C36527248_decoy,GCR,Decoy,0,-8.56621,-2.59,-2.88,-4.081110107704283
CCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)N(C)C(=O)c1ccccc1O,C36528587_decoy,GCR,Decoy,0,-8.82094,-6.52,-2.88,-8.375955209588518
CCCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)C#Cc1ccccc1)c1ccccc1Cl,C36544744_decoy,GCR,Decoy,0,-9.92556,-3.41,-4.08,-4.660128917172142
CCC/C=C/[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1ccc(O)cc1)c1ccccc1Cl,C36545014_decoy,GCR,Decoy,0,-10.3526,-3.71,-3.66,-5.209679040755183
CCCCNC(=O)[C@@H](c1ccccc1O)N(C(=O)c1ccccc1)c1ccccc1Cl,C36546555_decoy,GCR,Decoy,0,-9.4744,-3.18,-2.92,-4.587743654704151
CC[C@@H](C(=O)N([C@H](C(=O)NC(C)(C)C)c1ccc(O)cc1)C(C)(C)C)c1ccccc1,C36582950_decoy,GCR,Decoy,0,-6.19197,-2.54,-1.28,-3.188315409075056
Cc1ccccc1[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c1ccc(O)cc1)C(C)(C)C,C36586387_decoy,GCR,Decoy,0,-7.19025,-2.83,-4.47,-3.588051787842936
Cc1ccccc1[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c1ccc(O)cc1)C(C)(C)C,C36586388_decoy,GCR,Decoy,0,-7.66571,-2.66,-2.74,-3.771752003703772
C[C@@H](Sc1nnc(Nc2ccc(SC(F)F)cc2)s1)C(=O)Nc1ccccc1,C36795607_decoy,GCR,Decoy,0,-10.5065,-8.98,-4.66,-7.890459502759713
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCC2,C03079085_decoy,GCR,Decoy,0,-10.0332,-4.51,-0.91,-5.17390212809338
CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=S)NC(=O)c1cccs1,C40898484_decoy,GCR,Decoy,0,-13.3871,-8.64,-2.91,-6.029647387937678
Cc1cc(OCC(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)ccc1C(C)C,C40899389_decoy,GCR,Decoy,0,-11.47,-5.93,-4.75,-6.584320654929397
O=C([O-])c1ccc(C[NH+]2[C@@H]3CC[C@H]2CC(Nc2ccc(Cc4ccncc4)cc2)C3)cc1,C40936000_decoy,GCR,Decoy,0,-9.23803,-3.83,-3.84,-4.128744911237832
C[C@@H](NC(=O)CSc1nnc(Nc2cccc(Br)c2)s1)c1ccccc1,C45540863_decoy,GCR,Decoy,0,-10.3097,-8.72,-3.81,-10.11590327673884
CCCCNC(=O)[C@@H](c1ccccc1O)N(C(=O)C#Cc1ccccc1)c1ccccc1,C36609580_decoy,GCR,Decoy,0,-9.05659,-2.71,-2.03,-4.2361638246094415
CCCCNC(=O)[C@@H]([C@@H](C)c1ccccc1)N(C(=O)c1ccc(O)cc1)c1ccccc1,C36609848_decoy,GCR,Decoy,0,-9.8868,-3.37,-3.39,-4.641933493504062
CCc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccccc3F)c3ccccc32)cc1,C03042753_decoy,GCR,Decoy,0,-8.71111,-8.78,-3.38,-7.367304132487783
O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1SC1CCCC1,C58326867_decoy,GCR,Decoy,0,-11.1847,-5.05,-1.58,-5.812799044038587
O=C(CCSc1nnc(Nc2ccc(SC(F)F)cc2)s1)Nc1ccccc1,C58491811_decoy,GCR,Decoy,0,-10.9344,-8.21,-2.87,-8.334306108349292
Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1,C58887469_decoy,GCR,Decoy,0,-10.6792,-7.91,-2.62,-9.626538396205666
C=CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(CC)cc3)sc2c1,C59721137_decoy,GCR,Decoy,0,-12.7885,-7.64,-1.97,-8.32755506721903
O=C(CSc1nc(-c2cccc(Cl)c2)n[nH]1)NC(c1ccccc1)c1ccccc1,C59793748_decoy,GCR,Decoy,0,-10.6496,-7.44,-1.37,-9.920657574090525
O=C(CCSc1nc(-c2cccc(Cl)c2)n[nH]1)NC(c1ccccc1)c1ccccc1,C59793750_decoy,GCR,Decoy,0,-12.1987,-9.73,-2.37,-15.818856221427566
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OC[C@@H]3CCCO3)cc2)c(Br)c1,C59830275_decoy,GCR,Decoy,0,-9.93892,-7.84,-2.29,-7.747916949047262
CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1,C09674117_decoy,GCR,Decoy,0,-9.94531,-2.0,-4.66,-5.941462261063667
Cc1ccc(Cl)cc1N/C(=N\C(=O)c1cccs1)[N-]CCC1=c2ccccc2=[NH+]C1,C63588994_decoy,GCR,Decoy,0,-11.0685,-3.68,-3.67,-5.159163485810735
COc1ccc2c(C[NH2+]CCC3=CCCCC3)c(C(=O)[O-])n(Cc3cccc(F)c3)c2c1,C09274794_decoy,GCR,Decoy,0,-10.591,-8.13,-2.81,-8.67479930279181
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(Br)c1,C66199296_decoy,GCR,Decoy,0,-10.2133,-6.49,-4.13,-6.4882702775209005
C[C@H](NC(=O)c1ccccc1Br)C1C2CC3CC(C2)CC1C3,C01049460_decoy,GCR,Decoy,0,-8.6455,-8.9,-0.54,-9.022188569533622
C[C@@H](NC(=O)c1ccccc1Br)C1C2CC3CC(C2)CC1C3,C01049461_decoy,GCR,Decoy,0,-8.699,-8.6,-1.36,-8.891506705026684
Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1Cl,C00453673_decoy,GCR,Decoy,0,-8.72591,-8.14,-1.22,-9.84970366184522
Cc1ccc(C)c(NC(=O)CSc2ccc(Br)cc2)c1,C01144746_decoy,GCR,Decoy,0,-8.65687,-6.76,-1.76,-6.623233994370286
O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCC1=CCCCC1,C00475628_decoy,GCR,Decoy,0,-10.122,-5.19,-1.38,-5.259578610427027
Cc1ccc(NCCC(=O)c2ccc(Br)cc2)cc1C,C05060268_decoy,GCR,Decoy,0,-8.4246,-7.78,-0.71,-13.397228127233056
CSC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,C03206413_decoy,GCR,Decoy,0,-11.2708,-2.64,-6.27,-4.18477719452978
O[C@](/C=C/c1ccccc1)(c1ccccc1)c1nc2ccccc2s1,C01609991_decoy,GCR,Decoy,0,-10.4435,-4.19,-1.38,-5.031970002620225
Cc1ccccc1[C@H](C)NC(=O)/C=C/c1cc(Br)ccc1F,C06053928_decoy,GCR,Decoy,0,-8.18491,-5.82,-1.73,-7.261074235521471
Cc1ccc(NC[C@H]2CC/C(=C/c3ccc(Cl)cc3)C2=O)cc1,C01638098_decoy,GCR,Decoy,0,-9.537,12.18,-2.19,0.8336896269127226
O=C(/C=C/c1ccccc1F)NCCC12CC3CC(CC(C3)C1)C2,C06884384_decoy,GCR,Decoy,0,-9.1533,-6.37,-4.83,-6.24459593246332
O=C(Cc1c(Cl)cccc1Cl)NC1C2CC3CC(C2)CC1C3,C07037132_decoy,GCR,Decoy,0,-9.5411,-8.39,-5.05,-9.906236764040608
O=C(NCC1(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2,C11899735_decoy,GCR,Decoy,0,-8.5796,-7.5,,99.0
CCN(CC)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@H]3C=CC[C@H]32)cc1,C14461674_decoy,GCR,Decoy,0,-9.64668,-4.75,-1.7,-4.760854426915247
O=C(/C=C\Nc1cccc(Cl)c1)c1ccc(Cl)cc1Cl,C16398875_decoy,GCR,Decoy,0,-9.24539,-8.12,-1.69,-8.069224956338491
COc1ccc([C@H](C)Nc2cccc(I)c2)cc1,C20478913_decoy,GCR,Decoy,0,-8.31756,-7.53,-0.69,-8.229508454672139
COC(C)(C)C[C@H](C)Nc1ccc(I)cc1,C20524814_decoy,GCR,Decoy,0,-7.38012,-5.37,-1.18,-7.1558640296092575
CCN(CC)c1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@H]32)cc1,C20696823_decoy,GCR,Decoy,0,-10.2724,-3.51,-1.68,-4.524861644608174
CCN(CC)c1ccc([C@@H]2Nc3c(ccc(C)c3C)[C@@H]3C=CC[C@H]32)cc1,C20697005_decoy,GCR,Decoy,0,-10.5126,-3.26,-4.28,-4.356796415430627
CC[C@@H](Nc1ccc(Br)c(C)c1)c1ccc(OC)cc1,C21011259_decoy,GCR,Decoy,0,-7.81377,-7.13,-1.62,-6.89433702198943
COc1cc(Cl)c(C)cc1N[C@H](C)c1ccc(Br)cc1,C21520861_decoy,GCR,Decoy,0,-8.7813,-7.29,-2.53,-7.808714796624306
Cc1cc(C)c(C)c(SCC(=O)N[C@@H](C)c2cccs2)c1C,C23485344_decoy,GCR,Decoy,0,-10.2869,-7.93,-2.55,-15.966532093210528
CC(=O)c1ccc(O)c(CSc2cc(Cl)ccc2Cl)c1,C35054501_decoy,GCR,Decoy,0,-9.18297,-2.95,-1.33,-3.66772561681722
C[C@@H](CCc1ccco1)Nc1c(F)cc(F)cc1Br,C35452052_decoy,GCR,Decoy,0,-7.0724,-7.01,-0.72,-6.396806971995455
Cc1cc(N(C)C)ccc1N[C@@H](C)c1cc(Cl)ccc1Cl,C36934799_decoy,GCR,Decoy,0,-8.97894,-7.01,-0.78,-7.386980398524476
CCOc1c(Br)cc(Cl)cc1N[C@@H](C)C1(C)CC1,C36989267_decoy,GCR,Decoy,0,-8.44167,-6.6,-2.86,-12.4178655297104
CC(C)CNc1cc(Cl)cc(Br)c1OC(F)F,C36989703_decoy,GCR,Decoy,0,-7.76313,-6.48,-2.03,-7.07390476415662
CC[C@H](Nc1ccc(C)cc1Br)c1ccc2c(c1)CCO2,C37189062_decoy,GCR,Decoy,0,-9.79201,-3.02,-1.08,-4.159661600633567
Clc1cccc(N[C@H](c2ccco2)c2ccc(Cl)s2)c1,C37202529_decoy,GCR,Decoy,0,-9.41486,-6.69,-1.36,-7.405977027118575
Fc1cccc(F)c1N[C@H](c1ccco1)c1ccc(Cl)s1,C37247292_decoy,GCR,Decoy,0,-9.58523,-7.32,-3.76,-7.725824879434638
Cc1cc(N(C)C)ccc1N[C@H](C)c1sccc1Br,C37274254_decoy,GCR,Decoy,0,-9.46969,-7.75,-4.37,-7.929168606895146
CSc1ccccc1N[C@@H]1CCOc2c(Cl)cc(Cl)cc21,C37279229_decoy,GCR,Decoy,0,-10.7163,-7.94,-0.47,-8.122861384461947
C[C@H](Nc1ccccc1N1CCCC1)c1sccc1Br,C37279783_decoy,GCR,Decoy,0,-8.67773,-3.12,-2.88,-3.9012068850899575
CC(C)[C@@H](Nc1ccc(C#N)cc1Br)c1cccs1,C37302240_decoy,GCR,Decoy,0,-9.06827,-7.83,-0.61,-10.330788690436025
C[C@H](Nc1ccc(C#N)c(Cl)c1)c1cc(Cl)ccc1Cl,C37393272_decoy,GCR,Decoy,0,-8.89274,-7.63,-1.26,-7.72684817006601
CC(C)c1ccc([C@@H](C#N)Nc2ccc(Br)cc2)cc1,C37936347_decoy,GCR,Decoy,0,-7.63364,-7.12,-0.49,-6.857125137737192
N#C[C@H](Nc1ccccc1Br)c1cccc(Cl)c1Cl,C37938367_decoy,GCR,Decoy,0,-8.27673,-7.53,-1.35,-6.488228081937704
CC(C)N(C)c1ccc(N[C@@H](C)c2ccc(Cl)s2)cc1F,C36942793_decoy,GCR,Decoy,0,-9.46628,-7.4,-1.28,-9.05707942198827
Fc1cccc(N[C@H](c2ccco2)c2ccc(Cl)s2)c1F,C40230376_decoy,GCR,Decoy,0,-8.3074,-7.71,-1.31,-7.420965190575283
OCCC#Cc1ccc(COc2cc(Cl)cc(Cl)c2)s1,C43682983_decoy,GCR,Decoy,0,-10.7666,-7.12,-2.24,-10.465071336619934
Cc1ccc(C(=O)/C=C/Nc2ccc(Br)cc2F)cc1C,C44844136_decoy,GCR,Decoy,0,-9.1441,-1.0,-1.48,-3.712940131455548
Cc1cc(Br)cc(Cl)c1NC(=O)CCc1ccsc1,C48501848_decoy,GCR,Decoy,0,-9.33752,-7.47,-0.68,-8.017073606879844
O=C(Nc1ccc(Br)cc1)[C@H]1CCCC[C@H]1C(F)(F)F,C48502191_decoy,GCR,Decoy,0,-7.4745,-7.19,-0.72,-6.93256299596458
O=C(NCC1(c2cccs2)CCCC1)c1ccc(Cl)s1,C49511932_decoy,GCR,Decoy,0,-9.56659,-4.74,-0.81,-4.961512724081409
COc1ccc(N[C@@H](C)c2sccc2Br)cc1C,C49528624_decoy,GCR,Decoy,0,-9.17963,-6.39,-1.71,-7.532713989757943
O[C@H](Cc1csc(-c2ccc(Br)cc2)n1)c1ccccc1,C51966466_decoy,GCR,Decoy,0,-9.73745,-4.01,-1.67,-4.150318433990084
CC(C)(C)c1ccc(C(=O)NC2CCCCC2)cc1Br,C00486633_decoy,GCR,Decoy,0,-9.40565,-3.73,-1.08,-5.061475490173745
C[C@H](NCc1cnc(C(C)(C)C)s1)c1ccccc1Br,C59180772_decoy,GCR,Decoy,0,-8.43286,-5.49,-1.23,-6.38957247720401
C[C@@H](NCc1cnc(C(C)(C)C)s1)c1ccccc1Br,C59180773_decoy,GCR,Decoy,0,-8.65967,-6.0,-1.29,-7.41687833307381
O=C(CCNc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1,C16428622_decoy,GCR,Decoy,0,-7.74477,-7.83,-0.88,-7.1827781976350105
CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1,C02549319_decoy,GCR,Decoy,0,-9.986,-4.14,-5.12,-4.832376442862734
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1,C04377442_decoy,GCR,Decoy,0,-9.30731,-2.14,-5.2,-3.620340795799731
O=C(/C=C\c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,C04531180_decoy,GCR,Decoy,0,-8.74836,-4.34,-2.61,-6.047097249374476
O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl,C00671344_decoy,GCR,Decoy,0,-10.1387,-8.29,-0.76,-7.759978675732688
O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc(-c2ccccc2)cc1,C01107243_decoy,GCR,Decoy,0,-8.94511,-10.17,-3.97,-11.17863185391293
Cc1ccc(C)c(NC(=S)N(C2CCCCC2)[C@H](C)c2ccco2)c1,C02943829_decoy,GCR,Decoy,0,-9.72601,-8.28,-2.32,-11.866490686497125
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1,C04690817_decoy,GCR,Decoy,0,-9.46591,-7.91,-2.41,-7.7087622810537795
Cc1ccc(CSCc2ccc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)o2)cc1,C04708660_decoy,GCR,Decoy,0,-9.17011,-6.09,-4.21,-6.37880777526057
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)cc3)n2)cc1,C04844191_decoy,GCR,Decoy,0,-9.36318,-2.03,-1.66,-3.976646439632952
CCc1cccc(C)c1N[C@@H]1c2ccccc2C(=O)N1c1ccc(Cl)cc1,C04899981_decoy,GCR,Decoy,0,-8.47137,-7.37,-1.19,-4.703280733113215
CC(=O)Oc1ccc(O)c(C[C@]2(C)[C@H]3CCC=C(C)[C@@]3(C)CC[C@@H]2C)c1,C05533880_decoy,GCR,Decoy,0,-9.71148,-9.25,-1.93,-10.532269768437809
Cc1ccc(S[C@@H](C)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1,C05746507_decoy,GCR,Decoy,0,-9.4187,-3.2,-2.29,-4.465377761895268
Cc1ccc(S[C@H](C)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1,C05746516_decoy,GCR,Decoy,0,-9.06812,-3.55,-3.62,-4.161283079778149
Cc1ccc(C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1Br,C06033035_decoy,GCR,Decoy,0,-8.69112,-6.82,-1.67,-5.416857789653224
CC(C)CNc1nc(-c2cccc(Br)c2)nc2ccccc12,C06774054_decoy,GCR,Decoy,0,-8.79003,-3.83,-1.17,-3.890793442624937
C#CC(CC)(CC)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1,C08324132_decoy,GCR,Decoy,0,-10.2855,-7.41,-1.56,-13.31817497440679
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(Cl)c1,C08566904_decoy,GCR,Decoy,0,-9.79245,-7.94,-1.47,-8.175761159428701
Cc1ccc2nc3sc(C(=O)N[C@H](C)CCc4ccccc4)cc3cc2c1,C09528712_decoy,GCR,Decoy,0,-10.6057,-3.68,-1.76,-4.3528022585634885
O=C(COc1ccc2ccccc2c1)N[C@@H](c1ccccc1)c1cccs1,C12265641_decoy,GCR,Decoy,0,-9.4527,-7.75,-1.97,-8.675334499934756
Cc1ccc(NC(=O)C[C@@H](c2cccc(C)c2)c2cn(C)c3ccccc23)cc1,C06546480_decoy,GCR,Decoy,0,-9.12736,-5.31,-2.3,-5.4276312669599465
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CSc1c2c(nc3ccccc13)CCCC2,C04922131_decoy,GCR,Decoy,0,-11.3151,-10.48,-2.61,-9.973096393073847
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2,C14464400_decoy,GCR,Decoy,0,-10.6874,-4.13,-3.0,-4.852195610448724
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C14464404_decoy,GCR,Decoy,0,-10.6563,-4.44,-4.45,-4.994963208293124
CCOCCOc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21,C14464445_decoy,GCR,Decoy,0,-10.2169,-10.07,-0.84,-18.29663392050505
CCOCCOc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21,C14464449_decoy,GCR,Decoy,0,-10.1277,-5.54,-3.99,-7.782243765508146
CCOCCOc1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21,C14475482_decoy,GCR,Decoy,0,-10.1969,-3.56,-2.7,-4.775629535703852
CCOc1ccc([C@@H]2Nc3ccc(N(CC)CC)cc3[C@@H]3C=CC[C@@H]32)cc1,C14480460_decoy,GCR,Decoy,0,-10.4206,14.32,-0.66,1.974886021810715
CCOc1ccc([C@@H]2Nc3ccc(N(CC)CC)cc3[C@H]3C=CC[C@H]32)cc1,C14480463_decoy,GCR,Decoy,0,-10.1948,-5.44,-3.92,-8.339073469407033
CCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCC)N2,C14545628_decoy,GCR,Decoy,0,-9.76776,-2.54,-0.75,-4.116554504041779
CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)C(C)(C)C)O3)cc1,C14994108_decoy,GCR,Decoy,0,-10.5587,-4.51,-2.13,-4.954863728440459
O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)cc1Cl,C15870312_decoy,GCR,Decoy,0,-8.6935,8.11,-1.3,-0.2070663605350628
C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCc2ccccc21,C16442534_decoy,GCR,Decoy,0,-8.81374,-10.04,-2.33,-13.2244715019518
C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCCc2ccccc21,C16442536_decoy,GCR,Decoy,0,-8.33519,-8.87,-1.67,-8.736537043866784
CCOc1cccc2c1N[C@H](c1ccc(N(CC)CC)cc1)[C@@H]1CC=C[C@@H]21,C20697049_decoy,GCR,Decoy,0,-10.1156,-4.52,-1.26,-5.16334398392504
CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1,C21157795_decoy,GCR,Decoy,0,-10.53,-9.24,-1.13,-9.126930832302966
CC(=O)c1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1,C12651097_decoy,GCR,Decoy,0,-8.70468,-6.26,-3.53,-3.207416556791815
Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccccc2C)c2ccccc2)cc1,C22513473_decoy,GCR,Decoy,0,-8.27196,-8.06,-3.2,-8.992910221112615
Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccccc2C)c2ccccc2)cc1,C22513478_decoy,GCR,Decoy,0,-5.26639,-5.25,-2.47,-3.6493608433004696
CC(=O)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1,C26507493_decoy,GCR,Decoy,0,-10.5819,-8.04,-1.13,-7.34820242630247
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1csc(-c2ccccc2Cl)n1,C26686365_decoy,GCR,Decoy,0,-9.68931,-6.51,-3.06,-7.189408855611292
Fc1ccc(-c2csc(N/N=C/c3ccc(Cl)cc3Cl)n2)cc1,C33790224_decoy,GCR,Decoy,0,-10.5168,-5.68,-0.84,-5.151279652271042
C[C@@H](CNC(=O)Cn1c(-c2cccs2)cc2ccccc21)c1ccccc1,C08596907_decoy,GCR,Decoy,0,-9.30541,-8.11,-2.15,-10.20422628444466
CC(C)c1cccc(NC(=O)c2ccccc2SCc2cscn2)c1,C39549229_decoy,GCR,Decoy,0,-10.9674,-7.56,-2.84,-9.850478918120388
Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1,C44885850_decoy,GCR,Decoy,0,-8.63889,-9.24,-2.84,-10.12438608638214
Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1,C44885855_decoy,GCR,Decoy,0,-9.14526,-9.54,-1.69,-11.633441772959532
S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C1CCCCC1,C59094577_decoy,GCR,Decoy,0,-10.2136,-7.1,-2.47,-9.465909552276331
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1,C59133349_decoy,GCR,Decoy,0,-9.3642,-3.01,-2.9,-5.821035180737132
C=CCc1cc(/C=N/c2ccc(C)cc2Br)cc(OCC)c1O,C59249228_decoy,GCR,Decoy,0,-10.4329,-5.23,-1.68,-7.112640471988138
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(C)c(C)c2C)c1,C59473048_decoy,GCR,Decoy,0,-8.68211,-7.49,-2.1,-8.170711653750235
C=CCc1cc(/C=N/c2ccc(Br)cc2C)cc(OCC)c1O,C59679117_decoy,GCR,Decoy,0,-10.1006,-2.52,-3.28,-3.939486784996429
Brc1ccc2nc(CCc3ccccc3)c(NCc3ccccc3)n2c1,C04155356_decoy,GCR,Decoy,0,-8.85532,-7.78,-2.77,-9.21833568163416
FC(F)(F)Oc1ccc(CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1,C04333980_decoy,GCR,Decoy,0,-9.34486,-7.71,-1.69,-10.287714366915678
Cc1cc(SCC(=O)Nc2ccc(SC(F)F)cc2)nc2ccccc12,C02860533_decoy,GCR,Decoy,0,-10.9714,-7.7,-0.68,-9.763738932072012
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc2c3c(cccc13)CC2,C02056137_decoy,GCR,Decoy,0,-11.2652,-6.79,-2.62,-7.774882350034462
O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NC1CCCCC1,C03581571_decoy,GCR,Decoy,0,-10.4305,-3.96,-4.08,-4.80501891915417
O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)Nc1ccccc1,C03582032_decoy,GCR,Decoy,0,-9.92574,-10.88,-2.95,-10.449627323218044
CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Br)cc1,C02988463_decoy,GCR,Decoy,0,-8.49752,6.17,-3.09,-0.773345641046575
CCc1cccc(CC)c1NC(=O)CSc1nc2cc(Cl)ccc2s1,C02862996_decoy,GCR,Decoy,0,-10.0304,-8.31,-4.21,-8.966684718700112
O=C(CCCOc1ccc(Cl)cc1Cl)Nc1c(Cl)cccc1Cl,C02747668_decoy,GCR,Decoy,0,-10.5711,-8.55,-0.71,-7.843872194141758
O=C(Nc1ccc(F)c(F)c1F)c1ccc(CSc2ccc(Cl)cc2)cc1,C03229468_decoy,GCR,Decoy,0,-9.26394,-9.37,-0.79,-8.231133028735838
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C(c1ccccc1)c1ccccc1,C05722765_decoy,GCR,Decoy,0,-9.64787,-8.14,-2.71,-9.07588731090054
Cc1ccc(SCCCC(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1,C07597209_decoy,GCR,Decoy,0,-9.41969,-4.63,-1.99,-4.940837270890912
Cc1cc(Cl)cc2sc(NC(=O)CCCSc3ccc(F)cc3)nc12,C07597358_decoy,GCR,Decoy,0,-10.9364,-8.42,-1.21,-10.890968419670624
Cc1cc(C)c2nc(NC(=O)CCCSc3ccc(Cl)cc3)sc2c1,C07597406_decoy,GCR,Decoy,0,-9.60599,-4.06,-1.28,-4.438530460553783
O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@H](c1ccc(Cl)cc1)C1CC1,C08312778_decoy,GCR,Decoy,0,-9.30865,-2.97,-1.83,-4.235323296091354
Clc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1,C08429860_decoy,GCR,Decoy,0,-10.1916,-4.01,-4.69,-4.417058774212602
O=C(COc1c(Cl)cccc1Cl)N[C@H](c1ccccc1)c1cccs1,C08557396_decoy,GCR,Decoy,0,-11.2733,-6.42,-3.61,-8.8575603137334
[O-][S@+](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1c(Cl)cccc1Cl,C08762163_decoy,GCR,Decoy,0,-10.9183,-4.46,-2.15,-5.308586726667687
Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1Cl,C09196466_decoy,GCR,Decoy,0,-11.7315,-8.55,-2.5,-9.128696935649806
CCSc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1,C09383599_decoy,GCR,Decoy,0,-7.81629,-3.6,-2.62,-3.4730857948110847
O=C(Cc1csc(-c2ccc(F)cc2)n1)N[C@H](c1ccc(Cl)cc1)C1CC1,C09861696_decoy,GCR,Decoy,0,-9.74657,-3.89,-1.78,-4.428727964552452
Cc1ccc(Cn2c(CO)cnc2SCc2ccc(Cl)c(Cl)c2)cc1,C10019792_decoy,GCR,Decoy,0,-10.9728,-8.5,-3.4,-9.493417805011624
OCc1cnc(SCc2cccc3ccccc23)n1Cc1ccc(Cl)cc1,C10019864_decoy,GCR,Decoy,0,-9.78449,-8.24,-1.66,-9.38583520900904
O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc(Cc2ccccc2)cc1,C10694937_decoy,GCR,Decoy,0,-10.4357,-4.13,-4.81,-4.497192151211522
Cc1cc(SCC(=O)N/N=C/c2cccc(Br)c2)c(C)cc1Br,C03231970_decoy,GCR,Decoy,0,-10.219,-7.54,-1.43,-10.597529101404689
CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1,C14649324_decoy,GCR,Decoy,0,-9.84439,-2.95,-3.85,-4.404879045343189
CCCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C,C14649408_decoy,GCR,Decoy,0,-9.69167,-8.01,-4.09,-10.934161203562509
CC[C@@H](C)c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(Br)c1,C14831828_decoy,GCR,Decoy,0,-9.80739,-9.19,-4.83,-10.699299488573049
Cc1sc2nc(SC[C@H](Cl)CSc3ccccc3)[nH]c(=O)c2c1C,C16779235_decoy,GCR,Decoy,0,-11.5605,-8.25,-1.55,-8.103700615287973
Cc1cccc(C(=O)N[C@@H](Oc2ccc(Br)cc2)C(Cl)(Cl)Cl)c1,C01480449_decoy,GCR,Decoy,0,-9.64124,-8.7,-2.41,-8.81744460204078
O=C(Cc1csc(-c2ccccc2)n1)N[C@H](c1ccccc1)c1cccs1,C20019072_decoy,GCR,Decoy,0,-10.2665,-9.28,-5.31,-9.088675333014937
CC(C)[C@@](O)(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1,C20868662_decoy,GCR,Decoy,0,-10.648,-4.92,-3.69,-5.610626314684529
O=C(Nc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1)c1cccc(Cl)c1,C01946557_decoy,GCR,Decoy,0,-10.1994,3.93,-1.66,-2.543914322053607
CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1ccc(Br)cc1,C32528882_decoy,GCR,Decoy,0,-9.86721,-6.05,-2.27,-7.966487492762055
Cc1ccc(Cn2cc(SCC(=O)NC3CCCCC3)c3ccccc32)cc1,C06546445_decoy,GCR,Decoy,0,-9.30851,-9.6,-3.13,-9.10974833739574
CC[C@@H](C)NC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(Cc2ccc(F)cc2)C1,C34716632_decoy,GCR,Decoy,0,-9.43343,-3.2,-1.86,-5.9932875590644334
CCOc1ccc([C@@H](C)Nc2ccc(Br)cc2Br)cc1,C36956839_decoy,GCR,Decoy,0,-9.82969,-6.78,-0.8,-11.531432204214438
CCOc1ccc([C@H](C)Nc2cc(Br)ccc2Br)cc1,C37121643_decoy,GCR,Decoy,0,-9.39386,-7.32,-0.09,-8.595429385354016
Cc1cc(C)cc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1,C04570855_decoy,GCR,Decoy,0,-7.56046,-7.39,-2.43,-8.230752667415619
Fc1ccccc1CCNCc1cn(Cc2ccccc2Cl)c2ccccc12,C40721301_decoy,GCR,Decoy,0,-9.99913,-6.78,-1.99,-7.011815744552537
Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)C)cc1Br,C40942513_decoy,GCR,Decoy,0,-9.7165,-9.62,-2.52,-9.910249495798922
Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1,C44846458_decoy,GCR,Decoy,0,-9.83635,-6.59,-5.77,-5.370279964082408
Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1,C44846462_decoy,GCR,Decoy,0,-9.84122,-4.38,-2.2,-4.619979263606855
CC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1Br,C54363229_decoy,GCR,Decoy,0,-9.77622,-6.96,-1.15,-8.860118446093928
O=C(NC1CCCCC1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2,C59246047_decoy,GCR,Decoy,0,-10.1238,-3.19,-4.46,-4.39944983517259
C=CCc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(OCC)c1O,C59249442_decoy,GCR,Decoy,0,-11.1973,-2.82,-1.9,-4.850623422567358
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc2c3c(cccc13)CC2,C59372730_decoy,GCR,Decoy,0,-10.9021,-7.21,-4.2,-7.320546538759212
Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Br)cc2Cl)c1,C64985215_decoy,GCR,Decoy,0,-9.47804,-7.92,-1.97,-9.34944891832268
Cc1cc(C)cc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)c1,C04912963_decoy,GCR,Decoy,0,-10.4292,-8.94,-3.93,-9.304836667921284
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1,C06306905_decoy,GCR,Decoy,0,-12.5091,-4.91,-4.0,-5.853369866514445
CCc1cccc(CC)c1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1,C02621752_decoy,GCR,Decoy,0,-10.4589,-9.42,-3.61,-9.727907226405287
COP(=O)(OC)[C@H](Nc1ccc(I)cc1)c1ccccc1,C03092828_decoy,GCR,Decoy,0,-6.68888,-5.49,-1.94,-5.889514736647859
Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1,C01180692_decoy,GCR,Decoy,0,-10.3047,-8.29,-1.33,-9.049861274449514
O=C1/C(=C\Nc2cc(C(F)(F)F)ccc2Cl)SC(=S)N1C[C@H]1CCCO1,C08836380_decoy,GCR,Decoy,0,-9.78437,-8.58,-1.9,-7.830077904604912
CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2cc(Br)ccc21,C09129131_decoy,GCR,Decoy,0,-10.3446,-7.59,-1.54,-8.851889521574265
C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21,C09129413_decoy,GCR,Decoy,0,-10.0748,-1.07,-1.73,-3.701731894700538
C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2cc(Cl)ccc21,C09129415_decoy,GCR,Decoy,0,-9.6033,-1.2,-0.71,-3.4957204405951265
CSc1ccccc1NC(=O)c1cccn(Cc2ccc(Br)cc2)c1=O,C09547826_decoy,GCR,Decoy,0,-8.50321,-5.44,-1.52,-7.653385168356889
C[C@H](C(=O)NCc1cccs1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O,C09692861_decoy,GCR,Decoy,0,-10.6322,-4.11,-2.12,-5.193876382792045
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(SC(F)F)cc1,C10236682_decoy,GCR,Decoy,0,-8.33458,-7.58,-4.59,-7.163622714113448
O=C(COC(=O)c1cccc(I)c1)N[C@H]1CCCc2ccccc21,C10716191_decoy,GCR,Decoy,0,-9.70562,-3.61,-2.69,-4.538521368087902
O=C(NC1CCN(C(=O)c2ccccc2SCc2ccsc2)CC1)c1ccccc1,C10782793_decoy,GCR,Decoy,0,-11.2303,-3.06,-2.78,-4.814738227561016
O=C(CSC(=S)N1CCCCC1)Nc1nc2ccc(Br)cc2s1,C12585254_decoy,GCR,Decoy,0,-11.5535,-5.0,-0.47,-5.920596119116544
CCN(C(C)=O)[C@@H](C(=O)Nc1ccc(Br)c(C)c1)c1ccc(F)c(F)c1,C14187976_decoy,GCR,Decoy,0,-9.64924,-3.26,-1.7,-4.423299460623026
Cc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)s2)cs1,C14198382_decoy,GCR,Decoy,0,-12.1415,-8.46,-1.23,-8.885299441758923
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)N4CCCC4)cc3[C@H]3C=CC[C@@H]32)cc1,C14462293_decoy,GCR,Decoy,0,-12.1604,14.32,-4.52,0.6680448005321378
O=C(N[C@@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl,C14598167_decoy,GCR,Decoy,0,-10.3857,-3.99,-2.57,-4.761265233536339
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H](c1ccccc1)c1cccs1,C14729748_decoy,GCR,Decoy,0,-7.33921,-4.94,-4.41,-4.37174754093428
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F,C15037721_decoy,GCR,Decoy,0,-10.8269,-9.19,-7.41,-10.201047767530705
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1,C15039368_decoy,GCR,Decoy,0,-8.84086,-9.35,-2.27,-8.39776477185791
C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)/C(=C/c2cccs2)SC1=S,C15046603_decoy,GCR,Decoy,0,-10.8294,-9.08,-43.31,-9.864805000484049
Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1N1CCCC1=O,C16105468_decoy,GCR,Decoy,0,-9.42816,-7.13,-1.96,-8.53950767000752
Cn1ccnc1[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)c1ccc(Cl)cc1,C16262732_decoy,GCR,Decoy,0,-10.0109,-7.32,-2.5,-7.884660035868063
COc1ccccc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1,C02906540_decoy,GCR,Decoy,0,-11.0954,-3.03,-2.87,-4.4455673105670845
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1,C01745697_decoy,GCR,Decoy,0,-12.2996,-4.37,-3.77,-5.1717904452626815
Cc1cccc(C)c1NC(=O)COC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1,C13028917_decoy,GCR,Decoy,0,-11.1738,-5.0,-2.04,-5.662074798894532
CSc1ccccc1C(=O)Nc1sc2c(c1C#N)CCN(Cc1ccccc1)C2,C22808503_decoy,GCR,Decoy,0,-10.305,-3.93,-2.44,-4.518342822446617
CC(=O)NCc1ccc(C(=O)COc2ccc(Br)cc2Br)s1,C24659599_decoy,GCR,Decoy,0,-10.6915,-7.5,-1.26,-7.755243006583026
O=C(NCCCSc1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1,C24729791_decoy,GCR,Decoy,0,-10.0882,-7.1,-1.31,-6.6390759558884405
Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Cc2ccc(Br)cc2)cc1,C30536476_decoy,GCR,Decoy,0,-10.0099,-4.89,-2.38,-4.809189290595964
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NC[C@H](c1cccs1)N(C)C,C32486018_decoy,GCR,Decoy,0,-9.37484,-7.71,-1.75,-12.950770312950922
O=C(CSC(=S)N1CCCCCC1)Nc1ccc(I)cn1,C32700296_decoy,GCR,Decoy,0,-10.4411,-6.32,-0.9,-8.626520504841334
CCSc1nnc(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)s1,C18255483_decoy,GCR,Decoy,0,-11.5987,-8.49,-0.96,-12.54559045616794
O=C(NCCCN1CCCCCC1=O)c1cc(Br)c(Br)s1,C32988739_decoy,GCR,Decoy,0,-10.4969,-6.83,-0.6,-8.456617372770255
CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2I)C1,C33220481_decoy,GCR,Decoy,0,-10.2941,-8.31,-1.91,-8.92406121768738
CCN(C(C)=O)c1nc(CNc2ccc(C)c(I)c2)cs1,C35041924_decoy,GCR,Decoy,0,-9.4669,-8.04,-4.1,-9.874978882362337
CCOC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccc(Br)cc2)C[C@@H]1C=C(Cl)Cl,C35327726_decoy,GCR,Decoy,0,-10.8245,-1.7,-0.85,-4.240325029835943
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1C[C@H](C)C[C@H](C)C1,C28199225_decoy,GCR,Decoy,0,-9.07326,-3.63,-3.42,-4.515300812250933
CCC[C@H](C)NC(=O)COC(=O)c1cc(Br)c(Br)s1,C03288441_decoy,GCR,Decoy,0,-9.79361,-6.36,-1.11,-13.809545313074958
CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1,C02264033_decoy,GCR,Decoy,0,-8.75589,-2.72,-4.5,-3.854388029134344
Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCOCC2)c1C,C38546698_decoy,GCR,Decoy,0,-9.65846,-2.21,-5.26,-3.946355471403811
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1,C38771158_decoy,GCR,Decoy,0,-9.3235,-8.04,-2.6,-8.593234713571869
C[C@H](S[C@H]1N=CC(c2ccc(Br)cc2)=N1)C(=O)NCc1cccs1,C39441584_decoy,GCR,Decoy,0,-11.554,-7.96,-1.18,-7.877948276728912
Cc1cc(Br)c(NC(=O)CO/N=C/c2cccs2)c(Br)c1,C36704180_decoy,GCR,Decoy,0,-10.9804,-7.79,-3.02,-9.574856808369438
O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)c1ccc(Br)cc1,C39703270_decoy,GCR,Decoy,0,-10.324,-4.64,-2.53,-4.7849225782572615
CC(C)Oc1c(Br)cc(Br)cc1CNCCN1CCOCC1,C40719649_decoy,GCR,Decoy,0,-10.2639,-6.72,-1.57,-12.068587191959974
COC(=O)C[C@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1cccs1,C45865358_decoy,GCR,Decoy,0,-10.63,-6.78,-2.31,-12.246688405886925
CCN1C[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)CC1=O,C59421522_decoy,GCR,Decoy,0,-8.56341,-3.39,-4.81,-3.80236068223996
CCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCc2sccc2C1,C60373206_decoy,GCR,Decoy,0,-10.5542,-3.61,-5.27,-4.85669867164944
O=C(Cc1csc(-c2cccnc2)n1)NC1(c2ccc(Br)cc2)CC1,C65540333_decoy,GCR,Decoy,0,-10.787,-4.35,-1.35,-5.229494820167144
CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1F,C02380208_decoy,GCR,Decoy,0,-9.15789,-3.73,-1.89,-4.727877278665105
CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(I)cc2)CC1,C03226769_decoy,GCR,Decoy,0,-10.9379,-6.05,-0.38,-6.346086661204439
CC(C)OC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(I)cc1,C03004050_decoy,GCR,Decoy,0,-8.63288,-3.46,-3.03,-4.417043780560048
C=CCOC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1Br,C02895432_decoy,GCR,Decoy,0,-6.65814,-7.05,-5.15,-5.00174395741781
CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)sc2c1,C03251340_decoy,GCR,Decoy,0,-9.6618,-5.45,-1.15,-5.0037153496050255
CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3Br)sc2c1,C03251199_decoy,GCR,Decoy,0,-10.6196,-5.44,-1.35,-6.199918759894259
Cc1ccc(C(C)C)c(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1,C02882668_decoy,GCR,Decoy,0,-10.9437,-7.4,-2.41,-10.06159759836169
O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2,C01076372_decoy,GCR,Decoy,0,-11.5879,-7.16,-2.97,-7.117800315459161
O=C(CSCC(=O)c1cc2cc(Br)ccc2o1)Nc1ccc(Cl)cc1,C09041284_decoy,GCR,Decoy,0,-11.264,-4.12,-5.36,-4.829931109465625
Cc1ccc(C)c(S(=O)(=O)[C@H](CNC(=O)/C=C/c2ccccc2)c2cccs2)c1,C09106473_decoy,GCR,Decoy,0,-8.52874,-6.35,-4.66,-6.606719334765955
C[C@H](NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1,C09647132_decoy,GCR,Decoy,0,-7.79835,-10.16,-1.55,-7.885433481634799
CCOC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCCC2,C09833762_decoy,GCR,Decoy,0,-11.0475,-7.04,-3.19,-8.943929207979187
CC(C)(C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)NC2=O)cc1,C12381735_decoy,GCR,Decoy,0,-11.4359,-7.4,-2.19,-13.04529711549156
Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)s2)cc1,C01365950_decoy,GCR,Decoy,0,-9.16609,-5.34,-3.31,-5.197684833279435
CSc1ccc(Cl)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1,C03219336_decoy,GCR,Decoy,0,-11.5401,-8.91,-1.57,-8.710662723606376
Cc1nc(SCC(=O)NCCc2cccs2)c2cc(-c3ccccc3)sc2n1,C13114228_decoy,GCR,Decoy,0,-11.3246,-8.26,-5.11,-9.441808628163612
O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1,C01333752_decoy,GCR,Decoy,0,-10.2016,-5.73,-4.72,-9.38131652012708
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2,C14549708_decoy,GCR,Decoy,0,-11.0793,-3.37,-4.71,-4.852859912795302
CC(C)(C)c1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1,C15857087_decoy,GCR,Decoy,0,-11.46,-7.06,-2.51,-8.351518798059892
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1,C16409549_decoy,GCR,Decoy,0,-8.54136,-5.23,-4.84,-6.3983283030654015
Cc1sc2ncnc(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)c2c1C,C18211268_decoy,GCR,Decoy,0,-10.1652,-7.89,-3.44,-10.882738662760724
CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccsc2)n1,C19201280_decoy,GCR,Decoy,0,-9.82969,-8.66,-1.9,-9.736270103089325
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1sccc1C)N2,C20687958_decoy,GCR,Decoy,0,-11.1986,-7.04,-9.94,-8.692658608969717
Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)c1C,C20954676_decoy,GCR,Decoy,0,-7.81589,-6.15,-8.21,-4.820964453300462
Cn1cccc1[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCc2ccccc2C1,C21151806_decoy,GCR,Decoy,0,-9.84658,-3.81,-1.34,-4.837397893374563
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](C(F)(F)F)C1,C21961180_decoy,GCR,Decoy,0,-9.02029,-2.99,-1.65,-4.378894357369435
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](C(F)(F)F)C1,C21961184_decoy,GCR,Decoy,0,-9.75914,-8.66,-1.99,-10.206435683411598
CCSc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1,C22041779_decoy,GCR,Decoy,0,-12.1222,-8.46,-3.5,-9.88560158973733
O=C(Nc1cccc2ccccc12)[C@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl,C01233722_decoy,GCR,Decoy,0,-11.1176,-5.36,-3.71,-5.704072116859629
C[C@H](NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(Br)cc1)c1ccc(F)cc1,C22717066_decoy,GCR,Decoy,0,-9.55586,-8.64,-1.4,-13.756125063837208
C[C@H](NC(=O)[C@@H](C)OC(=O)/C=C/c1cc(Br)ccc1F)c1ccc(F)cc1,C22717098_decoy,GCR,Decoy,0,-9.18208,-7.79,-1.74,-7.772932516408775
O=C(CSc1cccc2ccccc12)Nc1nnc(SCc2ccccc2)s1,C32696749_decoy,GCR,Decoy,0,-10.1844,-9.05,-2.23,-11.812126004374337
C=CCNC(=O)c1cc(-c2csc(-c3ccccc3)n2)n(Cc2cccs2)c1C,C33762932_decoy,GCR,Decoy,0,-10.8823,-7.67,-2.06,-10.165597428672465
CN(C(=O)/C(=C/c1ccccc1)c1ccccc1)[C@H](C(=O)NC(C)(C)C)c1ccccc1,C36523267_decoy,GCR,Decoy,0,-8.98741,-3.19,-2.28,-4.361335168959394
CCCCNC(=O)[C@H](c1ccccc1C)N(C)C(=O)Cc1ccc(Br)cc1,C36528353_decoy,GCR,Decoy,0,-9.2127,-6.83,-2.18,-10.179436909706748
C/C=C\[C@@H](C(=O)NC(C)(C)C)N(C(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C,C36590396_decoy,GCR,Decoy,0,-7.8535,4.91,-3.73,-1.0991206542185032
CC(C)Sc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1,C38631510_decoy,GCR,Decoy,0,-10.7985,-7.93,-2.66,-11.095417618109336
Cc1ccc(C2=C(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)SCCS2)cc1,C41002444_decoy,GCR,Decoy,0,-10.5306,1.08,-2.59,-3.651799496010592
CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)nc(C)c1C,C45772536_decoy,GCR,Decoy,0,-10.2618,-8.6,-2.78,-12.81326820196744
CCCC(=O)Nc1ccc(C(=O)COc2ccc(I)cc2)cc1,C21105915_decoy,GCR,Decoy,0,-8.45569,-7.99,-3.31,-7.077203251541964
CC(=O)Nc1ccc(SCCOC(=O)c2ccc(Br)cc2)cc1Cl,C57317863_decoy,GCR,Decoy,0,-10.8495,-7.92,-1.15,-7.721547863592808
C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NCCc1cccs1,C57780763_decoy,GCR,Decoy,0,-11.6505,-5.97,-4.53,-7.842801847717817
CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1,C58140098_decoy,GCR,Decoy,0,-10.4438,-8.22,-1.97,-9.400947877887567
CN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1ccc(-c2ccc(Br)cc2)s1,C26401941_decoy,GCR,Decoy,0,-10.8228,-2.23,-2.36,-3.9474115801956366
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)c2C)cc1,C58927505_decoy,GCR,Decoy,0,-11.345,-9.71,-1.97,-9.025252738629264
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)NC2CCCC2)cc1,C59245240_decoy,GCR,Decoy,0,-9.91739,-3.6,-1.8,-4.363711803860168
CCc1cccc(CC)c1NC(=O)c1ccc(COc2ccc(Br)cc2)o1,C59272041_decoy,GCR,Decoy,0,-8.92914,-8.01,-3.2,-9.15381654125514
CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccc(C)c(C)c3)C2=O)cc1,C59378343_decoy,GCR,Decoy,0,-9.23681,-2.07,-1.56,-3.624574266973372
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cccs1,C59445215_decoy,GCR,Decoy,0,-10.2127,-8.53,-1.65,-6.878493952466281
CCOc1cc(/C=C/C(=O)c2ccc(SC)c(OC)c2)cc(Br)c1O,C60245357_decoy,GCR,Decoy,0,-11.8744,-4.12,-2.57,-5.924248876333109
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(N)=S,C01048283_decoy,GCR,Decoy,0,-9.31596,-9.81,-1.24,-7.242401748889377
O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(I)cc1,C00881425_decoy,GCR,Decoy,0,-8.99183,-8.32,-0.77,-7.853777412995759
CC(C)(C)C(=O)NC(=S)Nc1ccc(I)cc1Cl,C04695601_decoy,GCR,Decoy,0,-8.91119,-7.28,-2.95,-7.787513236103324
FC(F)Oc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1,C05689561_decoy,GCR,Decoy,0,-8.16973,-4.62,-0.82,-4.591817607078216
C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Br)cc1,C08086609_decoy,GCR,Decoy,0,-9.7666,-3.57,-3.14,-4.482679964729591
NC(=O)[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccccc1,C10206064_decoy,GCR,Decoy,0,-10.7241,-8.23,-1.36,-9.432119944182212
O=C(NC1CC1)[C@@H](Nc1cccc(I)c1)c1ccc(F)cc1,C11155402_decoy,GCR,Decoy,0,-9.06206,-3.46,-3.51,-4.187256434887929
Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1C,C12620502_decoy,GCR,Decoy,0,-10.0255,-9.16,-3.02,-10.056743899800187
CCN(C(=O)c1cccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21)c1ccccc1,C13638069_decoy,GCR,Decoy,0,-10.6747,-3.39,-3.42,-4.555320780721591
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@H]21,C14546819_decoy,GCR,Decoy,0,-10.531,-5.32,-3.2,-5.3240089041085366
CC(C)(C)NC(=O)CNC(=O)c1cc(Br)c(Br)s1,C15175863_decoy,GCR,Decoy,0,-9.51278,-6.95,-1.78,-13.727984775071205
Cc1ccc([C@H]2Nc3ccc(C(=O)NC[C@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]23)s1,C20689872_decoy,GCR,Decoy,0,-11.5882,-4.32,-2.26,-5.401325483587474
O=C(NC[C@@H]1CCCO1)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21,C20698834_decoy,GCR,Decoy,0,-6.54293,-4.57,-3.28,-3.67491766987162
C=CCNC(=O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21,C20712415_decoy,GCR,Decoy,0,-11.171,-3.14,-4.31,-4.361241240087423
CCCOc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccccc1,C20929794_decoy,GCR,Decoy,0,-9.97211,-7.3,-5.39,-12.104213633044196
NC1=C(C(=O)c2cccs2)[C@H]2C=CC=CC2=C1c1nc(-c2ccccc2)cs1,C23643313_decoy,GCR,Decoy,0,-11.0945,-10.49,-0.98,-15.319120396338096
Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H]1CCSc2ccc(Cl)cc21,C25996066_decoy,GCR,Decoy,0,-11.2439,-8.21,-2.86,-8.031343193367936
CC[C@@H](C)N(CC)S(=O)(=O)c1c(Br)cc(N)cc1Br,C37112323_decoy,GCR,Decoy,0,-9.35776,-5.87,-2.06,-7.922193733070082
CC[C@H](C)CN(C)S(=O)(=O)c1c(N)cc(Br)cc1Br,C37172457_decoy,GCR,Decoy,0,-9.08908,-6.66,-0.98,-10.509652501834786
CC[C@@H](C)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br,C37172458_decoy,GCR,Decoy,0,-8.95187,-6.48,-1.07,-13.96185135870194
Brc1ccc(NCc2c[nH]nc2-c2cccnc2)c(Br)c1,C37278856_decoy,GCR,Decoy,0,-8.87091,-8.27,-3.14,-10.985486586439803
C[C@H](Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(I)cc1,C37302049_decoy,GCR,Decoy,0,-8.82113,-8.81,-1.24,-13.218163733465056
C[C@H]([NH2+][C@@H](CC(=O)[O-])c1cccs1)c1ccc(I)cc1,C37304984_decoy,GCR,Decoy,0,-9.456,-6.7,-1.51,-11.231917056190383
O[C@@H](CNc1cccc(I)c1)COc1ccc(Cl)cc1,C37856953_decoy,GCR,Decoy,0,-9.84708,-8.31,-0.86,-7.170804850079962
O[C@H](CNc1ccc(I)cc1)COc1cccc(Cl)c1,C37884800_decoy,GCR,Decoy,0,-8.53971,-6.92,-0.61,-7.810053356922644
O[C@@H](CNc1cccc(I)c1)COc1cccc(Cl)c1,C37884946_decoy,GCR,Decoy,0,-9.04833,-8.46,-0.88,-8.517923716998977
C[C@@H]1CCCC[C@H]1OC[C@H](O)CNc1cccc(I)c1,C37884954_decoy,GCR,Decoy,0,-8.85005,-8.15,-1.24,-6.854284968515274
C[C@@H]1CCC[C@H](OC[C@H](O)CNc2cccc(I)c2)C1,C37884966_decoy,GCR,Decoy,0,-9.72403,-8.12,-1.99,-7.898850233035637
C[C@@H]1CCC[C@H](OC[C@H](O)CNc2ccccc2I)C1,C37885121_decoy,GCR,Decoy,0,-9.43695,-7.55,-1.92,-11.010747338220126
CC[NH+]1C(SCC(=O)Nc2c(C)cccc2C)=c2cc(C)sc2=N[C@@H]1C,C38805753_decoy,GCR,Decoy,0,-10.787,-8.24,-0.96,-10.7895378122871
CCCc1ccc([C@@H](CNBr)N2CCN[C@H](Br)C2)cc1,C39533057_decoy,GCR,Decoy,0,-10.4592,-7.09,-2.58,-10.06034601182516
CC(C)Cc1ccc([C@@H](CNI)N2CCN[C@H](F)C2)cc1,C39533446_decoy,GCR,Decoy,0,-9.60145,-7.44,-2.34,-11.29955631436622
ClNC[C@H](c1ccc(-c2ccccc2)cc1)N1CCN[C@H](Br)C1,C39533810_decoy,GCR,Decoy,0,-9.2991,-9.57,-1.21,-13.30120918392146
CCN(Cc1ccc(Br)s1)S(=O)(=O)c1c(C)cccc1N,C40346736_decoy,GCR,Decoy,0,-8.50271,-7.62,-2.0,-8.127845306304451
C[C@@H](Oc1ccccc1N)C(=O)c1ccc(Br)cc1Br,C40352907_decoy,GCR,Decoy,0,-8.51582,-3.88,-1.26,-4.0598106339610665
C[C@@H](Nc1ccc(Br)cc1Br)C(=O)NC1CCCC1,C42304905_decoy,GCR,Decoy,0,-8.77609,-7.28,-0.81,-11.230535833063604
CCC(CC)NC(=O)C(=O)Nc1ccc(Br)cc1Br,C48494952_decoy,GCR,Decoy,0,-8.93892,-4.54,-0.58,-6.615646713229726
CCC[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1Br,C48495569_decoy,GCR,Decoy,0,-8.50886,-6.85,-2.01,-10.636319495460222
N#Cc1ccc([C@H](O)CNc2cc(Br)ccc2Br)cc1,C49118881_decoy,GCR,Decoy,0,-8.92629,-4.06,-1.31,-3.818830091165996
C[C@H](Nc1cc(Br)ccc1Br)C(=O)NC1CCCC1,C49119185_decoy,GCR,Decoy,0,-8.9698,-8.22,-1.13,-11.652626169588787
O=C(NCCc1cc(Br)ccc1F)c1cc(Br)c[nH]1,C49180221_decoy,GCR,Decoy,0,-8.58058,-3.23,-1.34,-3.782513362777587
O=C(Nc1ccc(I)cc1Cl)NC(C1CC1)C1CC1,C49263049_decoy,GCR,Decoy,0,-9.21229,-6.21,-1.3,-8.402113475166935
O=S(=O)(C[C@@H]1CCCC[NH2+]1)[N-]c1cc(Br)ccc1Br,C49631384_decoy,GCR,Decoy,0,-10.0182,-6.84,-3.84,-9.85725567037531
CCCNc1cc(C(=O)Nc2cc(Br)ccc2Br)ccn1,C50785988_decoy,GCR,Decoy,0,-10.046,-8.3,-4.99,-8.700154854979413
O=C(CNC(=O)c1ccsc1)NC1(c2cccc(Br)c2)CCC1,C51418853_decoy,GCR,Decoy,0,-9.85783,-6.91,-1.07,-8.790176832923372
C[C@H]1CCC[C@](CO)(NS(=O)(=O)c2ccc(I)cc2)C1,C53109189_decoy,GCR,Decoy,0,-8.97677,-3.93,-1.26,-4.158466796051868
COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc(SC(F)F)cc1,C20835298_decoy,GCR,Decoy,0,-9.87997,-7.68,-2.86,-12.310917857070802
O=C(CNc1cc(Br)ccc1Br)NC1CCOCC1,C62768666_decoy,GCR,Decoy,0,-8.95619,-7.38,-1.0,-11.0010018770091
C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccc(F)c(Cl)c1,C67434136_decoy,GCR,Decoy,0,-9.49709,-6.43,-1.77,-6.401569595571707
O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1C[C@@H]1c1cccc(F)c1,C67594124_decoy,GCR,Decoy,0,-10.7402,-4.34,-1.1,-6.427550639033517
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1,C03437938_decoy,GCR,Decoy,0,-10.0654,-2.53,-3.94,-4.105504081603804
C[C@@H]1Cc2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2N1C(=O)C1CC1,C06866360_decoy,GCR,Decoy,0,-10.7762,-3.69,-2.59,-5.006775977049306
C[C@@H](NC(=O)COC(=O)c1cncc(Br)c1)C12CC3CC(CC(C3)C1)C2,C06916589_decoy,GCR,Decoy,0,-10.6117,-8.89,-1.06,-11.204563479440692
CCc1cccc(CC)c1NC(=O)[C@@H](C)n1cnc2scc(-c3ccccc3)c2c1=O,C08895025_decoy,GCR,Decoy,0,-11.3638,-4.04,-1.25,-5.694930941288178
CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1,C01127823_decoy,GCR,Decoy,0,-9.87462,-4.09,-5.03,-6.060258849542138
CCOc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)c3ccc(Br)cc3)S2)cc1,C09244445_decoy,GCR,Decoy,0,-10.0747,-4.04,-3.3,-5.5748223347559245
CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O,C09358002_decoy,GCR,Decoy,0,-9.45275,-5.75,-3.51,-5.73226646006907
O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCC1)NC1CC1,C09384729_decoy,GCR,Decoy,0,-9.85925,-4.65,-5.83,-5.384003057664991
O=C(CSc1nc2ccsc2c(=O)n1-c1ccccc1)NCc1ccccc1Cl,C03059314_decoy,GCR,Decoy,0,-10.288,-6.87,-1.99,-6.055445344602196
COc1ccc(OCC(=O)N/N=C(/C)c2ccc(C)cc2)c(I)c1,C09948548_decoy,GCR,Decoy,0,-9.00974,-8.49,-3.4,-10.231437995477394
CCn1c(SCC(=O)NCc2cccs2)nc2sc3c(c2c1=O)CC[C@H](C)C3,C10440153_decoy,GCR,Decoy,0,-11.5578,-8.96,-6.13,-8.72365043579573
O=C(NN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)c1ccc(OC(F)F)cc1,C01255245_decoy,GCR,Decoy,0,-9.96621,-2.33,-0.79,-4.251884150673063
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1Cl,C12269459_decoy,GCR,Decoy,0,-10.1952,-3.66,-4.89,-4.908255199794042
O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1csc(-c2ccccc2Cl)n1,C12425751_decoy,GCR,Decoy,0,-10.0749,-4.4,-1.69,-4.650715714584589
CCSc1nc(-c2ccccc2)c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1,C12891405_decoy,GCR,Decoy,0,-12.0502,-10.36,-3.42,-10.985150970909388
C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1,C12550159_decoy,GCR,Decoy,0,-9.25146,-9.3,-1.87,-13.699005264405434
C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(-n2ccnc2)cc1,C12550160_decoy,GCR,Decoy,0,-9.84207,-6.9,-1.22,-8.339748340832667
O=C1CCCN1CCCNc1ncnc2scc(-c3ccc(Br)cc3)c12,C13135124_decoy,GCR,Decoy,0,-10.6108,-3.29,-1.27,-4.526006440398793
O=C(CSCc1ccccc1Br)N/N=C/c1cccc2c1OCCO2,C13389592_decoy,GCR,Decoy,0,-9.52629,-7.84,-3.42,-6.899061015291916
O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)s2)o1,C13667244_decoy,GCR,Decoy,0,-10.9895,-4.55,-2.05,-5.176681449173116
O=C(CSCc1ccc(Cl)s1)Nc1ccc2nc(N3CCOCC3)sc2c1,C14233549_decoy,GCR,Decoy,0,-12.1549,-7.66,-1.53,-8.696240091868066
CCN(CC)c1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)C)cc3[C@H]3C=CC[C@H]32)cc1,C14461657_decoy,GCR,Decoy,0,-11.6831,-2.97,-1.0,-4.308298873335093
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2)c1,C16273238_decoy,GCR,Decoy,0,-11.0046,-4.76,-5.38,-5.328274559911828
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2ccc(Br)cc2c1=O,C21134884_decoy,GCR,Decoy,0,-8.82705,-7.9,-1.2,-7.393146074300695
CCCCNC(=O)Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccccc3)c12,C21353503_decoy,GCR,Decoy,0,-9.54261,-3.03,-3.49,-4.151727826284852
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)c1ccccc1F,C23543637_decoy,GCR,Decoy,0,-10.2251,-10.2,-2.35,-16.342628824285057
O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(OC(F)F)cc2)s1,C24355847_decoy,GCR,Decoy,0,-9.69918,-4.11,-3.87,-4.365925784268144
Cn1c(-c2ccccc2)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c2ccccc21,C12814446_decoy,GCR,Decoy,0,-11.2701,-4.01,-2.97,-5.09687802898108
Cc1ccc([C@@H](NC(=O)CSc2nc3ccsc3c(=O)n2C)c2cccs2)cc1,C26109914_decoy,GCR,Decoy,0,-11.2753,-7.29,-1.28,-9.162686899820242
O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(OC(F)(F)F)cc1,C28381692_decoy,GCR,Decoy,0,-10.0616,-4.12,-1.25,-5.16718534274863
Cc1sc2ncn(CCC(=O)N[C@H](c3ccccc3)c3cccs3)c(=O)c2c1C,C32870707_decoy,GCR,Decoy,0,-9.32291,-4.73,-1.68,-5.175443252534373
CC[C@H](C(=O)NCc1cccs1)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21,C33251197_decoy,GCR,Decoy,0,-9.44027,-5.27,-3.87,-5.372248995159421
C=CCN1CN=C(Sc2ccc(Br)cc2)N=C1C(=O)Nc1ccccc1,C35682622_decoy,GCR,Decoy,0,-8.7312,-4.24,-3.69,-5.607844432315555
CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1,C36628332_decoy,GCR,Decoy,0,-10.5049,-7.76,-4.61,-8.044022056242314
Cc1ccc([C@H]2c3cc(O[C@H](C)C(=O)NC(C)C)ccc3CCN2C(=O)C2CC2)cc1,C37280974_decoy,GCR,Decoy,0,-10.4241,-3.12,-4.81,-4.54749549997185
S=C(NC[C@H]1CCCO1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,C04967146_decoy,GCR,Decoy,0,-11.0672,-3.36,-4.19,-4.735297597527282
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1,C07814248_decoy,GCR,Decoy,0,-10.687,-4.38,-4.99,-5.236904032510632
COc1ccc(Br)c(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)c1,C38631546_decoy,GCR,Decoy,0,-10.3717,-3.1,-4.11,-4.485640035802317
O=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc2c(c1)CCCC2,C38632683_decoy,GCR,Decoy,0,-11.8534,-3.69,-1.99,-4.883076703391019
CCCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1,C40940350_decoy,GCR,Decoy,0,-10.1948,-3.65,-1.35,-4.945865111287873
O=C(CSc1cc(N2CCCCC2)ncn1)Nc1cc(C(F)(F)F)ccc1Cl,C44112030_decoy,GCR,Decoy,0,-10.0699,-9.89,-3.76,-14.222222995141724
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)Nc1ccc(CN2C(=O)CCC2=O)cc1,C46570095_decoy,GCR,Decoy,0,-9.67711,-5.15,-6.51,-5.173689163492769
O=C(NCCc1csc2nc(-c3cccc(F)c3)nn12)C1(c2ccc(F)cc2)CC1,C49504965_decoy,GCR,Decoy,0,-10.6469,-9.39,-0.99,-14.433333272976384
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1)Nc1cccc(F)c1,C57417098_decoy,GCR,Decoy,0,-10.6446,-9.07,-3.61,-9.115997677568997
CCCS(=O)(=O)NC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1,C27053653_decoy,GCR,Decoy,0,-11.4011,11.08,-2.24,-0.1444782420146465
C[C@H]1CN([C@@H](CNC(=O)/C=C/c2ccc(C#N)cc2)c2c(F)cccc2Cl)CCO1,C58951557_decoy,GCR,Decoy,0,-9.23801,-6.76,-2.51,-6.7584519860751495
COc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)C(C)C)cc1,C59289651_decoy,GCR,Decoy,0,-10.4017,-2.05,-2.26,-4.220773184313792
O=C1Cc2cc(S(=O)(=O)N(CCc3ccccc3)c3ccccc3)c(Cl)cc2N1,C60269953_decoy,GCR,Decoy,0,-8.94498,-7.56,-4.06,-10.502245976895658
Cc1cc(C)cc(NC(=O)Cc2csc(-c3cccc(CN4CCOCC4)c3)n2)c1,C62041089_decoy,GCR,Decoy,0,-11.3603,-8.98,-2.68,-8.657998471882227
CCc1ccc([C@@H](C)NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1,C65196297_decoy,GCR,Decoy,0,-11.6198,-5.26,-0.49,-6.219301464527192
Cc1ccc(CN2C(=O)[C@@H]([C@H](C)C(=O)NC[C@@H]3CCCO3)Sc3ccccc32)cc1,C06771781_decoy,GCR,Decoy,0,-8.71943,-3.02,-4.26,-3.871960382261419
CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3CC)CC2=O)cc1,C01072480_decoy,GCR,Decoy,0,-9.72141,-8.4,-1.94,-8.402482898402162
Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NCC(=O)N(C)C)c2c1C,C09252956_decoy,GCR,Decoy,0,-10.8355,-6.85,-8.14,-9.24235392847834
Cc1nc(-c2ccc(CNC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)s2)cs1,C09494833_decoy,GCR,Decoy,0,-11.93,-2.92,-1.94,-4.873217291617532
CC(=O)C[C@@]1(O)C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(Br)cc21,C09872929_decoy,GCR,Decoy,0,-10.4665,-6.26,-1.93,-10.228673847545746
O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2,C11967164_decoy,GCR,Decoy,0,-11.9638,-5.0,-2.19,-6.40604292783505
O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CCN(C(=O)CC1=CCCCC1)CC2,C11967181_decoy,GCR,Decoy,0,-12.481,-4.44,-3.35,-5.591509129532582
Cc1cc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccccc3F)c(=O)[nH]c2cc1C,C00914929_decoy,GCR,Decoy,0,-10.4574,-3.83,-2.43,-4.833606357367894
Cn1ccnc1[C@H](NC(=O)COc1ccc(Br)cc1F)c1ccc(Cl)cc1,C12506975_decoy,GCR,Decoy,0,-9.76163,-7.59,-1.78,-9.043730641536785
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)c3ccccc23)c1C,C02810549_decoy,GCR,Decoy,0,-11.4135,-7.34,-4.35,-7.712122429973828
C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc(F)c(F)c1,C15695663_decoy,GCR,Decoy,0,-8.66939,-4.26,-3.23,-4.216152281182573
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ccc(Br)cc1C,C15735670_decoy,GCR,Decoy,0,-9.9803,-7.43,-2.72,-8.045547270551548
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)[C@@H](Sc1ccccc1)c1ccccc1,C16400295_decoy,GCR,Decoy,0,-10.0777,-4.21,-4.26,-5.361468289166603
O=C(CCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1,C16713009_decoy,GCR,Decoy,0,-9.95834,-9.88,-2.5,-8.184441711836177
Cc1nc(O)c(CC[S@@+]([O-])Cc2cccc3ccccc23)c(/C=C/c2ccco2)n1,C16856322_decoy,GCR,Decoy,0,-10.8812,-7.99,-4.66,-8.694264005042914
CSc1ccc(CN(C)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1,C17793442_decoy,GCR,Decoy,0,-10.9915,-4.43,-2.05,-5.121588550102513
Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1,C18236997_decoy,GCR,Decoy,0,-10.3899,-4.38,,99.0
O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1,C20528754_decoy,GCR,Decoy,0,-11.0557,-3.65,-2.01,-4.696904085093308
CCC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C21335901_decoy,GCR,Decoy,0,-10.992,-7.71,-3.38,-9.771809761089155
O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CSCN1C(=O)C1CCCCC1,C21714066_decoy,GCR,Decoy,0,-11.1462,-7.56,-2.88,-8.540532438368325
Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)c(Br)c1,C23057988_decoy,GCR,Decoy,0,-10.5472,-7.29,-1.32,-13.947578868558445
Cc1sc2nc(S[C@@H](C)C(=O)NCC(F)(F)F)n(C3CCCC3)c(=O)c2c1C,C23565444_decoy,GCR,Decoy,0,-8.92818,-4.64,-1.03,-5.008455360270553
Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN(CCO)CC3)c2c1C,C23956271_decoy,GCR,Decoy,0,-8.90623,-2.8,-2.1,-3.560244381140932
Cc1ccc(N2CCN(C[C@H](O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1,C28297201_decoy,GCR,Decoy,0,-8.53157,-4.96,-3.62,-4.400228867382978
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H](c1ccccc1F)c1nccn1C,C32939601_decoy,GCR,Decoy,0,-9.60802,-3.27,-5.1,-4.306495311673251
CCONC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2,C35955313_decoy,GCR,Decoy,0,-8.60748,-9.21,-3.84,-15.97534545267013
O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O,C36488126_decoy,GCR,Decoy,0,-10.6409,-6.53,-1.35,-7.038208104985318
COC(=O)[C@@H](c1ccc(OC)cc1)[C@H]1C=C[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1,C37341383_decoy,GCR,Decoy,0,-9.87575,-10.0,-2.75,-9.940496697856943
Cc1ccc(C)c(NC(=O)CSc2cn(CC(=O)N3CCCC3)c3ccccc23)c1,C06867163_decoy,GCR,Decoy,0,-10.1506,-9.04,-0.74,-9.94964597200106
CCn1c(C(=O)N2CCC[C@H](C(=O)NCCc3ccc(C)cc3)C2)cc2sccc21,C04119167_decoy,GCR,Decoy,0,-11.1263,-7.2,-3.33,-9.651856968253082
CCSc1ccc(Cc2nnc(NC(=O)c3ccc(Br)s3)o2)cc1,C36659553_decoy,GCR,Decoy,0,-9.94138,33.4,-2.47,8.125849359894131
CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1,C36628438_decoy,GCR,Decoy,0,-10.57,-7.26,-3.49,-10.741872654353816
CC1=C2C(=O)N=C(CS[C@@H](C)C(=O)N[C@@H](C)c3ccccc3Cl)N=C2S[C@H]1C,C39431212_decoy,GCR,Decoy,0,-9.78442,-5.28,,99.0
O=S(=O)(NC[C@@H](c1cccnc1)N1CCc2ccccc21)c1ccc(Br)cc1,C39703279_decoy,GCR,Decoy,0,-11.1036,-5.22,-1.74,-5.725740130828863
CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1,C40940275_decoy,GCR,Decoy,0,-10.8236,6.51,-2.79,-1.7344591738549382
O=C(Cc1cccs1)N1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1,C43958937_decoy,GCR,Decoy,0,-11.2862,-9.05,-2.28,-9.50969132640289
CC[C@@H](NC(=O)CCc1c(C)nc2cc(C)nn2c1C)c1ccc(Br)cc1,C46655705_decoy,GCR,Decoy,0,-10.3901,-8.77,-2.92,-8.55467892855814
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)/C=C/c2ccsc2)cc1,C49486997_decoy,GCR,Decoy,0,-10.7582,-7.19,-1.31,-7.806203685775615
Cc1nn(C)cc1CN1CCOc2ccc([C@H](O)C(c3ccccc3)c3ccccc3)cc2C1,C15004159_decoy,GCR,Decoy,0,-12.0496,-4.26,-3.31,-5.583579343721325
O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1F,C38597503_decoy,GCR,Decoy,0,-9.7893,-4.12,-2.7,-4.662721260075379
O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC#Cc1cccc(C(F)(F)F)c1,C24449282_decoy,GCR,Decoy,0,-10.4851,-4.74,-2.38,-5.227055672817527
N#CCC(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1,C59140460_decoy,GCR,Decoy,0,-10.682,-9.15,-0.99,-9.238720066700914
CCOc1c(I)cc(/C=N/NC(=O)c2cccs2)cc1OC,C14134796_decoy,GCR,Decoy,0,-10.5733,-6.59,-1.53,-7.887324663258637
C#CCOc1c(I)cc(/C=N/NC(=O)c2cccs2)cc1OC,C59197861_decoy,GCR,Decoy,0,-11.1476,-7.81,-1.88,-14.202672171123456
CCOc1cccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1,C60184254_decoy,GCR,Decoy,0,-9.20289,-7.67,-2.76,-8.875853679422985
O=C(NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1,C60322852_decoy,GCR,Decoy,0,-10.1407,-7.78,-1.9,-8.764011548066104
O=C(Cc1ccc(Cl)cc1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O,C60391848_decoy,GCR,Decoy,0,-10.1049,-4.81,-3.79,-4.886286686662776
CC1=C2C(=O)N=C([C@H](C)SCCC(=O)Nc3cccc(Cl)c3)N=C2S[C@@H]1C,C64064431_decoy,GCR,Decoy,0,-10.2913,-5.3,-1.96,-4.910595212010471
O=C(Cc1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)s1,C26148645_decoy,GCR,Decoy,0,-10.5629,-5.98,-2.27,-8.25786078238415
O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1,C65180110_decoy,GCR,Decoy,0,-10.9277,-2.46,-4.99,-4.290497302652545
OCc1cc(OCc2ccccc2)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2,C03122424_decoy,GCR,Decoy,0,-8.9303,-3.48,-2.96,-4.139749845731272
Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1,C03295832_decoy,GCR,Decoy,0,-11.0147,-8.27,-2.27,-7.693973957744376
Cc1ccc(N[C@@H](c2ccc(OC(F)F)cc2)n2nc(C)c(Br)c2C)cc1,C02732100_decoy,GCR,Decoy,0,-8.84712,-3.46,-2.38,-4.24556598730766
CC(C)c1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1,C05033101_decoy,GCR,Decoy,0,-9.5621,-4.0,-2.09,-4.66481657973126
O=P(Nc1ccccc1F)(Oc1ccccc1Cl)Oc1ccccc1Cl,C03177113_decoy,GCR,Decoy,0,-8.59346,-8.33,-3.17,-10.998993723818067
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1ccc(F)cc1,C01945959_decoy,GCR,Decoy,0,-9.65971,2.03,-1.74,-2.7446072132707435
CCOC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CC[C@@H](CC)C2,C02105104_decoy,GCR,Decoy,0,-11.7008,-2.19,-5.25,-4.709207858434636
O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1,C00900416_decoy,GCR,Decoy,0,-10.565,-7.94,-3.96,-8.36928107015652
OCCCn1c(-c2ccc(Cl)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12,C09060329_decoy,GCR,Decoy,0,-10.0359,-3.45,-1.97,-4.607424211462447
Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Sc4ccc(C)cc4C)cc3)CC2=O)cc1,C02623465_decoy,GCR,Decoy,0,-10.4192,-5.02,-2.97,-6.419533309501506
Cc1cc(C)c(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(C)c1,C12619567_decoy,GCR,Decoy,0,-9.04191,-4.01,-4.54,-4.320617974220805
CCCOC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1,C12655736_decoy,GCR,Decoy,0,-6.4367,-4.22,-2.23,-3.3705548314628486
CCCOC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1cccc(Br)c1,C12658857_decoy,GCR,Decoy,0,-6.30647,-8.53,-1.8,-5.214460051107563
CC(C)(C)c1cc(CCC(=O)N2CCC[C@@H]2c2ccncc2)cc(C(C)(C)C)c1O,C12515907_decoy,GCR,Decoy,0,-10.1793,-4.11,-4.41,-4.852354731301152
Cn1c(SCc2ccc(F)cc2)nc2ccc(C(=O)NCCC3=CCCCC3)cc21,C06748613_decoy,GCR,Decoy,0,-11.3129,-4.0,-1.94,-4.983363090649688
CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(F)c2F)c(Br)c1,C14017952_decoy,GCR,Decoy,0,-9.65198,-7.61,-1.05,-6.687170987995349
C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F,C14419937_decoy,GCR,Decoy,0,-8.65466,-8.75,-0.81,-11.714202408612543
CC(C)c1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br,C01215988_decoy,GCR,Decoy,0,-9.77674,-8.88,-1.98,-8.838138030405068
CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br,C01215985_decoy,GCR,Decoy,0,-10.5718,-9.12,-1.42,-9.45779406723657
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1,C16031648_decoy,GCR,Decoy,0,-6.7056,-3.51,-2.63,-3.421011630228416
CC(=O)Oc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc2)cc1,C03414147_decoy,GCR,Decoy,0,-11.3883,-2.85,-0.84,-4.507149944326798
CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O,C16707594_decoy,GCR,Decoy,0,-9.80944,-5.11,-2.36,-5.113698408294655
C=CCn1cc(/C=N/c2sccc2C(=O)Nc2ccc(Cl)cc2)c2ccccc21,C17092041_decoy,GCR,Decoy,0,-4.97256,-8.86,-3.6,-4.666844571186653
Fc1ccc([C@@H](NCCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1,C20988473_decoy,GCR,Decoy,0,-9.73817,-9.02,-2.57,-13.917337564111838
O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1,C34711879_decoy,GCR,Decoy,0,-11.095,-8.84,-3.43,-8.347178170718333
O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1C[C@H]1c1ccccc1,C35563827_decoy,GCR,Decoy,0,-12.1655,-5.26,-4.64,-6.297684336955987
C=CCOc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1OCC,C36245346_decoy,GCR,Decoy,0,-10.6234,-4.76,-2.47,-5.905706208356436
C/C=C\[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccc1)c1cccc(Cl)c1,C36551138_decoy,GCR,Decoy,0,-10.2021,-2.68,-1.89,-3.872908980311512
CCCN(C(=O)C#Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1,C36570575_decoy,GCR,Decoy,0,-11.002,-4.63,-3.68,-5.545591090749753
CC(C)(C)CC(C)(C)NC(=O)[C@H](c1c(Cl)cccc1Cl)N(C=O)C(C)(C)C,C36585645_decoy,GCR,Decoy,0,-9.38785,-4.14,-2.6,-4.942183250823351
CC(C)=CC(=O)N([C@@H](C(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1)C(C)(C)C,C36589135_decoy,GCR,Decoy,0,-4.32925,-2.89,-2.43,-2.559628134201864
CC(C)(C)NC(=O)[C@@H](c1cc2ccccc2c2ccccc12)N(C(=O)CCl)C(C)(C)C,C36590018_decoy,GCR,Decoy,0,-10.0444,-2.88,-2.45,-4.5374979390667765
CC[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2,C36747875_decoy,GCR,Decoy,0,-11.3418,-1.07,-3.21,-4.615664013720067
O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1cccs1,C08673958_decoy,GCR,Decoy,0,-12.0335,-4.14,-3.26,-5.352597784905858
Fc1ccccc1[C@H](NCCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1,C20178354_decoy,GCR,Decoy,0,-9.43566,-9.34,-3.37,-9.865768716155753
O=C(COc1ccc2c(c1)CCC2)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1,C39856522_decoy,GCR,Decoy,0,-12.0197,-4.46,-4.91,-5.190175985332229
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1C,C40948943_decoy,GCR,Decoy,0,-10.0916,-3.17,-1.64,-4.748762216146304
CC(C)[C@H](C)NC(=O)c1ccc(CSc2ccc(-c3ccc(F)cc3)nn2)cc1,C04422760_decoy,GCR,Decoy,0,-10.8251,-4.93,-4.55,-6.410101054989043
CSc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12,C45282523_decoy,GCR,Decoy,0,-10.3861,-11.02,-2.49,-10.296713858066338
CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(Br)ccc1O,C01926054_decoy,GCR,Decoy,0,-10.3525,-3.28,-2.13,-4.4291414359200845
CCc1ccccc1NC(=O)CN(C)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2,C58210145_decoy,GCR,Decoy,0,-11.4601,-3.04,-4.12,-4.931447438331032
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1Cl,C28216722_decoy,GCR,Decoy,0,-11.0146,-9.01,-4.86,-9.6877128194595
C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1F,C58964945_decoy,GCR,Decoy,0,-9.87093,-9.41,-2.52,-10.277747298558504
O=C(CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1,C06282478_decoy,GCR,Decoy,0,-9.0778,-7.97,-2.59,-7.583311072135385
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1,C06853619_decoy,GCR,Decoy,0,-10.2792,-7.64,-4.02,-8.921877092896642
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1,C59245268_decoy,GCR,Decoy,0,-9.25126,11.88,-2.56,1.2146519531110886
O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NC1CCCCC1,C59462479_decoy,GCR,Decoy,0,-11.286,-3.69,-3.33,-4.4766460008402245
CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1,C59888291_decoy,GCR,Decoy,0,-10.1604,-7.84,-2.92,-11.630089868329687
Cc1ccn2c(CC(=O)NCCc3ccc(F)cc3)c(-c3ccc(C)c(C)c3)nc2c1,C62049345_decoy,GCR,Decoy,0,-8.48085,-4.27,-4.2,-4.383002804279415
C[C@H](CNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12)c1ccccc1,C64676180_decoy,GCR,Decoy,0,-10.962,-4.07,-1.72,-5.4017084286832455
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2F)cc1,C02957970_decoy,GCR,Decoy,0,-10.1668,-9.3,-2.4,-10.426438783699991
CCSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2,C04911416_decoy,GCR,Decoy,0,-11.2966,-3.93,-2.88,-5.207248738119335
O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc2ccccc2c1,C03222383_decoy,GCR,Decoy,0,-10.9378,-9.14,-4.37,-8.542575001742588
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1,C05330386_decoy,GCR,Decoy,0,-9.56839,-6.25,-3.89,-6.012238066496057
CCOc1ccc2nc(SCC(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@H]3C4)sc2c1,C03236963_decoy,GCR,Decoy,0,-9.84264,-7.78,-1.13,-9.749787306268896
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1Cl,C07007693_decoy,GCR,Decoy,0,-9.55876,-9.11,-2.13,-9.088799864904232
O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1nc(-c2cc(F)ccc2F)cs1,C07779765_decoy,GCR,Decoy,0,-10.9945,-3.88,,99.0
CC(C)[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2,C07781384_decoy,GCR,Decoy,0,-8.95959,-3.26,-1.43,-3.949312602384046
O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc2ccccc12,C01150935_decoy,GCR,Decoy,0,-10.59,-5.82,-3.22,-5.3854938224108535
O=C(/C=C/c1ccco1)Nc1ncc(Cc2ccc(SC(F)F)cc2)s1,C02297057_decoy,GCR,Decoy,0,-9.62847,-5.03,-4.61,-6.032872416485151
CCOC(=O)c1c(NC(=O)[C@H](C)SC2CCCCC2)sc2c1CCCC2,C04263103_decoy,GCR,Decoy,0,-11.0059,-4.55,-4.49,-5.634723409108308
CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1,C09708225_decoy,GCR,Decoy,0,-9.89866,-8.19,-3.23,-12.2094640153376
O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(OCC(F)(F)F)cc1,C10979200_decoy,GCR,Decoy,0,-9.57356,5.32,-1.23,-1.8406098671214592
O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCCc1cccs1,C12779249_decoy,GCR,Decoy,0,-10.5346,-2.98,-1.68,-4.718425253709172
C[C@H](NC(=O)/C=C/c1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1,C12522298_decoy,GCR,Decoy,0,-10.1562,-9.77,-4.75,-16.238547795847296
CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(OCc2cscn2)c1,C12977223_decoy,GCR,Decoy,0,-10.3657,-7.49,-3.21,-10.07560366647238
CC(C)CNC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccccc12,C13137838_decoy,GCR,Decoy,0,-10.3476,-6.19,-4.68,-9.091985612765331
O[C@@H](c1ccccc1)c1nc2ccccc2n1CCCOc1ccccc1Cl,C13541157_decoy,GCR,Decoy,0,-10.1132,-4.92,-2.8,-5.090335162011903
O[C@@H](COc1ccccc1)Cn1c(Cc2ccccc2Cl)nc2ccccc21,C15860782_decoy,GCR,Decoy,0,-9.45745,-4.4,-2.84,-4.697957856218375
N#C/C(=C\c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)NCc1cccs1,C17090515_decoy,GCR,Decoy,0,-10.6368,-8.78,-4.83,-10.60809707452613
Cc1ccc([C@@H](NC(=O)CSc2nc3ccccc3n2C)c2cccs2)cc1,C17653300_decoy,GCR,Decoy,0,-10.2341,-7.13,-2.04,-8.377682101838214
Clc1cccc(CCNCc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)c1,C19740571_decoy,GCR,Decoy,0,-10.4331,-6.55,-1.49,-6.322501500660664
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](OC)[C@]21C,C20550704_decoy,GCR,Decoy,0,-11.1572,-10.22,-2.04,-10.722474951905598
Cc1ccc(/C=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)o1,C21321486_decoy,GCR,Decoy,0,-9.65445,-4.72,-2.11,-5.295724404284228
C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)c(Cl)c1,C22276986_decoy,GCR,Decoy,0,-8.92635,-8.76,-1.56,-10.335903845728764
O=C(CS/C(=N/c1ccccc1)N1CCCC1)Nc1cc(Cl)ccc1Cl,C32692260_decoy,GCR,Decoy,0,-9.91849,-8.63,-3.5,-10.060891674062995
CCOc1ccc(CCNC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1,C20986109_decoy,GCR,Decoy,0,-11.1649,-2.24,-1.36,-4.364234071296661
CC(C)=CC(=O)N(C)[C@@H](C(=O)NC(C)(C)C)C(c1ccccc1)c1ccccc1,C36535120_decoy,GCR,Decoy,0,-8.48336,-3.69,-3.81,-4.349554163050074
CCCN(C(=O)C1CCCCC1)[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1,C36560702_decoy,GCR,Decoy,0,-8.65023,-3.94,-2.72,-4.627369794772254
C/C=C/[C@H](C(=O)NC(C)(C)C)N(C(=O)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)C(C)(C)C,C36581498_decoy,GCR,Decoy,0,-8.55424,-8.56,-3.84,-5.318816079633838
O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(OC[C@@H]2CCCO2)cc1,C36795800_decoy,GCR,Decoy,0,-9.99231,-8.45,-1.33,-14.57875685905203
CSc1nnc(S[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)s1,C36812092_decoy,GCR,Decoy,0,-10.2705,-4.28,-1.62,-5.217783379602924
COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](OC)[C@]21C,C37536175_decoy,GCR,Decoy,0,-11.5444,-9.69,-1.3,-17.82896071038652
CCOC(=O)c1c(NC(=O)c2cccs2)sc(CC)c1-c1cccs1,C01061047_decoy,GCR,Decoy,0,-10.8208,-2.33,-1.7,-4.40244251493362
C[C@H](NC(=O)[C@@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc(F)cc1,C39542509_decoy,GCR,Decoy,0,-10.0598,-8.57,-4.19,-9.567385820597844
O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12)Oc1ccccc1,C39852786_decoy,GCR,Decoy,0,-9.19154,-7.79,-1.72,-8.212514012314076
C#CCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21,C40203316_decoy,GCR,Decoy,0,-9.03307,-5.2,-0.94,-4.837700030135643
CCCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(SC)cc1,C40337061_decoy,GCR,Decoy,0,-8.72045,-1.67,-1.45,-3.6782709978996486
C[C@H](OC(=O)/C=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F,C45481321_decoy,GCR,Decoy,0,-11.4566,-7.59,-0.92,-9.817439553515571
C[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccc(OC(F)(F)F)cc1,C46644990_decoy,GCR,Decoy,0,-8.78533,-8.67,-3.38,-8.997432158119073
C[C@H]1[C@@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCC[C@@H]1C,C04863718_decoy,GCR,Decoy,0,-10.6696,-8.08,-1.75,-8.788463419790657
O=C(NCCC1=CCCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2,C03645567_decoy,GCR,Decoy,0,-10.9159,-4.35,-4.17,-5.426375467628634
CC(C)c1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1,C06933570_decoy,GCR,Decoy,0,-10.2397,-6.86,-5.37,-11.404870632270724
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2ccccc2)c1C,C28216182_decoy,GCR,Decoy,0,-9.87975,-5.38,-2.0,-6.014286394822024
CCc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1,C58934660_decoy,GCR,Decoy,0,-9.07198,-8.91,-4.61,-7.934736092065743
COc1ccc(O)c(/C=N/c2ccccc2OC(F)(F)[C@H](F)C(F)(F)F)c1,C59379141_decoy,GCR,Decoy,0,-8.15134,-8.77,-1.35,-7.01658858329578
O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1C[C@H]1c1cccc(Br)c1,C60355424_decoy,GCR,Decoy,0,-9.14367,-3.93,-5.31,-4.320813026823414
COc1ccc([C@H](NCc2csc(-c3ccco3)n2)c2ccc(F)cc2)cc1,C62258652_decoy,GCR,Decoy,0,-8.77785,-3.4,-1.95,-4.132696710420158
CCCCSC1=NN[C@@H](C2=CC3=C(C)C(C)=N[C@H]3C=C2)N1Cc1ccccc1,C63730174_decoy,GCR,Decoy,0,-10.3403,-3.18,-3.07,-4.37224941614523
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1Cl,C64985319_decoy,GCR,Decoy,0,-10.0617,18.92,-1.57,4.187157717288853
COC(=O)c1c(NC(=O)COc2ccc(Br)cc2)sc2c1CC[C@@H](C)C2,C00729923_decoy,GCR,Decoy,0,-10.9533,-6.5,-0.98,-8.316957367158105
COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Br)c2)sc2c1CCCC2,C01783211_decoy,GCR,Decoy,0,-10.5245,-6.98,-1.38,-8.870936287299214
CC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccc2c(c1)OCO2,C00953196_decoy,GCR,Decoy,0,-10.2197,-8.75,-3.03,-9.264981091178702
C[C@H]1CCc2nc(NC(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)sc2C1,C02782305_decoy,GCR,Decoy,0,-10.8421,-4.73,-1.6,-5.311065297046189
CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1N1CCOCC1,C01340040_decoy,GCR,Decoy,0,-9.04049,-6.95,-2.04,-7.943814462017772
CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1N1CCOCC1,C04849301_decoy,GCR,Decoy,0,-8.768,-3.77,-3.5,-4.162785202301468
CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccc(Cl)cc2c1=O,C09091559_decoy,GCR,Decoy,0,-9.0187,-7.22,-3.41,-8.057752185771493
CSc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1C,C09532114_decoy,GCR,Decoy,0,-9.74316,-9.67,-2.81,-10.037291395847877
Cn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccc(Cl)cc1,C02523603_decoy,GCR,Decoy,0,-11.2341,-6.51,-2.58,-7.181126116181532
CNC(=O)CN(C)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3,C09578817_decoy,GCR,Decoy,0,-11.8875,-8.16,-3.23,-11.918455797594454
COc1cc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1,C09876755_decoy,GCR,Decoy,0,-10.7705,-8.77,-6.72,-9.062600993830747
N#Cc1c(NC(=O)COC(=O)Cc2c(F)cccc2Cl)sc2c1CCCCC2,C11028409_decoy,GCR,Decoy,0,-10.829,-4.22,-1.71,-4.934428947734926
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2ccsc2c1=O,C11271106_decoy,GCR,Decoy,0,-11.151,-7.87,-2.7,-9.43742007307644
CCOc1c(Br)cc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1OC,C11766577_decoy,GCR,Decoy,0,-11.18,-0.22,-0.88,-4.535861079109043
Cn1c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)nnc1-c1ccccc1F,C12723971_decoy,GCR,Decoy,0,-10.0047,-10.19,-2.57,-10.058625463201254
Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2C)cc1,C06044468_decoy,GCR,Decoy,0,-11.3495,-8.79,-2.78,-8.692106378317717
O=C(c1ccc(COc2ccccc2Cl)cc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F,C13958075_decoy,GCR,Decoy,0,-7.50081,-8.29,-2.87,-7.451928189738876
C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O,C15231239_decoy,GCR,Decoy,0,-9.16654,-7.58,-5.28,-8.369081049563041
CC(=O)N(c1nc(/C=C/C(=O)N[C@@H](C)c2cc(C)ccc2C)cs1)c1ccccc1F,C15693336_decoy,GCR,Decoy,0,-9.95818,-7.88,-4.0,-10.48609967162218
CC[C@H](C)c1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1,C15790491_decoy,GCR,Decoy,0,-9.17081,-4.77,-1.42,-5.278535620371489
O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ncc(C(F)(F)F)cc1Cl,C03451847_decoy,GCR,Decoy,0,-10.4084,-4.48,-0.99,-5.252608530053768
CCCNC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(Cl)cc1,C16835105_decoy,GCR,Decoy,0,-11.08,-4.02,-2.87,-5.445616134503847
Cc1ccc(C)c(NC(=O)CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)c1,C17264018_decoy,GCR,Decoy,0,-8.68553,-4.4,-3.05,-4.480120249599632
Cc1oc(-c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)nc1COc1ccccc1,C20560105_decoy,GCR,Decoy,0,-12.0403,-5.12,-3.37,-5.265279998222129
O=C(CSc1nnc2n1CCCCC2)N[C@H](c1ccccc1)c1ccc(Cl)cc1,C21250919_decoy,GCR,Decoy,0,-9.11639,-3.3,-2.07,-4.16122099090542
COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2Br)cc1,C21491955_decoy,GCR,Decoy,0,-9.23298,-8.21,-1.14,-11.139579799127906
CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cc(F)cc(F)c1,C21892409_decoy,GCR,Decoy,0,-10.2364,-6.48,-2.93,-8.434151968445732
CCOC(=O)c1c(C)n(C2CCCCC2)c2cc(Br)c([O-])c(C[NH+](C)C)c12,C01443863_decoy,GCR,Decoy,0,-9.73153,-3.2,-2.81,-4.2946289043394135
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCC#Cc1ccccc1,C25162794_decoy,GCR,Decoy,0,-8.90601,-6.6,-2.5,-6.412260819997092
Cc1ccc(C(C)C)c(OCC(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)c1,C32100902_decoy,GCR,Decoy,0,-8.6222,-5.73,-3.25,-5.008788735123532
O=C(Cc1ccccc1Cl)N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1,C33266256_decoy,GCR,Decoy,0,-9.58649,-3.81,-3.76,-4.706713731419608
O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1,C34733867_decoy,GCR,Decoy,0,-10.716,-4.86,-4.54,-5.058108033160767
CCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl,C35144991_decoy,GCR,Decoy,0,-9.83221,-4.59,-1.93,-5.11864360844627
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N[C@H](C)c1ccccc1,C22052665_decoy,GCR,Decoy,0,-5.85408,-3.46,-3.55,-3.0248449095948446
Cc1nnc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n1C1CCCCC1,C12045494_decoy,GCR,Decoy,0,-9.97548,-8.47,-1.7,-8.999921009623195
CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)C1CCCC1)CC2,C37281102_decoy,GCR,Decoy,0,-10.5563,-2.78,-3.39,-4.714442560232526
Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1,C08596045_decoy,GCR,Decoy,0,-10.0917,-11.16,-1.72,-15.03895671206545
CCc1n[nH]c(Sc2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)n1,C12929893_decoy,GCR,Decoy,0,-11.0921,-9.23,-2.14,-9.031086744143172
C[C@@H]1SC2=NC(SCCC(=O)Nc3ccccc3)=NC(=O)C2=C1c1ccccc1,C38780252_decoy,GCR,Decoy,0,-11.2624,-8.89,-0.92,-12.410864561752796
N#Cc1c(SCCCn2c(=O)[nH]c3ccccc32)nc2c(c1C(F)F)CCCCC2,C39327375_decoy,GCR,Decoy,0,-8.78695,-5.2,-3.76,-4.758005627308405
CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccccc3SC)cc2c1,C46058426_decoy,GCR,Decoy,0,-10.1648,-7.0,-2.89,-7.867910224720919
COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3ccc(Cl)s3)s2)cc1OC,C46879770_decoy,GCR,Decoy,0,-10.0478,-7.55,-2.76,-7.569681319626519
Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCc4cccs4)C3)nn2)cc1C,C48990708_decoy,GCR,Decoy,0,-12.3306,-3.14,-6.06,-4.969866241199765
Cc1cc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1,C49006990_decoy,GCR,Decoy,0,-10.3645,-6.04,-3.78,-6.605912828417804
CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)c2sc(C)nc12,C13973717_decoy,GCR,Decoy,0,-11.3768,-8.92,-4.09,-11.87676212108252
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl,C59269673_decoy,GCR,Decoy,0,-9.56048,-3.88,-4.63,-4.593654083285986
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)Nc1cc(Cl)cc(Cl)c1,C59269720_decoy,GCR,Decoy,0,-10.2773,-3.16,-4.55,-4.393689215776016
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC,C16408576_decoy,GCR,Decoy,0,-9.86846,-3.72,-1.7,-4.3456802474278895
CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1,C60267814_decoy,GCR,Decoy,0,-11.6428,-3.19,-3.97,-5.283044658185918
CCc1ccccc1S(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2,C65003730_decoy,GCR,Decoy,0,-9.52028,-4.2,-4.49,-4.515817107380541
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12,C03146752_decoy,GCR,Decoy,0,-9.26188,-3.5,-3.38,-4.378005305963011
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(F)c(F)c2)[nH]c2c1CCCCC2,C02227153_decoy,GCR,Decoy,0,-10.5763,-5.42,-1.43,-6.534982103047347
Cc1ccc(-c2nnc(SCC(=O)Nc3c(C(C)C)cccc3C(C)C)n2N)cc1,C05021537_decoy,GCR,Decoy,0,-9.28962,-5.21,-3.66,-5.494215707162571
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2Br)n1N,C09092430_decoy,GCR,Decoy,0,-10.6827,-5.58,-1.37,-7.6410355851311
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccccc1Cl,C09235463_decoy,GCR,Decoy,0,-10.0483,-4.18,-4.12,-4.699000596405906
Cc1c(CC(=O)NCC(c2ccccc2)c2ccccc2)c(=O)oc2cc(O)cc(O)c12,C09348700_decoy,GCR,Decoy,0,-10.3887,-4.89,-2.46,-5.307542855247829
NC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1,C09497801_decoy,GCR,Decoy,0,-10.5416,-4.72,-1.32,-5.388996076021523
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccccc3Br)sc2n1,C10644937_decoy,GCR,Decoy,0,-9.64071,-4.37,-1.45,-5.001620440809623
C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)C(=O)NCc1ccc(F)cc1,C11020872_decoy,GCR,Decoy,0,-10.4472,-8.89,-1.81,-13.126764819567772
C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)C(=O)NCc1ccc(F)cc1,C11020873_decoy,GCR,Decoy,0,-9.87871,-4.68,-3.19,-5.061895828683911
Nn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1cccs1,C11591847_decoy,GCR,Decoy,0,-11.2652,-9.03,-2.48,-12.956884725526995
COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2,C12977200_decoy,GCR,Decoy,0,-12.1074,-2.53,-2.85,-4.804317581062518
Cc1ccc(-c2c(C)sc3nc(CNc4cccc(C(=O)NC5CC5)c4)[nH]c(=O)c23)cc1,C12528549_decoy,GCR,Decoy,0,-11.462,-5.14,-3.96,-5.350985225130517
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2Cl)cc1Br,C13976923_decoy,GCR,Decoy,0,-10.18,-8.32,-1.81,-8.425691698012118
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1,C13998091_decoy,GCR,Decoy,0,-12.3421,-6.39,-1.95,-7.617870706159323
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1,C14138956_decoy,GCR,Decoy,0,-10.2187,-4.85,-3.14,-5.056916418429112
O=C(NC(=S)NNc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)cc1Cl,C03176641_decoy,GCR,Decoy,0,-10.695,-9.65,-2.15,-9.833670210639523
Cc1cc(S(N)(=O)=O)cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1C,C16222837_decoy,GCR,Decoy,0,-12.4374,-9.58,-2.4,-10.720010099225004
Cc1ccc(-c2c(C(=O)NNC(=S)Nc3ccc4c(c3)OCO4)csc2C)cc1,C17094512_decoy,GCR,Decoy,0,-10.0861,-10.19,-3.78,-5.215064980745329
CCN(CC)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3[nH]nc(O)c32)cc1,C18196493_decoy,GCR,Decoy,0,-7.25324,-2.78,-3.47,-2.8838709480647435
Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1C,C21180522_decoy,GCR,Decoy,0,-13.3959,-8.67,-0.82,-9.64870996705973
C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccc(C(N)=O)cc1,C21227650_decoy,GCR,Decoy,0,-11.4554,-4.76,-1.64,-5.248981436010685
Cc1ccc(OCC(=O)NC(=S)NNC(=O)C2CCCCC2)c(Br)c1,C12571147_decoy,GCR,Decoy,0,-10.9705,-7.98,-0.87,-8.487670896062168
Cc1cc(Br)ccc1OCC(=O)NNC(=S)NC(=O)C1CCCCC1,C12571961_decoy,GCR,Decoy,0,-10.3437,-7.28,-2.47,-8.723061842260114
CCOc1ccc(C(=O)NC(=S)NNC(=O)C2CCCCC2)cc1Br,C14770999_decoy,GCR,Decoy,0,-11.1569,-7.89,-1.61,-7.949763527215688
CC1=C(C(N)=O)[C@@H](c2ccccc2F)n2nc(SCc3ccccc3Cl)nc2N1,C00958562_decoy,GCR,Decoy,0,-10.3321,-7.5,-1.69,-8.562076451968439
C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,C36640289_decoy,GCR,Decoy,0,-9.86221,-7.87,-0.88,-8.531095721757973
CCCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccs2)cc1,C39850360_decoy,GCR,Decoy,0,-8.89705,-3.95,-1.25,-4.568857690436349
O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1ccc(OC(F)F)cc1,C40134542_decoy,GCR,Decoy,0,-9.99204,-8.93,-2.43,-7.783646328250269
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2,C40948925_decoy,GCR,Decoy,0,-10.7706,-3.85,-5.09,-4.914026860582184
CC(C)[C@H](NC(=O)CSc1nnc(-c2ccccc2Br)n1N)c1ccccc1,C45633007_decoy,GCR,Decoy,0,-9.53509,-8.41,-1.65,-12.357809279255983
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1cccc(NC(=O)c2cccs2)c1,C45778247_decoy,GCR,Decoy,0,-11.6623,-4.2,-2.26,-5.85753761396207
CSc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)cc1,C09124403_decoy,GCR,Decoy,0,-10.297,-2.48,-3.01,-4.053963303108871
N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1,C01190646_decoy,GCR,Decoy,0,-12.2743,-3.48,-2.58,-5.444435587554609
O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)NCc1cc2cc(Cl)ccc2[nH]1,C55576293_decoy,GCR,Decoy,0,-10.8573,-2.84,-0.95,-4.539496206373952
Nn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccc(Br)cc1,C59045213_decoy,GCR,Decoy,0,-11.7355,-4.42,-1.44,-5.009297150567019
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1F,C59045280_decoy,GCR,Decoy,0,-11.1834,-9.22,-1.09,-8.218305333997867
Nc1nc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cs1,C59644912_decoy,GCR,Decoy,0,-10.7465,-10.1,-2.57,-15.13475763187336
Cc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]c2c1C(=O)CCC2,C59887852_decoy,GCR,Decoy,0,-7.67529,6.57,-2.99,-0.3522178329481669
CCC[C@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1,C60091679_decoy,GCR,Decoy,0,-12.3643,-10.03,-4.01,-9.924587117207784
NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3nc(-c4ccc(F)c(Cl)c4)cs3)cc2)C1,C60270487_decoy,GCR,Decoy,0,-13.5898,-4.13,-2.65,-5.510521279923387
Cc1cc(C)c2c(=O)cc(CSC3=NN[C@H](NC(=O)c4cccs4)S3)[nH]c2c1,C63686506_decoy,GCR,Decoy,0,-12.8764,-4.01,-1.61,-5.54774057622199
Cc1cc(C)c2c(=O)cc(CSC3=NN[C@@H](NC(=O)c4cccs4)S3)[nH]c2c1,C63686507_decoy,GCR,Decoy,0,-12.9739,-6.04,-3.58,-7.346310559533398
Cc1cccc(OC[C@@H]2NN[C@H](SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)N2C)c1,C63686562_decoy,GCR,Decoy,0,-10.0243,-6.55,-2.8,-6.911564455681211
C[C@@H]1O[C@@H](c2cccs2)N/C1=C\C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1,C64190875_decoy,GCR,Decoy,0,-9.57287,-5.42,-4.35,-5.24332712540385
CCOc1ccc(S(=O)(=O)NNC(=S)Nc2ccc(Br)cc2)cc1,C13153195_decoy,GCR,Decoy,0,-10.9856,-7.05,-1.28,-6.7560406443359575
O=C(CNc1cccc(C(=O)NC[C@@H]2CCCO2)c1)Nc1ccc(Cl)cc1Cl,C66086865_decoy,GCR,Decoy,0,-10.558,-8.37,-1.52,-7.689108680478017
O=C(CNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)Nc1cccc(Cl)c1Cl,C66089528_decoy,GCR,Decoy,0,-9.95091,-6.95,-2.33,-6.795963418158835
O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1,C66210253_decoy,GCR,Decoy,0,-10.9449,-7.02,-2.26,-7.611686709816596
O=C(CNc1cc(Cl)ccc1Cl)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1,C66224763_decoy,GCR,Decoy,0,-10.4696,-7.44,-2.69,-7.920063623279164
O=C1CC[C@]2(c3ccc(Cl)c(Cl)c3)O[C@H](COc3ccc(Cl)cc3)CN12,C03824778_decoy,GCR,Decoy,0,-9.99364,-3.98,-1.3,-4.206289463980686
CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(Cl)cc4)c(C)s3)C(=O)[C@H]12,C04178796_decoy,GCR,Decoy,0,-11.8631,-1.81,-4.52,-3.986700383120992
Clc1ccc(-c2csc3ncnc(Oc4cccc5cccnc45)c23)cc1,C04184225_decoy,GCR,Decoy,0,-10.0591,-3.96,-0.94,-4.3469248029708485
O=C1c2ccccc2C(=O)N1c1ncc(Cc2ccc(Br)cc2)s1,C01205106_decoy,GCR,Decoy,0,-9.16626,-4.95,-0.81,-4.345060138474748
CC1CCN(C(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)CC1,C01378860_decoy,GCR,Decoy,0,-10.7877,-5.04,-4.24,-5.475894929389191
O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1,C04224170_decoy,GCR,Decoy,0,-10.3272,-4.47,-2.19,-4.958735578663884
O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CCC2)c1cccs1,C01036081_decoy,GCR,Decoy,0,-9.55102,-3.46,-3.68,-4.0167193680039
O=[N+]([O-])c1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1,C04390346_decoy,GCR,Decoy,0,-10.0234,-8.53,-1.67,-8.05200177691591
CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3,C01843403_decoy,GCR,Decoy,0,-10.584,-2.84,-1.41,-3.985184630616484
Clc1cccc(Cl)c1CSc1ccc(-c2ccc3c(c2)OCCO3)nn1,C04966247_decoy,GCR,Decoy,0,-9.90494,-4.8,-1.26,-4.788445210801482
Cc1ccc(SCC(=O)N2CCN(c3nc4cc(C)c(C)cc4s3)CC2)cc1,C05299369_decoy,GCR,Decoy,0,-11.1395,-3.66,-1.84,-4.585527884189759
C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1nccs1,C05517624_decoy,GCR,Decoy,0,-10.3406,-3.4,-3.07,-4.4189771999229865
Brc1ccccc1-c1nnc(CSc2nc3ccccc3s2)o1,C03397585_decoy,GCR,Decoy,0,-9.38868,-4.06,-0.93,-4.143117304792376
O=[N+]([O-])c1ccc([C@@H]2N(c3ccc(Br)cc3)C2(Cl)Cl)cc1,C04455898_decoy,GCR,Decoy,0,-8.85012,-6.44,-1.44,-7.414199547455113
Cc1ccccc1/N=C1\SCCCN1C(=O)COc1c(C)cc(Cl)cc1C,C03409268_decoy,GCR,Decoy,0,-9.07907,-3.85,-3.83,-4.152388609378885
O=C(CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc2c(c1)CCCC2,C06099252_decoy,GCR,Decoy,0,-9.83523,-8.38,-2.5,-7.993352904740705
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)N1CCc2ccccc21,C06170936_decoy,GCR,Decoy,0,-10.2663,-5.54,-1.07,-5.421549166126093
O=S(=O)(c1ccccc1)n1c(/C=C/c2ccccc2Cl)nc2ccccc21,C04669900_decoy,GCR,Decoy,0,-9.71407,-9.77,-3.69,-10.325072547243968
Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Br)cc3)c(Cl)cc12,C06365729_decoy,GCR,Decoy,0,-9.87711,-8.98,-0.54,-7.674941413641308
C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)N1CCCCCC1,C07297218_decoy,GCR,Decoy,0,-10.805,-3.98,-2.72,-4.882011997074695
O=C(c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1,C07670543_decoy,GCR,Decoy,0,-10.4975,-3.86,-4.16,-4.742149816186075
CC1=NC2=C(C(=O)CCC2)[C@H](c2ccc(Br)cc2)C1C(=O)OC(C)C,C00847260_decoy,GCR,Decoy,0,-9.98688,-4.12,-0.76,-4.488191953088325
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2S[C@H](C)C#N)cc1,C08750841_decoy,GCR,Decoy,0,-10.4283,-2.24,-1.94,-3.948087923062431
CC1=NC2=C(C(=O)CCC2)[C@@H](c2ccccc2F)C1C(=O)OC1CCCCCC1,C00781615_decoy,GCR,Decoy,0,-9.06814,-3.57,-2.19,-3.880536779694877
CCc1ccc2nc(N3CCN(C(=O)Cc4ccc(Cl)s4)CC3)sc2c1,C10061298_decoy,GCR,Decoy,0,-11.2511,-2.89,-1.25,-4.838228519930798
Cc1cc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)cc3)nc2c1,C11140577_decoy,GCR,Decoy,0,-8.95155,-3.23,-2.33,-3.8098152425047513
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/c2nc3ccccc3s2)cs1,C12745448_decoy,GCR,Decoy,0,-10.6721,-4.42,-2.41,-5.103165765225827
CC(=O)N(c1nc(/C=C/c2nc3ccccc3s2)cs1)c1c(C)cccc1C,C13002241_decoy,GCR,Decoy,0,-10.1802,-4.86,-1.53,-5.11026531982812
COCCn1/c(=N/C(=O)c2ccc(Br)s2)sc2ccccc21,C13625699_decoy,GCR,Decoy,0,-10.6895,-2.62,-1.2,-4.469657495613005
O=C(c1cc(Cl)cc(Cl)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1,C14499012_decoy,GCR,Decoy,0,-9.69742,-8.06,-3.96,-8.292096542763165
Cc1cccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1,C16310836_decoy,GCR,Decoy,0,-10.1527,-3.65,-2.32,-4.148185510517465
Cc1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])c(Br)c1,C20021818_decoy,GCR,Decoy,0,-7.78491,-7.27,-0.53,-6.4460392932203
Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1,C22515525_decoy,GCR,Decoy,0,-6.57624,-3.94,-4.47,-2.935246450584644
CC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1C,C24458031_decoy,GCR,Decoy,0,-9.48615,-3.07,-3.98,-4.018274351574886
N#Cc1ccc(-n2c(SCc3cccc(F)c3F)nc3ccccc3c2=O)cc1,C24719895_decoy,GCR,Decoy,0,-9.04358,-3.75,-3.3,-4.226978519350192
Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(C)sc2n1,C28162743_decoy,GCR,Decoy,0,-10.1179,-2.86,-4.09,-4.0244851290239545
O=c1c2ccccc2nc(SCc2cccc3cccnc23)n1-c1ccccc1,C29868569_decoy,GCR,Decoy,0,-7.30357,-6.1,-2.5,-4.213901022441435
Cc1cc(C)n(-c2nc(SCc3ccccc3)c3c4c(sc3n2)CCC4)n1,C34787734_decoy,GCR,Decoy,0,-9.80492,-4.8,-4.26,-4.82783089659274
O=C1/C(=C/c2ccc3noc(-c4ccccc4)c3c2)SC(=S)N1C1CCCCC1,C35518777_decoy,GCR,Decoy,0,-13.1782,-3.07,-2.48,-4.699433465993122
O=C(CN1CCN(c2nc3ccccc3s2)CC1)c1ccc2ccccc2c1,C36006874_decoy,GCR,Decoy,0,-9.55704,-3.65,-2.02,-4.232001619137863
FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1,C05778537_decoy,GCR,Decoy,0,-8.17694,-3.87,-0.93,-3.8378524137285215
CC1=C2C(=O)N=C(SCC(=O)c3ccc(Cl)cc3Cl)N=C2S[C@H]1C,C38747382_decoy,GCR,Decoy,0,-10.3265,-2.82,-2.83,-4.184927412020882
O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CN1C1CCCC1,C40183193_decoy,GCR,Decoy,0,-5.92199,-3.6,-3.42,-2.7024365739018084
Brc1cccc(Br)c1OCc1nc(-c2cccs2)no1,C49373488_decoy,GCR,Decoy,0,-10.389,-7.71,-0.74,-13.467161167087909
Clc1cccc(-n2cnnc2SCc2ccc(Cl)c3cccnc23)c1,C31651524_decoy,GCR,Decoy,0,-8.81151,-9.14,-1.48,-8.872591492133278
CC(C)Oc1ccc(/C=C2\N=C(c3cccc(Br)c3)N(C)C2=O)cc1,C59229515_decoy,GCR,Decoy,0,-10.2019,-2.19,-3.14,-3.6477918223535295
Clc1cc(Cl)cc(OCc2nnc(-c3cccc(Br)c3)o2)c1,C60203702_decoy,GCR,Decoy,0,-10.7015,-8.48,-0.86,-9.65090103330348
COc1ccc(-c2csc3nc(C)nc(N4c5ccccc5C[C@@H]4C)c23)cc1,C62041399_decoy,GCR,Decoy,0,-10.1251,-1.65,-2.34,-3.4291256159749115
C[C@H](Cl)C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O,C41356765_decoy,GCR,Decoy,0,-10.1831,-7.08,-2.18,-7.957984839460235
Cc1cc2c(c3c1C(=O)/C(=C/c1cccs1)O3)CN(CCc1cccs1)CO2,C41645266_decoy,GCR,Decoy,0,-11.1975,-4.12,-2.95,-4.904050326835485
Cc1cc(Br)c(OCC(=O)N/N=C/c2ccc(Br)o2)c(Br)c1,C00704744_decoy,GCR,Decoy,0,-10.1296,-7.67,-2.2,-10.145750817719648
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)Nc1ccccc1F,C02507003_decoy,GCR,Decoy,0,-7.93087,-4.22,-3.73,-3.6028081895021216
O=C(N/N=C/c1ccc(F)cc1)c1nn(Cc2ccc(Br)cc2)cc1Br,C01089242_decoy,GCR,Decoy,0,-10.1679,-8.59,-1.57,-9.073731603583523
Oc1c(Br)cc(/C=N/n2cnnc2SCc2ccccc2Cl)cc1Br,C08790601_decoy,GCR,Decoy,0,-12.5885,-8.73,-2.04,-8.891857453908438
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)Nc1ccc(Cl)cc1,C01781324_decoy,GCR,Decoy,0,-9.55301,-2.29,-3.48,-3.642934879655277
CC[C@H](Sc1nc2sc3c(c2c(=O)n1C)CCCC3)C(=O)Nc1ccc(Br)cc1,C02326235_decoy,GCR,Decoy,0,-10.1743,-6.39,-3.28,-8.111946367709866
O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1,C09095283_decoy,GCR,Decoy,0,-9.5139,-3.87,-0.94,-4.360676234627889
CCOc1cc(Br)c(Br)c(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)c1O,C09246678_decoy,GCR,Decoy,0,-12.6235,-3.4,-3.15,-4.962161044362122
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(=O)[C@@H]32)cc1,C09015019_decoy,GCR,Decoy,0,-11.6709,-3.64,-4.13,-5.040638231338443
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc(Cl)cc1,C09015260_decoy,GCR,Decoy,0,-8.41519,-7.14,-4.56,-5.159121168285181
CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nc2sc3c(c2c1=O)CCCC3,C02386764_decoy,GCR,Decoy,0,-12.1594,-4.53,-1.89,-5.36264298105695
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)Nc1ccc(F)cc1F,C02386940_decoy,GCR,Decoy,0,-9.08196,-4.06,-4.65,-4.507618753139673
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1cccc(Br)c1,C02260951_decoy,GCR,Decoy,0,-11.2589,-3.99,-2.83,-4.920468574502181
Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)cc1,C02908827_decoy,GCR,Decoy,0,-10.0234,-5.08,-2.55,-5.057572217997859
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1,C09548866_decoy,GCR,Decoy,0,-10.7271,-2.56,-4.38,-4.2253158056071545
N#Cc1ccc(/C=N/NC(=O)COc2ccc3cc(Br)ccc3c2Br)cc1,C12491288_decoy,GCR,Decoy,0,-10.7906,-7.29,-0.87,-7.375986058201978
C[C@H]1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)c(C(F)(F)F)c2C1,C00663900_decoy,GCR,Decoy,0,-8.96931,-3.93,-2.67,-4.188023375377228
O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cc(Cl)ccc1N1CCOCC1,C12553752_decoy,GCR,Decoy,0,-11.2264,-8.11,-2.01,-9.375839858557375
Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc23)c(OC(F)F)c1,C06431169_decoy,GCR,Decoy,0,-10.1733,-6.46,-4.34,-5.737538264626743
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc(Br)s3)C2=O)cc1C,C13112725_decoy,GCR,Decoy,0,-11.9954,-5.78,-2.69,-6.0845002615420345
N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1,C02308257_decoy,GCR,Decoy,0,-10.7749,-6.78,-1.73,-7.691429646096403
CC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c(ccc4ccccc34)N12,C09089695_decoy,GCR,Decoy,0,-9.90497,-6.66,-1.89,-5.209744441066598
CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nc2sc3c(c2c1=O)CCCC3,C02373812_decoy,GCR,Decoy,0,-7.56302,-4.05,-2.37,-3.420787358881043
O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1,C13677694_decoy,GCR,Decoy,0,-11.4594,-4.13,-1.63,-5.318494682297904
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCC3)Nc1ccc(F)c(F)c1,C02259446_decoy,GCR,Decoy,0,-7.52102,-4.38,-1.61,-3.743273142365148
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)S/C1=N\c1cccc2ccccc12,C14403922_decoy,GCR,Decoy,0,-6.34551,-7.09,-7.13,-5.915019855928824
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc(Cl)cc1,C09088787_decoy,GCR,Decoy,0,-10.1056,-7.32,-4.02,-7.780134607325986
[H]/N=C1C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)/C(=O)N=C2SC=C(c3ccccc3)N2/1,C19948862_decoy,GCR,Decoy,0,-8.91931,-4.02,-4.65,-4.017971312125058
CCn1c(SCC(=O)Nc2ccccc2Br)nc2sc3c(c2c1=O)CC[C@H](C)C3,C20856938_decoy,GCR,Decoy,0,-8.37475,-2.75,-3.24,-3.4934071208892568
CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccc(Br)cc2c1=O,C21134872_decoy,GCR,Decoy,0,-9.45461,8.17,-1.07,-0.5654191419783284
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc(I)cc1,C21760711_decoy,GCR,Decoy,0,-8.55248,-7.3,-0.76,-6.577023930971963
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCc2sccc2[C@@H]1c1cccs1,C23855550_decoy,GCR,Decoy,0,-9.39845,-4.39,-3.64,-4.387484950468428
O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1,C23855552_decoy,GCR,Decoy,0,-12.4415,-4.32,-4.63,-5.229740937633319
CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccc(Br)cc2c1=O,C25712021_decoy,GCR,Decoy,0,-9.71268,-5.45,-2.95,-6.997269093853523
O=C(Nc1ccncc1Br)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,C28539670_decoy,GCR,Decoy,0,-6.91598,-3.67,-3.34,-3.542703210249261
O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1,C30827918_decoy,GCR,Decoy,0,-4.06963,-3.71,-3.49,-2.354369057588086
Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(Br)cc3)C2)cc1,C33288503_decoy,GCR,Decoy,0,-10.7125,-3.16,-8.53,-4.8965621550721705
O=C(Nc1cccc([C@H]2C[C@H]3CN(C(=O)C4CCCC4)CC[C@@H]3O2)c1)c1ccc(Cl)cc1Cl,C33743533_decoy,GCR,Decoy,0,-12.3411,-3.55,-4.6,-4.991590808497478
Cc1ccccc1-n1c(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)nc2sc3c(c2c1=O)CCCC3,C35497758_decoy,GCR,Decoy,0,-8.98241,-6.11,-3.52,-5.080187251336126
Cc1ccc(C2=C3C(=O)N=C(SCC(=O)Nc4ccccc4Br)N=C3SC2)cc1,C38784703_decoy,GCR,Decoy,0,-10.7832,-3.9,-1.23,-5.085661668637661
C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(Br)cc1F,C45481104_decoy,GCR,Decoy,0,-8.86548,-3.55,-2.36,-4.077639319553805
O=C1N/C(=N/N=C/c2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(Br)cc1,C02324230_decoy,GCR,Decoy,0,-7.67685,-9.59,-4.64,-6.857188673174116
O=C(NCCN1CCN(c2nc3ccc(Br)cc3s2)CC1)c1ccc2c(c1)CCCC2,C38774076_decoy,GCR,Decoy,0,-12.1958,-4.05,-1.67,-5.354703425902647
O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N\c2ccc(Cl)cc2)S1,C33742955_decoy,GCR,Decoy,0,-9.9945,-3.49,-3.05,-4.6220321111156455
O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)c(Br)c1,C59200245_decoy,GCR,Decoy,0,-11.7615,-6.75,-3.39,-7.246019722401843
O=C(CSc1nc2cc(Cl)ccc2o1)Nc1nc(-c2ccc(Br)cc2)cs1,C59212673_decoy,GCR,Decoy,0,-12.0897,-3.79,-1.35,-4.979979199663506
COc1c(Br)cc(Br)cc1/C=N/c1ccc(NC(=O)c2ccco2)c(C)c1,C59477049_decoy,GCR,Decoy,0,-11.7511,-3.99,-5.06,-5.088328673145743
O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC(=O)c1ccc(Br)cc1,C62038938_decoy,GCR,Decoy,0,-10.8921,-3.3,-1.24,-4.936196018669374
O=C1/C(=C/c2ccc(Br)cc2)Oc2c1ccc(O)c2CN1CCN(c2ccc(F)cc2)CC1,C41585608_decoy,GCR,Decoy,0,-6.708,-3.77,-3.84,-2.931312588800025
Cc1cccc(-n2c(SCC(=O)Nc3cccc(Br)c3)nc3ccsc3c2=O)c1,C67209412_decoy,GCR,Decoy,0,-11.158,-4.24,-2.59,-5.135252842584152
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c3c(cccc13)CC2,C04471022_decoy,GCR,Decoy,0,-12.4463,-4.38,-1.5,-4.9642090741123015
COC(=O)c1c(NC(=O)c2ccc(I)cc2)sc2c1CCCC2,C02871330_decoy,GCR,Decoy,0,-10.6091,14.12,-0.98,1.2635816942228368
Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c1,C02855735_decoy,GCR,Decoy,0,-10.0111,-5.11,-1.75,-5.044179328286454
O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1c(F)cc(F)cc1Br,C00869782_decoy,GCR,Decoy,0,-8.66361,-9.83,-1.27,-8.88356473786615
C#CCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2cc(Br)ccc21,C08921494_decoy,GCR,Decoy,0,-5.18439,-5.24,-1.58,-3.176823807488446
O=C(Nc1ccccc1Br)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1,C01147839_decoy,GCR,Decoy,0,-9.72593,-5.27,-0.4,-5.065291438149255
O=C(CSc1ccc2c(c1)OCCCO2)Nc1c(Cl)cc(Cl)cc1Cl,C10603414_decoy,GCR,Decoy,0,-11.3149,-8.15,-1.74,-8.939567650483545
O=C(CSc1ccc2c(c1)OCCCO2)Nc1cc(Cl)c(Cl)cc1Cl,C10603426_decoy,GCR,Decoy,0,-10.6422,-5.08,-0.71,-5.628071148008062
COc1cc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)cc1OC,C11062198_decoy,GCR,Decoy,0,-10.3327,-7.92,-0.91,-8.821647468275303
Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c2)cs1,C13358043_decoy,GCR,Decoy,0,-11.5416,-3.76,-5.14,-4.639304462813337
O=S(=O)(Nc1nc2ccc(Br)cc2s1)c1ccc(Br)cc1,C14221706_decoy,GCR,Decoy,0,-10.6229,-5.91,-0.6,-8.467482557827719
O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(I)cc1,C01182529_decoy,GCR,Decoy,0,-10.6097,-3.29,-3.29,-4.189034331029514
O=C(/C=C/c1ccccc1Br)Nc1cc2c(cc1Br)OCCO2,C16008906_decoy,GCR,Decoy,0,-10.1488,-5.84,-0.73,-5.964541435011762
COC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@@H](C)C2,C02757153_decoy,GCR,Decoy,0,-9.98252,-3.76,-3.83,-4.38152851636261
O=C1S[C@H](Nc2ccc(Br)cc2)C(=O)N1Cc1ccc(Br)cc1,C16740554_decoy,GCR,Decoy,0,-8.93645,-5.31,-1.79,-4.977973118329838
O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccc(Br)cc1,C16764724_decoy,GCR,Decoy,0,-11.0206,5.43,-2.3,-1.802567931887772
CC(=O)Nc1sc2c(c1[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)CCCC2,C00950051_decoy,GCR,Decoy,0,-11.3836,-5.0,-2.87,-5.566101330278936
C=CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc21,C20604626_decoy,GCR,Decoy,0,-9.93687,18.36,-1.92,3.3324460136715834
Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(F)(F)F)cc(-c4ccc(C)s4)nc32)c1,C20604774_decoy,GCR,Decoy,0,-8.19616,-3.44,-3.42,-3.500908914541508
Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)ccc1Br,C20613741_decoy,GCR,Decoy,0,-10.3805,-6.31,-0.56,-5.378315794149449
Cc1cc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)ccc1Br,C22529203_decoy,GCR,Decoy,0,-11.0038,-8.01,-5.63,-12.042406541586269
O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(F)c(Br)c2)s1,C22608427_decoy,GCR,Decoy,0,-10.71,-5.5,-2.51,-5.892926000790547
O=C(NCCCBr)N1CCn2cccc2[C@H]1c1ccc(Br)cc1,C22797971_decoy,GCR,Decoy,0,-8.51601,-2.58,-1.66,-3.851518123174003
O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cc(Br)cs2)s1,C22958027_decoy,GCR,Decoy,0,-11.0397,13.3,-0.66,0.8382478903681438
O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1C[C@H]2CC[C@@H](C1)C21SCCS1,C15517148_decoy,GCR,Decoy,0,-12.4731,-4.4,-0.7,-5.5661672836938205
O=C(Cc1csc2nc(-c3ccccc3)cn12)N[C@@H]1CCSc2ccc(Cl)cc21,C32494789_decoy,GCR,Decoy,0,-11.5534,-8.76,-2.88,-10.79562478034238
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(F)cc4)cn3)[C@H]12,C34802887_decoy,GCR,Decoy,0,-11.3649,-4.48,-1.32,-4.658017997406622
Cc1ccc(C(=O)N2[C@H](C(=O)Nc3ccc(F)cc3)CS[C@H]2c2cccs2)cc1,C35192304_decoy,GCR,Decoy,0,-10.0805,-3.05,-2.26,-4.4862011796342935
Cc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccc(F)cc3)CS[C@H]2c2cccs2)cc1,C35192305_decoy,GCR,Decoy,0,-8.59072,-2.82,-1.81,-3.8285158585846233
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1,C00834619_decoy,GCR,Decoy,0,-9.4422,-9.63,-0.8,-8.268250717680493
COC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)sc2c1CCCC2,C35548402_decoy,GCR,Decoy,0,-11.1596,-3.02,-3.01,-4.760018623556082
N#C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C1CCCCC1,C40365747_decoy,GCR,Decoy,0,-10.1155,-7.18,-1.31,-11.120827422583483
O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccc(Cl)cc1,C40839748_decoy,GCR,Decoy,0,-10.1982,-3.07,-1.88,-4.235735863686752
Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cc(Br)cs3)s2)cc1,C45800107_decoy,GCR,Decoy,0,-10.7122,-3.95,-3.17,-4.588292078540979
Cc1cccc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1I,C46748844_decoy,GCR,Decoy,0,-10.3671,-3.73,-0.72,-4.397341912077813
CC[C@H]1CN(C(=O)Nc2cc(Br)ccc2I)CCO1,C49030518_decoy,GCR,Decoy,0,-9.0209,-8.66,-0.74,-8.547901508927024
Clc1cccc(NCc2cc(Br)c(Br)o2)c1-n1ccnc1,C50359496_decoy,GCR,Decoy,0,-9.85376,-7.38,-1.15,-8.406756720007296
O=C(Nc1ccccc1F)[C@H]1CS[C@H](c2cccs2)N1C(=O)c1ccccc1Cl,C00964363_decoy,GCR,Decoy,0,-8.31967,-3.64,-4.68,-4.090145612310738
O=C(Nc1ccccc1F)[C@H]1CS[C@@H](c2cccs2)N1C(=O)c1ccccc1Cl,C00964362_decoy,GCR,Decoy,0,-10.5414,-2.71,-3.5,-4.321537808637169
CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=C(\C)NCC(C)C,C04391332_decoy,GCR,Decoy,0,-10.4035,-8.91,-2.68,-14.174662822159007
Cc1cc(I)cc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21,C00825234_decoy,GCR,Decoy,0,-10.0447,-3.23,-0.05,-3.6665470373817
O=C1C[C@@H](Nc2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1,C01195105_decoy1,GCR,Decoy,0,-8.86018,-4.14,,-3.900188482664933
O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1cccs1,C57316727_decoy,GCR,Decoy,0,-10.9526,-3.68,-1.89,-4.591224405369825
O=C(N/N=C\c1ccc(I)o1)c1ccccc1Br,C58900489_decoy,GCR,Decoy,0,-8.53134,-7.34,-2.49,-6.730687995232996
N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)N1CCCCCC1,C59220582_decoy,GCR,Decoy,0,-10.6936,-8.99,-3.94,-12.023549125276386
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)c(C)c1,C59227409_decoy,GCR,Decoy,0,-10.2718,-3.64,-2.32,-4.223939222536561
Cc1cc(C)nc(SCC(=O)Nc2c(C)cc(Br)cc2Br)n1,C59432383_decoy,GCR,Decoy,0,-10.8067,-8.68,-1.94,-9.69965572727062
O=C(Cc1csc(-c2cc(Br)cs2)n1)Nc1nc2c(s1)CCC2,C59579216_decoy,GCR,Decoy,0,-12.318,17.68,,99.0
O=C1C[C@H](Nc2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1,C01195105_decoy2,GCR,Decoy,0,-8.9894,-8.06,,-9.895300110043085
COc1ccc(C2=CCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)cc1,C65609523_decoy,GCR,Decoy,0,-10.1069,-4.54,-1.2,-4.412975815555446
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NN3CCN(c4ccc(F)cc4)CC3)c21,C03662170_decoy,GCR,Decoy,0,-10.3065,-4.37,,99.0
O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCC(c2nc3ccccc3s2)CC1,C08777397_decoy,GCR,Decoy,0,-10.5651,-3.87,-2.5,-4.639565632459743
O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCC(c2nc3ccccc3s2)CC1,C09253718_decoy,GCR,Decoy,0,-12.6585,-3.73,-4.16,-5.268519909099592
CCOC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CCN(C(=O)OC)C2,C09325242_decoy,GCR,Decoy,0,-10.1847,-2.56,-2.05,-4.673020240502705
O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1,C03013301_decoy,GCR,Decoy,0,-10.1533,-3.84,-3.79,-4.433854983452431
CC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O,C09490549_decoy,GCR,Decoy,0,-10.4091,-7.06,-3.33,-7.910877495457475
Cc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)c(Br)c1,C02922333_decoy,GCR,Decoy,0,-10.6985,-4.66,-3.81,-4.887381487378667
O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCN(c2nccs2)CC1,C09468005_decoy,GCR,Decoy,0,-12.9686,-3.35,-3.93,-5.161857857223014
O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Nc1cccc(I)c1,C10667860_decoy,GCR,Decoy,0,-9.65129,-4.09,-0.98,-4.156479883842676
O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1ccccc1Br,C12591082_decoy,GCR,Decoy,0,-10.4545,-3.97,-4.97,-4.578816854792998
[H]/N=C1C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)/C(=O)N=C2SC(C3CCCCC3)=NN2/1,C04090339_decoy,GCR,Decoy,0,-5.62108,-4.56,-2.51,-3.266545503743973
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1CCOc1ccc(Br)cc1,C02214161_decoy,GCR,Decoy,0,-9.61183,-10.3,-3.18,-8.904562222223403
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N[C@@H](C)c3ccccc3)nc12,C13751038_decoy,GCR,Decoy,0,-6.52799,-3.52,-5.32,-2.827399134702496
Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CC[C@@H](C)C2,C02782327_decoy,GCR,Decoy,0,-11.3185,-4.1,-2.03,-5.201066241775482
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(S(=O)(=O)N2CCCCC2)s1,C14900185_decoy,GCR,Decoy,0,-5.75744,-4.41,-4.95,-3.619069048073394
CC(C)[C@H](NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccc2c(c1)OCCO2,C15027237_decoy,GCR,Decoy,0,-10.2366,-6.44,-4.34,-8.243734307628834
O=C(Nc1ccc(Br)cc1Br)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1,C15303400_decoy,GCR,Decoy,0,-10.8527,-8.67,-1.58,-8.112800295148434
Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)[C@H]2c2cccs2)cc1,C15312331_decoy,GCR,Decoy,0,-10.1748,-2.76,-2.28,-2.9472027641063177
Cc1ccc(-c2csc3nc(S[C@@H](C)C(=O)N[C@H]4CCS(=O)(=O)C4)n(C)c(=O)c23)cc1C,C16950004_decoy,GCR,Decoy,0,-11.0368,-3.62,-2.02,-5.042544983887966
CN1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c(C#N)c(-c3ccsc3)c2C1,C19852700_decoy,GCR,Decoy,0,-12.0774,-6.02,-4.32,-6.760787971637156
CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(-c4ccncc4)nc4ccc(Cl)cc34)sc2c1,C06427467_decoy,GCR,Decoy,0,-8.0305,-2.65,-2.09,-3.4250910020032554
Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)cc1,C20293300_decoy,GCR,Decoy,0,-12.2828,-8.16,-3.49,-8.399910307139132
Cc1ccc(C(=O)N2CCC[C@H]2c2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1,C20293343_decoy,GCR,Decoy,0,-11.8821,-3.82,-2.22,-4.938725691017304
COc1cc([C@H]2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O,C20702392_decoy,GCR,Decoy,0,-10.5828,-3.45,-1.54,-4.925440801188684
O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)s1,C22476216_decoy,GCR,Decoy,0,-11.8693,-3.66,-1.45,-5.323401177048201
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl,C23686422_decoy,GCR,Decoy,0,-11.281,-2.44,-3.94,-4.370628780553969
CCN1C[C@H](C[C@@H](C)NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c2cc(Br)ccc21,C27690096_decoy,GCR,Decoy,0,-10.6697,-8.54,-3.31,-12.278077623700405
CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4ccc(Br)cn4)s3)c2)CC1,C29038305_decoy,GCR,Decoy,0,-11.834,-8.82,-3.58,-8.525908166774261
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1nn(-c2ccccc2F)c2c1CCC2,C33227277_decoy,GCR,Decoy,0,-11.0898,-3.66,-2.52,-5.105216383107751
CC1=C(C(=O)N(C)C)[C@H](c2ccc(C(F)(F)F)cc2)N2C(/C=C(\[O-])N3CC[NH+](C)CC3)=CSC2=N1,C35702127_decoy,GCR,Decoy,0,-6.53302,-3.51,-2.2,-2.7717523409961915
O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,C15609825_decoy,GCR,Decoy,0,-11.8034,-4.78,-2.61,-4.9392516936950726
O=C(N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12)c1cccnc1,C10002293_decoy,GCR,Decoy,0,-6.17524,-4.23,-3.09,-3.070524044283587
COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(-n5cc[nH]c5=S)cc4)CC3)cs2)cc1,C40119591_decoy,GCR,Decoy,0,-13.359,-3.65,-4.0,-5.203522711549069
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OC,C40940552_decoy,GCR,Decoy,0,-11.0167,0.66,-2.18,-4.718232699471092
C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)Cc3sc(CS(=O)(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O,C43549199_decoy,GCR,Decoy,0,-12.1912,-2.74,-0.97,-5.063770451979388
O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1,C45649394_decoy,GCR,Decoy,0,-11.4531,-3.43,-3.94,-4.900245575695331
C[C@H]1C/C(=C\c2ccco2)c2nc3ccccc3c(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)c2C1,C45891397_decoy,GCR,Decoy,0,-7.43571,-4.0,-5.6,-3.5333308326010986
Cc1nc2s/c(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)c(=O)n2n1,C47154674_decoy,GCR,Decoy,0,-10.1089,-3.84,-2.69,-4.593967492961672
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21,C09461764_decoy,GCR,Decoy,0,-10.0218,-3.59,-3.39,-4.192993826701375
O=C(c1sc2cc(F)ccc2c1Cl)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1,C01378073_decoy,GCR,Decoy,0,-11.9888,-2.94,-4.93,-4.918487138607469
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(C)cc21,C14920357_decoy,GCR,Decoy,0,-10.8023,-4.55,-3.65,-5.017546052181506
[H]/N=C1C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)/C(=O)N=C2SC(Cc3ccccc3)=NN2/1,C09113714_decoy,GCR,Decoy,0,-12.1361,-2.74,-1.69,-4.597362799662388
O=C(Nc1ccccc1N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@H]1CC(=O)N(c2ccccc2)C1,C59857907_decoy,GCR,Decoy,0,-5.994,-3.49,-3.24,-3.0679095613770326
Cc1nn(C)cc1CN(C)C(=O)C1=C(Br)C2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1,C13124515_decoy,GCR,Decoy,0,-11.8054,-9.53,-3.15,-11.0114893672807
[H]/N=C1C(=C/c2c(C)n(CCOc3ccc(C)c(C)c3)c3ccccc23)/C(=O)N=C2SC(C(C)C)=NN2/1,C38203874_decoy,GCR,Decoy,0,-10.4826,-2.85,-2.3,-4.4607896423882405
[H]/N=C1C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)/C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN2/1,C33916765_decoy,GCR,Decoy,0,-12.7294,-3.93,-1.4,-4.85237922781196
O=C(Nc1ccc(C2=NN=CC2)cc1)[C@H]1CCCN(S(=O)(=O)C2=CC[C@H](Br)S2)C1,C39782271_decoy,GCR,Decoy,0,-11.6675,-4.18,-2.07,-5.588507014245062
CSc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3ccc(C)nc32)c1,C45995048_decoy,GCR,Decoy,0,-6.40033,-4.0,-4.9,-3.207522543394054
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1C,C64941401_decoy,GCR,Decoy,0,-7.74733,-3.78,-1.69,-3.809181980351713
CCc1ccc(-n2c(=O)c3sc(SC)nc3n(CC(=O)Nc3c(C)cc(C)cc3C)c2=O)cc1,C65100600_decoy,GCR,Decoy,0,-10.5754,-3.72,-3.98,-4.653251159638298
CCOC(=O)SC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1,C06491986_decoy,GCR,Decoy,0,-10.0063,-4.89,-4.16,-5.447276642098458
C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2scc(-c3ccc(C)o3)c2c1=O,C02890813_decoy,GCR,Decoy,0,-12.6779,-8.32,-1.68,-9.604660896249989
COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3c(Cl)cccc3Cl)cc12,C02206238_decoy,GCR,Decoy,0,-10.9422,-8.29,-2.5,-12.406857780738818
Cc1cc(Br)cc(Br)c1OCC(=O)Oc1ccc(C(=O)OC(C)C)cc1,C09267239_decoy,GCR,Decoy,0,-11.2704,-8.64,-3.17,-10.48230678441049
O=C(CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2)c1ccccc1,C02246320_decoy,GCR,Decoy,0,-7.01105,-4.57,-3.02,-3.781205277960512
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(Cl)cc2)C1C(=O)OCCOC(C)C,C08926922_decoy,GCR,Decoy,0,-12.722,26.82,-1.83,6.6874427801361005
CCOc1ccc(-n2c(SCC(=O)c3cccs3)nc3sc4c(c3c2=O)CCCC4)cc1,C01177014_decoy,GCR,Decoy,0,-10.9915,-3.46,-3.17,-4.818818767546458
COC(=O)C1C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(CSc2nc3ccccc3s2)cs1,C12416412_decoy,GCR,Decoy,0,-9.67347,6.61,-2.64,-0.7904479649137657
COC(=O)C1C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(CSc2nc3ccccc3s2)cs1,C12416413_decoy,GCR,Decoy,0,-12.7311,-3.83,-2.18,-5.337875362073107
COCCn1/c(=N/C(=O)CCSc2ccc(OC)cc2)sc2cc(Br)ccc21,C12491075_decoy,GCR,Decoy,0,-11.8696,-5.16,-3.77,-7.822127563657614
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2c(Cl)ccc(Cl)c21,C12630836_decoy,GCR,Decoy,0,-11.7967,-4.07,-2.13,-5.682348135275082
O=C(CCSc1nc(-c2cccs2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1,C12522793_decoy,GCR,Decoy,0,-11.0708,-8.28,-1.99,-8.013036779072705
CCOC(=O)Cn1/c(=N/C(=O)CSCc2ccccc2)sc2cc(Br)ccc21,C12310617_decoy,GCR,Decoy,0,-11.128,-4.01,-2.11,-5.726762319896081
COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCC(C)CC2)c1,C13562032_decoy,GCR,Decoy,0,-6.01544,-3.3,-4.36,-2.931289382835572
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1,C13644297_decoy,GCR,Decoy,0,-5.94292,19.92,-5.36,4.970003081383143
C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CN(C)C(=O)c1ccccc1,C16041119_decoy,GCR,Decoy,0,-11.4398,-9.54,-3.89,-9.461945656963527
COCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)CC(C)(C)C,C16528794_decoy,GCR,Decoy,0,-11.2071,-2.92,-2.62,-7.253158622807692
Cc1cccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C2CC2)c1,C16569650_decoy,GCR,Decoy,0,-4.40693,-3.32,-4.24,-2.5914303686558635
C=CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,C18890428_decoy,GCR,Decoy,0,-11.0457,-3.25,-20.35,-5.320841727376117
Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(Cl)ccc3Cl)nc2c1,C20589393_decoy,GCR,Decoy,0,-11.3474,-3.55,-2.26,-5.067045223730978
Cc1ccc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3cc(Cl)ccc3Cl)nc12,C20589885_decoy,GCR,Decoy,0,-10.6971,-4.16,-4.68,-5.010668689934522
Cc1ccc(-c2ccc(CCC(=O)N3CCN(CC(C)C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1,C23444426_decoy,GCR,Decoy,0,-6.37376,-4.52,-3.42,-3.714909086622708
CCCOC(=O)c1ccc2ccccc2c1OC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C,C33514337_decoy,GCR,Decoy,0,-4.30664,-5.15,-4.02,-3.118121186343498
CCCC(=O)N(CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C,C35097288_decoy,GCR,Decoy,0,-10.9521,-4.89,-4.53,-5.616325314752205
Cc1cccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)CCC2CCCC2)C2CC2)c1,C35231193_decoy,GCR,Decoy,0,-9.60898,-3.54,-3.92,-4.413085317421642
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)S(=O)(=O)/C=C/c1ccccc1,C35358617_decoy,GCR,Decoy,0,-11.0596,-3.26,-1.45,-4.768309525414255
O=C(C[C@@H](c1ccccc1)c1cnc2ccc(Cl)cn12)N1CCN(C/C=C/c2ccccc2)CC1,C35438224_decoy,GCR,Decoy,0,-10.0679,-4.91,-3.11,-5.28939619670673
O=C(C[C@H](c1ccccc1)c1cnc2ccc(Cl)cn12)N1CCN(C/C=C/c2ccccc2)CC1,C35438225_decoy,GCR,Decoy,0,-13.1163,-4.85,-3.32,-6.249165884071245
CC(C)(CCl)C(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@@H]1CCCO1,C35493808_decoy,GCR,Decoy,0,-11.0813,11.99,-3.78,0.3190242784276611
CCCCc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(C)cc4)nc4sc(C)cn34)CC2)cc1,C35553662_decoy,GCR,Decoy,0,-10.6267,-4.1,-3.81,-4.78562906556137
CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1,C18774508_decoy,GCR,Decoy,0,-12.0156,-7.96,-2.67,-14.33117511814902
CCCCc1nc(N2CCN(C(=O)[C@@H](Cl)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3,C35865022_decoy,GCR,Decoy,0,-8.98977,5.35,-4.18,-1.0182837839458088
CCCCCCC(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2C)CC1,C35933334_decoy,GCR,Decoy,0,-11.5972,-2.99,-3.6,-5.146273357587894
CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)c1ccc(F)cc1,C36118775_decoy,GCR,Decoy,0,-6.47216,-8.33,-2.95,-5.52652570151252
Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)C2CCCC2)c(C)c1,C36119231_decoy,GCR,Decoy,0,-9.14861,-4.2,-2.93,-4.759821131868246
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)c1ccc(C)cc1,C36119285_decoy,GCR,Decoy,0,-7.0355,-3.46,-2.22,-3.455236756726039
C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C(=O)c1ccc(C)cc1,C36119286_decoy,GCR,Decoy,0,-9.0764,-8.07,-4.54,-8.850330858185163
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2cccc(F)c2)C(C)(C)C)cc1,C36121049_decoy,GCR,Decoy,0,-6.75417,-3.25,-3.48,-3.518293412008123
O=C1C[C@@H](c2nc3ccccc3n2CCOc2cccc3ccccc23)CN1c1ccc(Cl)cc1,C38585184_decoy,GCR,Decoy,0,-10.7712,-8.81,-2.82,-10.06725254955848
O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CN1c1ccc(Cl)cc1,C38585281_decoy,GCR,Decoy,0,-6.47388,-3.54,-4.07,-3.398954762877268
Cc1ccc(Cl)c2sc(N(CCCN3CCOCC3)C(=O)Cc3ccccc3Cl)nc12,C36707469_decoy,GCR,Decoy,0,-10.7991,-5.13,-4.03,-5.717339894087732
CSc1ccc(CC(=O)N(CCn2nc(C)cc2C)c2nc3c(C(C)C)cccc3s2)cc1,C38902299_decoy,GCR,Decoy,0,-7.18733,-4.04,-2.01,-3.8726273428929
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1,C39850219_decoy,GCR,Decoy,0,-6.96135,-7.2,-5.34,-4.796930880259897
COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1F,C39869110_decoy,GCR,Decoy,0,-7.54543,-3.96,-3.52,-3.3597471540188737
Cc1cccc([C@H](CC(=O)N2CCC3(CC2)OCCO3)c2cn(Cc3ccccc3)c3ccccc23)c1,C40371360_decoy,GCR,Decoy,0,-10.7689,-5.21,-3.76,-5.46591961542241
O=C(OCCCN1C(=O)c2ccc(Br)cc2C1=O)c1sc2ccccc2c1Cl,C41007610_decoy,GCR,Decoy,0,-10.8321,-6.05,-1.0,-5.967363444185811
CCCCN1CCN(C(=O)c2cc(-c3cccc(OCC)c3)nc3ccc(Br)cc23)CC1,C13321631_decoy,GCR,Decoy,0,-11.4573,-3.48,-4.07,-4.76646931392239
O=C(c1ccc(CSc2nc(-c3cccs3)cs2)o1)N1CCN(c2ccccc2F)CC1,C57308256_decoy,GCR,Decoy,0,-13.6588,-4.35,-2.3,-6.23467875360795
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1CC=C,C59333285_decoy,GCR,Decoy,0,-12.3052,-3.5,-3.06,-5.659886128078295
O=C(CSc1nc2c(sc3ncccc32)c(=O)n1Cc1ccccc1)c1ccccc1Cl,C45924173_decoy,GCR,Decoy,0,-6.67675,-1.8,-2.23,-2.417170880460049
O=C1C2=C(c3ccccc31)[C@H](c1ccccn1)Nc1ccc3ccccc3c12,C00659356_decoy,GCR,Decoy,0,-9.76402,-2.77,-1.9,-3.1115523234656512
O=C(/C=C/c1cccs1)Nc1ccc(Br)c(Br)c1,C00652514_decoy,GCR,Decoy,0,-9.9485,-4.61,-1.12,-5.026109221179072
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1F,C05185913_decoy,GCR,Decoy,0,-8.91588,-7.92,-0.82,-7.026491035633982
C[C@@H]1CCC(=O)N[C@@H]2C(=O)[C@]3(C)[C@@H](CC[C@@H]13)[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@@H]12,C05275341_decoy,GCR,Decoy,0,-9.67502,-5.04,-1.94,-2.9525811714126093
O=C1N=C(c2ccc(Br)cc2)N/C1=C/c1cccc(Cl)c1,C06321515_decoy,GCR,Decoy,0,-9.08434,-2.91,-0.53,-3.325240546292761
Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Cl,C09141832_decoy,GCR,Decoy,0,-8.92493,-3.65,-5.16,-3.815972327475203
CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)Nc2ccc(Br)cc21,C09434644_decoy,GCR,Decoy,0,-8.99329,-9.62,-1.7,-9.430000409608857
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(C)cc(C)cc1C)N2,C14457639_decoy,GCR,Decoy,0,-10.522,-3.36,-5.1,-4.278742586038732
CC(=O)N(C)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2,C14457641_decoy,GCR,Decoy,0,-10.6329,14.25,-3.03,1.1328046908460423
O=C(Nc1ccc(Br)cc1F)c1cc(Cl)cc(Cl)c1,C15008330_decoy,GCR,Decoy,0,-8.99674,-7.98,-1.11,-7.224516728361467
O=C(Nc1ccc(I)cc1)c1cc(Cl)ccc1F,C15579227_decoy,GCR,Decoy,0,-8.11929,-7.68,-2.6,-8.777577316294414
CSc1ccc(Cl)c(C(=O)Nc2ccc(Br)cc2C)c1,C15649740_decoy,GCR,Decoy,0,-10.1511,-3.24,-1.22,-4.346279739000859
Oc1ccccc1/C=N/c1ccc(I)cc1Cl,C16449082_decoy,GCR,Decoy,0,-8.44665,-7.68,-0.65,-6.760367078554816
O=C(Nc1cccc(Cl)c1)C1C[C@H]2CCC[C@@H](C1)C21SCCS1,C06251133_decoy,GCR,Decoy,0,-10.359,-1.97,-2.39,-3.588320241172836
Clc1cc(Cl)c(NCc2ccc(Br)o2)cc1Cl,C20553560_decoy,GCR,Decoy,0,-9.22619,-6.31,-1.8,-7.590494892305725
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Sc1nc2ccccc2[nH]1,C22014415_decoy,GCR,Decoy,0,-6.88046,-4.85,-0.72,-3.810621789525056
Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)cc1,C17073707_decoy,GCR,Decoy,0,-9.82474,-3.92,-1.59,-3.709746820839696
Fc1ccc(CNc2cc(Cl)cc3cccnc23)cc1Br,C36918523_decoy,GCR,Decoy,0,-9.16699,-8.34,-1.88,-8.425129936205444
Cc1ccc([C@@H](C)Nc2ccc(Br)cc2Br)o1,C36956996_decoy,GCR,Decoy,0,-8.84997,10.3,-1.43,0.5091900194282664
Cc1cc(I)ccc1NCc1cc2ccccc2o1,C37057086_decoy,GCR,Decoy,0,-8.22696,-7.25,-2.88,-7.204957011953557
Ic1ccc(CNc2cccc3c2CCCC3)o1,C37197338_decoy,GCR,Decoy,0,-8.52348,-7.04,-0.68,-6.611774950113617
Fc1ccc(N[C@@H]2CCCOc3cc(Br)ccc32)cc1F,C37201757_decoy,GCR,Decoy,0,-8.22823,-7.8,-1.13,-9.528258587582112
CSc1ccccc1N[C@H]1CCCOc2cc(Br)ccc21,C37279216_decoy,GCR,Decoy,0,-10.1729,-8.1,-1.83,-9.944101648122109
Fc1cc(Cl)ccc1N[C@H]1CCOc2ccc(Br)cc21,C37297322_decoy,GCR,Decoy,0,-9.64245,-7.65,-0.43,-9.461363172072396
Cc1cc(I)ccc1N[C@H](C)c1scnc1C,C37297828_decoy,GCR,Decoy,0,-9.24563,-6.92,-1.38,-8.312622577523612
Cc1ccc(Br)cc1-n1c(=S)[nH]c2cc(Cl)ccc21,C37368771_decoy,GCR,Decoy,0,-9.23726,-7.41,0.27,-11.051691957609927
O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(Br)cc1F,C37498186_decoy,GCR,Decoy,0,-7.77117,-8.26,-1.1,-9.16509480080222
C[C@@H](CCC#N)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C37629310_decoy,GCR,Decoy,0,-11.4164,-9.52,-0.67,-9.33276026432612
N#C[C@@H](Nc1ccccc1Br)c1ccccc1Br,C37938548_decoy,GCR,Decoy,0,-7.69072,-6.75,-0.79,-7.460793334548597
N#CC1(NC(=O)c2cc(Br)ccc2Cl)CCCCCC1,C37999501_decoy,GCR,Decoy,0,-9.00316,-8.32,-0.48,-10.159945589915983
C[C@H](Nc1ccc(Br)cn1)c1cccc(Br)c1,C38012647_decoy,GCR,Decoy,0,-8.45363,-6.63,-0.95,-6.982966029702909
CO[C@@H]1CCC[C@]2(CCC[C@H](Br)C2)N1c1ccccc1O,C39521254_decoy,GCR,Decoy,0,-9.10815,-4.89,-2.2,-4.418004202309217
CO[C@@H]1CCC[C@@]2(CCC[C@H](c3ccccc3O)C2)N1Br,C39525014_decoy,GCR,Decoy,0,-8.09209,-3.0,-3.79,-3.033263733822018
CCCc1cc(I)ccc1N1CCN[C@@H](Cl)C1,C39529176_decoy,GCR,Decoy,0,-9.33715,-8.05,-0.67,-9.613372349785395
O=C1CCc2cc([C@@H](Cl)c3ccc(Br)s3)c(F)cc2N1,C40276280_decoy,GCR,Decoy,0,-10.3302,-6.84,-0.73,-9.074723817377528
O=C1Cc2cc([C@H](Cl)c3ccc(Br)cc3)c(Cl)cc2N1,C40276337_decoy,GCR,Decoy,0,-9.27015,-8.61,0.02,-7.700575137404568
Cc1ccc(C)c([C@@H](Br)c2cc3c(cc2Cl)NC(=O)C3)c1,C40289565_decoy,GCR,Decoy,0,-9.06085,-9.05,-0.37,-8.219478678302911
CC(C)C[C@@H]1CS/C(=N\c2ccccc2I)N1,C40795106_decoy,GCR,Decoy,0,-9.47047,-6.96,-1.4,-7.441641490308092
N#C[C@H](Nc1ccc(Br)cc1)c1cc(Br)cs1,C41677509_decoy,GCR,Decoy,0,-9.47478,-6.11,-1.37,-6.772120130839188
N#C[C@H](Nc1ccccc1Br)c1ccc(Br)s1,C41678815_decoy,GCR,Decoy,0,-9.20974,-5.66,-4.7,-6.167481333916482
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(I)c1,C42319927_decoy,GCR,Decoy,0,-7.57017,-8.34,-2.01,-8.306905044541741
Clc1nccnc1Nc1ccc(Br)cc1Br,C43538081_decoy,GCR,Decoy,0,-9.18585,-6.74,-2.08,-6.4901006329896
CSc1nc2cc(-c3ccc(Br)cc3)sc2c(=O)[nH]1,C49068562_decoy,GCR,Decoy,0,-9.54387,-0.64,-0.35,-3.107605101982005
Brc1ccc2sc(N[C@H]3CCOc4ccccc43)nc2c1,C51987520_decoy,GCR,Decoy,0,-9.06107,-8.07,-2.08,-11.156910319356069
Cc1ccc(/N=C2/N[C@]3(CCC[C@H](C)C3)CS2)c(Br)c1,C53098763_decoy,GCR,Decoy,0,-9.12656,-3.32,,99.0
C[C@H]1CCC[C@@]2(CS/C(=N\c3ccc(Br)cc3F)N2)C1,C53098973_decoy,GCR,Decoy,0,-9.42664,-8.66,-2.7,-10.09410744090838
Cc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1I,C12462346_decoy,GCR,Decoy,0,-8.1428,-4.23,-2.62,-3.338836984134986
C[C@H](O)Cc1ccc(-c2ccc(Br)cc2Br)o1,C62771423_decoy,GCR,Decoy,0,-8.75435,-3.53,-0.46,-3.738897055581014
CNC(=S)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccccc1Cl,C13658356_decoy,GCR,Decoy,0,-9.60158,-3.52,-1.45,-3.975001745204988
O=C(Nc1ccc(Br)cc1Br)[C@@H]1C[C@@H]2C=C[C@H]1C2,C66061799_decoy,GCR,Decoy,0,-8.84588,-7.46,-0.66,-10.526300745264912
CC(=O)N1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1,C04275148_decoy,GCR,Decoy,0,-11.1875,16.49,-5.51,1.8632900802819088
NC(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)c(Cl)c2F)cc1,C05602207_decoy,GCR,Decoy,0,-8.50615,-8.71,-1.37,-8.493390103568167
Nn1c(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n[nH]c1=S,C08393123_decoy,GCR,Decoy,0,-7.72082,-6.3,-1.15,-7.153521893275967
NC(=O)c1c(NC(=O)/C=C/c2ccc(Br)o2)sc2c1CCC2,C02659925_decoy,GCR,Decoy,0,-9.23592,30.71,-0.88,7.665412814039847
C[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(-c2cccs2)cc(N)c1=O,C12181228_decoy,GCR,Decoy,0,-9.26281,-8.49,-4.02,-8.729557061533814
NS(=O)(=O)c1ccc(CNC(=O)c2cccc(I)c2)s1,C14629667_decoy,GCR,Decoy,0,-9.8462,-7.4,-2.04,-6.857593614852932
Cc1ccc(C(c2ccc(C)c(C)c2)[C@@H](O)[C@@H]2OC(=O)[C@@H](O)[C@@H]2O)cc1C,C17020646_decoy,GCR,Decoy,0,-10.2897,-5.74,-4.87,-5.327023355541868
N#C[C@@H](c1nc2ccccc2s1)[C@H](c1ccccc1)n1[nH]c(=O)cc1N,C20219049_decoy,GCR,Decoy,0,-9.56008,-8.79,-4.0,-9.21225380289328
N#CC1=C(N)Sc2ccc(F)cc2[C@]12C(=O)NC1=C2C(=O)c2ccccc21,C04810032_decoy,GCR,Decoy,0,-9.83533,-6.3,-1.65,-3.055645826698576
C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccccc1Br,C22737504_decoy,GCR,Decoy,0,-8.89503,-6.98,-2.02,-9.881815975481532
CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)c1C,C23478322_decoy,GCR,Decoy,0,-9.81301,-9.14,-3.41,-10.138795647174842
O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccccc1,C33286012_decoy,GCR,Decoy,0,-11.1873,-4.28,-1.2,-4.698508461162051
N#C[C@@H](c1nc2ccccc2s1)[C@@H](c1cccs1)n1[nH]c(=O)cc1N,C33601516_decoy,GCR,Decoy,0,-7.87896,-4.26,-2.29,-3.817160540711965
N#Cc1c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)sc2c1CCC2,C35343868_decoy,GCR,Decoy,0,-10.5679,-8.5,-2.66,-9.170796584676827
Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cncc(Br)c1,C37010883_decoy,GCR,Decoy,0,-9.53823,4.78,-1.76,-1.6887488068339185
Nc1cc(Br)cc(Br)c1S(=O)(=O)NC[C@@H]1CCCO1,C37055227_decoy,GCR,Decoy,0,-8.70648,-6.75,-1.17,-8.319641392087679
Nc1cc(Br)ccc1SCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl,C37205308_decoy,GCR,Decoy,0,-9.38896,-5.99,-1.17,-12.262386955924462
Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(Br)cn1C,C37844780_decoy,GCR,Decoy,0,-9.9251,-7.26,-1.0,-6.877273747647259
NS(=O)(=O)c1ccccc1NC(=O)c1ccc(Br)s1,C40378081_decoy,GCR,Decoy,0,-10.1273,-3.48,-0.83,-4.50158588928019
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1C[C@@H]3C[C@]1(O)CO,C42750796_decoy,GCR,Decoy,0,-11.1192,-4.11,-2.91,-1.7076152147622272
O=C1CN(c2ccc(CNC(=O)Nc3cc(F)ccc3F)cc2)CCN1,C43234638_decoy,GCR,Decoy,0,-9.17379,-3.38,-1.67,-3.90031723889122
NC(=O)NC[C@H]1CCCN(C(=O)c2ccc(I)cc2)C1,C47400903_decoy,GCR,Decoy,0,-9.44817,-8.18,-0.91,-8.765520655326617
CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1,C48687009_decoy,GCR,Decoy,0,-9.64847,-8.24,-1.38,-10.53040190235977
CNC(=O)CNC(=O)C(=O)Nc1c(C)cc(Br)cc1Cl,C49269962_decoy,GCR,Decoy,0,-8.68039,-4.87,-1.98,-5.723767386914652
C[C@@H](O)CN(C)S(=O)(=O)c1c(Br)cc(N)cc1Br,C51819162_decoy,GCR,Decoy,0,-8.69053,-6.15,-0.67,-14.227980405207411
Cn1c[nH+]c(S(=O)(=O)[N-]c2c(Br)cc(N)cc2Br)c1,C52095959_decoy,GCR,Decoy,0,-8.92173,-6.81,-1.4,-9.856952476519364
Cc1ccc(CNS(=O)(=O)c2c(Br)cc(N)cc2Br)o1,C53035687_decoy,GCR,Decoy,0,-8.92303,-6.82,-0.51,-10.011742970663796
CC1(C)[C@H]2CC[C@]1(C)[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C2,C55275792_decoy,GCR,Decoy,0,-9.83237,-7.09,-0.78,-7.353611081675063
Cc1cc(S(N)(=O)=O)cc(NC(=O)/C=C\c2cccc3cccnc23)c1C,C55371679_decoy,GCR,Decoy,0,-10.8955,-9.64,-1.48,-9.892831513342792
O=C(NC1CC1)C1CCN(C(=O)NC2[C@@H]3CCC[C@H]2C[NH+](C2CC2)C3)CC1,C56814027_decoy,GCR,Decoy,0,-10.2073,-2.74,-1.12,-4.36679686897508
O=C1N[C@@H](c2cccs2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1,C06222082_decoy,GCR,Decoy,0,-8.64425,-4.23,-2.06,-4.4217650439266
COC(=O)[C@H]1[C@H](c2ccc(Br)cc2)c2c(O)n[nH]c2C[C@@]1(C)O,C04649788_decoy,GCR,Decoy,0,-9.04834,-5.2,-3.49,-7.329757786228988
O=C(NNC(=O)c1occc1-c1ccccc1)c1cc(Br)c[nH]1,C28080530_decoy,GCR,Decoy,0,-9.6118,-8.02,-3.89,-6.723932383540593
Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2c(nc3sccn32)s1,C58352537_decoy,GCR,Decoy,0,-11.4101,-4.09,-3.06,-4.987754523028023
CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)c1C,C58356383_decoy,GCR,Decoy,0,-11.1366,-4.25,-0.87,-4.858630183703242
C[C@@H](O)CC(=O)N/N=C/c1cc(Br)cc(Br)c1O,C59148415_decoy,GCR,Decoy,0,-10.1896,-7.26,-4.82,-7.574212675808548
C[C@H]1[C@@H](NC(=O)[C@H](C)Sc2nc(N)c(C#N)cc2C#N)CCC[C@@H]1C,C60583016_decoy,GCR,Decoy,0,-9.77857,-9.4,-2.02,-13.021523816663716
Nc1cc(Cl)cc(S(=O)(=O)/N=c2/cccc[nH]2)c1Br,C61881401_decoy,GCR,Decoy,0,-8.62431,-7.38,-0.76,-7.443172802867743
NC1=NC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)S1,C17878850_decoy,GCR,Decoy,0,-10.0661,-6.44,-2.33,-7.640691036655441
C[NH+](C)C1(CNC(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)CCCCC1,C63651776_decoy,GCR,Decoy,0,-10.3662,-8.27,-1.02,-13.4724165946261
C[C@H](SC1=NC(=O)CC(N)=N1)C(=O)Nc1ccc(Br)cc1,C63896997_decoy,GCR,Decoy,0,-9.46278,-6.21,-3.46,-7.532409453228546
O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)NC1CC1,C64900157_decoy,GCR,Decoy,0,-9.47259,-7.23,-0.88,-8.219694946337096
CNC(=O)c1ccc(C)c(NC(=O)c2[nH]nc(C3CC3)c2Br)c1,C65106794_decoy,GCR,Decoy,0,-9.66932,-3.58,-2.11,-4.848331719396992
CCNC(=O)NNC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2,C65191376_decoy,GCR,Decoy,0,-9.33981,-7.96,-1.43,-8.481564498355649
Cc1ccsc1[C@@H]1CCN(C(=O)c2cc(C(C)C)nc(N)n2)C[C@H]1O,C65394153_decoy,GCR,Decoy,0,-9.581,-3.87,-5.13,-4.51455518966572
CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(N)c(Cl)c1,C55128511_decoy,GCR,Decoy,0,-9.73344,4.63,-0.57,-1.7516250029118712
Cc1sc(NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)c(C(N)=O)c1C,C66769745_decoy,GCR,Decoy,0,-10.7447,-6.83,-1.59,-7.78442984607869
O=C(Cc1ccccc1F)NNC(=O)c1ccc2c(c1)NC(=O)CS2,C66775722_decoy,GCR,Decoy,0,-9.41354,-2.62,-1.63,-3.882985352340047
Cc1ccsc1C(=O)NNC(=O)c1ccc2c(c1)NC(=O)CCS2,C66783526_decoy,GCR,Decoy,0,-10.4807,-3.5,-5.53,-4.3834935094960175
CC(=O)Nc1cc(NC(=O)N2CC=C(c3ccc(O)cc3)CC2)c(F)cc1F,C66981659_decoy,GCR,Decoy,0,-9.4276,-3.53,-0.64,-4.414623209066231
C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc5c(c4)OCO5)nc3[C@@H](C)[C@@H]2[C@H]1O,C04222051_decoy,GCR,Decoy,0,-12.3809,-3.1,-2.65,-5.587917439589758
COc1ccc(OC)c(Nc2nc3c(s2)C[C@]2(C)CC[C@H]([C@H](C)C(=O)N4CCSCC4)[C@H](O)[C@H]2[C@@H]3C)c1,C04147187_decoy,GCR,Decoy,0,-14.9247,-9.77,-2.46,-21.46031600715519
O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)[nH]1,C03427238_decoy,GCR,Decoy,0,-12.477,-5.31,-2.94,-6.118859214508635
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3)Nc1ccc2cn[nH]c2c1,C01105458_decoy,GCR,Decoy,0,-13.5373,4.78,-4.19,-4.436395111403789
O=C(N[C@H](C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1,C01763898_decoy,GCR,Decoy,0,-9.63831,-6.72,-4.42,-5.088231595710785
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)c1C,C00729771_decoy,GCR,Decoy,0,-11.0907,-8.35,-1.97,-10.70492987817141
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C00778301_decoy,GCR,Decoy,0,-12.7579,-6.17,-4.02,-6.968502424773595
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sc4nc5c(cc4c3N)CCCCC5)cc2)n1,C06088326_decoy,GCR,Decoy,0,-12.6587,-5.21,-2.22,-5.474766811490057
C=CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(NS(=O)(=O)c4cccc5cccnc45)nc3[C@@H](C)[C@@H]2[C@H]1O,C04149990_decoy,GCR,Decoy,0,-13.888,-3.84,-2.32,-5.803572633427429
C#CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(NS(=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04150005_decoy,GCR,Decoy,0,-13.8151,-8.26,-3.78,-9.11360813795147
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(=O)Nc2ccc(Br)cc2)C1,C00968780_decoy,GCR,Decoy,0,-7.82417,-2.51,-4.06,-3.019076111603684
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1COc1ccc([N+](=O)[O-])cc1,C00667401_decoy,GCR,Decoy,0,-9.67104,-2.69,-2.66,-4.162321785341973
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1,C09144483_decoy,GCR,Decoy,0,-8.829,-4.14,-3.53,-4.472871609340824
CC(C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C09777227_decoy,GCR,Decoy,0,-11.3196,-6.13,-3.42,-5.080711821058334
CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C2CCCCC2)[C@@H]4C(=O)N[C@H]2CCCC[C@H]2C)cc1,C09777344_decoy,GCR,Decoy,0,-8.39314,-3.21,-3.82,-3.3810227001307567
O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2,C11855989_decoy,GCR,Decoy,0,-7.01075,-2.87,-3.8,-3.2956238255915467
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1,C12007784_decoy,GCR,Decoy,0,-9.80186,-2.94,-3.13,-4.498164832670888
O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C12009208_decoy,GCR,Decoy,0,-5.1035,2.75,-5.15,-0.6830398817363208
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CCCCC2,C12064313_decoy,GCR,Decoy,0,-9.0368,-2.66,-5.12,-3.754739042010255
Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)NC5CCCC5)cc4)n3c2c1,C06193874_decoy,GCR,Decoy,0,-7.40894,-4.57,-4.44,-3.765053753367783
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3s2)c(C)c1,C13940809_decoy,GCR,Decoy,0,-7.4869,-4.42,-2.42,-3.83843941139764
COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1ccccc1F,C15319252_decoy,GCR,Decoy,0,-5.29521,7.88,-3.94,0.7477516860845986
COc1cc(Br)ccc1OCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21,C01234291_decoy,GCR,Decoy,0,-9.49292,-7.18,-3.8,-5.413532579129231
COc1ccc(OCc2ccc([C@@H]3C(C(=O)Nc4ccc(C)cn4)=C(C)NC4=C3C(=O)CC(C)(C)C4)o2)cc1,C20601893_decoy,GCR,Decoy,0,-7.61519,3.55,-2.47,-1.328645817776153
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccnc2)n2nc(SCC(=O)c3ccc(C)cc3)nc2N1,C33085453_decoy,GCR,Decoy,0,-11.0347,10.01,-3.65,-0.4709297575137728
CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C[C@@H]2CCCO2)[C@@H]4C(=O)N[C@H]2CCCC[C@@H]2C)cc1,C33707599_decoy,GCR,Decoy,0,-6.91791,7.79,-4.17,0.2852268844673617
Cc1cc(C)n(-c2nc(N(NCc3ccccc3)Nc3ccccc3)c3c4c(sc3n2)COC(C)(C)C4)n1,C34786339_decoy,GCR,Decoy,0,-8.20821,-3.54,-2.51,-4.04275442603939
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C,C34846996_decoy,GCR,Decoy,0,-11.5013,-2.89,-4.54,-5.003617971969726
COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)[C@@H]4C(=O)NC2CCCCC2)cc1,C34855108_decoy,GCR,Decoy,0,-7.30289,-4.23,-2.44,-3.676034425109324
COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(C2CCCCC2)[C@@H]4C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1,C34859702_decoy,GCR,Decoy,0,-7.32407,5.88,-4.0,-0.4478360507135082
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cc1,C34900275_decoy,GCR,Decoy,0,-7.89209,-4.0,-2.92,-3.964452908094535
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1,C34900775_decoy,GCR,Decoy,0,-7.45424,-4.18,-3.04,-4.053382460795361
CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C,C36066219_decoy,GCR,Decoy,0,-11.4721,-5.0,-1.47,-5.850263108872779
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C,C36066220_decoy,GCR,Decoy,0,-10.4561,-3.16,-1.98,-4.79420556278898
O=C(NC1CCCCC1)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)c1cccc(O)c1O)c1cccc(Cl)c1,C36485139_decoy,GCR,Decoy,0,-9.30072,-3.86,-2.72,-4.525228438373963
O=C(NC1CCCCC1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)c1cccc(O)c1O)c1ccccc1Cl,C36545450_decoy,GCR,Decoy,0,-9.42645,-3.49,-3.06,-4.365130806445742
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)c1,C39836411_decoy,GCR,Decoy,0,-8.92534,-2.31,-4.39,-3.4582119928097605
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C(C)(C)C)C3)cc1,C39836483_decoy,GCR,Decoy,0,-9.3222,35.35,-5.33,8.476540609635295
Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)c1,C39836512_decoy,GCR,Decoy,0,-7.59958,-4.56,-4.24,-4.421093122110335
Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)c1,C39836514_decoy,GCR,Decoy,0,-6.96969,-3.36,-5.53,-3.336013123991063
CCOc1ccc(-n2c(N/N=C/c3ccc(O)cc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C40036803_decoy,GCR,Decoy,0,-8.11316,-4.46,-4.48,-4.111618693377802
Cc1cc(C)cc(NC(=O)[C@H](CC(C)C)N2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3C)c1,C40426492_decoy,GCR,Decoy,0,-6.25059,-5.1,-3.61,-4.304579352368926
CC(C)OC(=O)c1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCCC2,C03013006_decoy,GCR,Decoy,0,-8.35298,-4.31,-4.35,-4.361740939869515
Cc1cccc(Oc2cc(NC(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)cc([N+](=O)[O-])c2)c1,C01299896_decoy,GCR,Decoy,0,-10.1609,-3.36,-9.65,-5.4881016219299
O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2,C01317393_decoy,GCR,Decoy,0,-10.2388,-4.27,-7.26,-5.264108244151129
O=C(CNc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(O)cc1O,C01434371_decoy,GCR,Decoy,0,-11.7689,-8.72,-2.1,-8.135565169296548
COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(Br)c(O)c(O)c1O,C01435026_decoy,GCR,Decoy,0,-13.8954,-8.04,-2.56,-11.735685531416085
O=C(Nc1c(F)cc(F)cc1Br)c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F,C01870351_decoy,GCR,Decoy,0,-12.1915,-2.74,-2.35,-5.55595184100111
CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C#N)C1,C22861034_decoy,GCR,Decoy,0,-11.2445,-3.74,-2.62,-4.916052201341612
Cc1cc(C)nc(/N=C(/NC(=S)Nc2ccc(F)cc2)N2CCN(c3nsc4ccccc34)CC2)n1,C14161414_decoy,GCR,Decoy,0,-6.81374,-3.28,-4.34,-3.142701872283536
CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4sc(-c5ccccc5)cc4C(N)=O)c(=O)c23)C1,C01784924_decoy,GCR,Decoy,0,-12.3407,-8.73,-4.44,-9.62253705755987
Cc1ccccc1/C=N/n1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21,C02207905_decoy,GCR,Decoy,0,-7.80679,-4.62,-2.92,-4.186182835072311
Cc1ccc2nc(NC(=O)CSc3nnc(NC(=O)Nc4ccc(Cl)cc4)s3)sc2c1,C09324313_decoy,GCR,Decoy,0,-11.0666,-5.06,-3.8,-5.249221741488525
Cc1ccc(/C=N/n2c(N)c(C(=O)N[C@@H](C)CCc3ccccc3)c3nc4ccccc4nc32)cc1,C02371596_decoy,GCR,Decoy,0,-7.21193,-4.53,-2.08,-3.5726361062369416
CNc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-],C09664822_decoy,GCR,Decoy,0,-10.8069,-4.11,-3.79,-5.2440428409506925
CCOc1cc([C@H]2NC(=S)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)Nc2cc(C)on2)ccc1O,C10361947_decoy,GCR,Decoy,0,-6.81507,-1.02,-2.23,-2.56021309750707
NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1,C09346590_decoy,GCR,Decoy,0,-12.5964,-4.12,-1.31,-5.14201195521725
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1,C12381400_decoy,GCR,Decoy,0,-12.005,-2.08,-1.11,-4.414790321952084
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1,C12381401_decoy,GCR,Decoy,0,-10.6974,-2.13,-0.61,-3.9227062580084975
O=c1c2c(nc(NNC(=S)NCc3ccco3)n1-c1ccccc1)-c1ccccc1CC21CCCCC1,C12436937_decoy,GCR,Decoy,0,-12.7766,-7.63,-3.85,-9.235565380746618
O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1cccc(O)c1,C12703702_decoy,GCR,Decoy,0,-9.54375,-3.2,-4.27,-4.447017513406305
O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2,C12847468_decoy,GCR,Decoy,0,-8.0886,-9.79,-4.23,-6.675095053302759
C[C@@H]1CCc2sc(-c3nnc(SCc4nc(N)nc(Nc5ccc(F)cc5)n4)o3)cc2C1,C12864136_decoy,GCR,Decoy,0,-11.4543,-3.32,-2.9,-5.007139411040747
NS(=O)(=O)c1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1,C02974680_decoy,GCR,Decoy,0,-12.2679,-3.84,-5.05,-5.04800844788597
CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br,C13977100_decoy,GCR,Decoy,0,-8.99568,-6.17,-2.88,-9.045009184542227
COc1c(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc2ccccc2c1Br,C14275266_decoy,GCR,Decoy,0,-11.6774,-9.29,-2.6,-9.030797329513788
CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1,C14655753_decoy,GCR,Decoy,0,-11.3931,-8.03,-3.92,-9.788935415397544
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nc3sc4c(c3c2=O)CCCC4)cc1,C02695751_decoy,GCR,Decoy,0,-8.20728,-5.9,-4.65,-4.394910873331547
CC[C@H](C)[C@H](NC(=O)Nc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,C16572387_decoy,GCR,Decoy,0,-6.70461,-3.65,-2.42,-3.323783515770101
CC[C@H](C)[C@@H](NC(=O)Nc1c(C)cccc1C)C(=O)Nc1nnc(-c2cccc(Cl)c2)s1,C16572687_decoy,GCR,Decoy,0,-11.5551,-3.33,-3.87,-5.519503229193508
C[C@H](c1ccccc1)n1c(SCc2nc(N)nc(Nc3ccccc3)n2)nc2ccccc2c1=O,C20065470_decoy,GCR,Decoy,0,-9.066,-8.66,-3.07,-5.816329905876102
Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc1,C21969334_decoy,GCR,Decoy,0,-8.47139,-4.17,-3.97,-4.60350194096549
Nn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccc(OC(F)F)cc1,C23648577_decoy,GCR,Decoy,0,-12.1155,-6.5,-3.7,-7.503613066745298
FC(F)(F)c1ccc2c(NC3CCC(Nc4ncnc5[nH]cnc45)CC3)ncc(-c3ccsc3)c2n1,C24904310_decoy,GCR,Decoy,0,-10.6662,-4.44,-0.49,-5.036038698486053
CCCOC(=O)c1c(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)sc2c1CC[C@H](C)C2,C27489247_decoy,GCR,Decoy,0,-13.4906,-4.06,-4.99,-4.060779695192133
O=C(Nc1ccc(F)c(F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1,C34906130_decoy,GCR,Decoy,0,-10.3596,0.31,-3.41,-6.215133668971403
CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)[C@H](C)C1,C35004613_decoy,GCR,Decoy,0,-7.8819,-3.45,-1.37,-3.974605044611562
CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1,C35004854_decoy,GCR,Decoy,0,-11.2139,6.32,-3.76,-1.7420563949321428
CC[C@H](C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1,C35004855_decoy,GCR,Decoy,0,-11.1264,-0.18,-3.55,-6.261400825750812
CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,C35724729_decoy,GCR,Decoy,0,-7.3336,-2.68,-3.14,-3.3909630442548915
CC[C@H](C)[C@@H](NC(=O)Nc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(C)cc2)s1,C35724921_decoy,GCR,Decoy,0,-7.98695,-3.34,-3.21,-3.992503393545555
O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1,C14475668_decoy,GCR,Decoy,0,-10.9954,-10.52,-2.08,-9.31844877268437
Cc1cc(C)nc(N/C(=N\C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2cnc3ccccc3c2)n1,C14159405_decoy,GCR,Decoy,0,-11.487,-3.04,-4.35,-5.070103858407678
CC1=C(C(N)=O)[C@@H](c2cc(Br)ccc2OCc2ccc(C(C)(C)C)cc2)N2NN=NC2=N1,C27563802_decoy,GCR,Decoy,0,-10.2931,-4.62,-1.01,-5.09463262348967
Cc1ccc(N[C@@H]2[C@H](C#N)C3=C(COC(C)(C)C3)C3=NN[C@H](SCc4nc5ccccc5[nH]4)N32)cc1,C38752558_decoy,GCR,Decoy,0,-10.658,-4.25,-2.64,-4.766547157059271
CCOC(=O)c1c(Cn2cncn2)cc2cc(-c3ccccc3O)c(O)cc2c1-c1cccc(O)c1,C39499881_decoy,GCR,Decoy,0,-5.87096,-4.56,-4.23,-3.4194441039155463
CCc1ccc(Nc2sc3c(-c4ccccc4)c(C#N)c(N)nc3c2C(=O)N2CCCCC2)cc1,C39895333_decoy,GCR,Decoy,0,-7.58142,-3.4,-4.04,-3.691701316340444
CCc1ccc(Nc2sc3c(-c4ccc(C)cc4)c(C#N)c(N)nc3c2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1,C39895387_decoy,GCR,Decoy,0,-5.64377,-4.1,-5.94,-3.2430561376821503
Nc1c(Nc2nc3ccccc3s2)ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1,C40729778_decoy,GCR,Decoy,0,-11.9553,-6.91,-1.47,-7.4741532519938705
Cc1cc(C)c2c(CC(=O)N/N=C3\CCCc4oc(C(=O)NNc5ccccc5)c(C)c43)coc2c1,C40826943_decoy,GCR,Decoy,0,-12.8367,-4.39,-1.98,-5.508807459017588
CCc1ccccc1NC(=O)Cn1nc(SC)c(-c2nc(-c3ccc(Cl)cc3)no2)c1N,C46914948_decoy,GCR,Decoy,0,-10.5838,-8.83,-3.6,-12.875685010029022
Cc1ccc(S(=O)(=O)c2c(N)n(/N=C/c3ccccc3O)c3nc4ccccc4nc23)cc1C,C01273610_decoy,GCR,Decoy,0,-9.65257,-7.91,-4.36,-6.229207781078252
CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OCc5ccccc5)cc4)c32)cc1,C09292711_decoy,GCR,Decoy,0,-10.8955,-3.28,-2.27,-4.696793138096787
COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCSC)N[C@]12C(=O)Nc1c(Cl)cccc12,C57142816_decoy,GCR,Decoy,0,-10.9711,-2.53,-1.21,-4.445009346283894
O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2Cl)n1)Nc1ccccc1Br,C59014451_decoy,GCR,Decoy,0,-12.1346,-8.46,-5.29,-7.534334306197005
Cc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)ccc1Br,C59014567_decoy,GCR,Decoy,0,-12.6279,-8.84,-2.26,-7.868071807258374
O=C(CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)Nc1c(Cl)cccc1Cl,C59015513_decoy,GCR,Decoy,0,-11.8191,-8.24,-2.33,-7.7834380501925615
C/C(=N/Nc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n[nH]1)c1ccc2ccccc2c1,C59022252_decoy,GCR,Decoy,0,-10.1173,-7.62,-2.86,-5.854904999555205
O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)Nc1ccccc1,C59310214_decoy,GCR,Decoy,0,-12.0543,-8.32,-2.64,-8.211226465058399
CCc1sc2[nH]c(S[C@H](C)C(=O)Nc3cc(C=O)ccc3O)nc(=O)c2c1-c1cccs1,C62038772_decoy,GCR,Decoy,0,-10.6466,-9.72,-3.75,-11.860395110796816
COC(=O)c1c(NC(=O)c2sc3nc(C(F)F)cc(C)c3c2N)sc2c1CC[C@@H](C(C)(C)C)C2,C08444955_decoy,GCR,Decoy,0,-9.21725,-3.04,-2.76,-3.902721372387192
COc1ccc(-c2csc(N(NC(=O)Nc3ccc(C)cc3)C(=O)Nc3ccc(C)cc3)n2)cc1,C01415246_decoy,GCR,Decoy,0,-7.80087,-2.87,-4.71,-3.601605607517397
CCc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3Br)o2)n1,C08896190_decoy,GCR,Decoy,0,-10.0557,-8.82,-4.03,-8.311238831842479
COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1,C08995752_decoy,GCR,Decoy,0,-10.5511,-8.39,-2.22,-7.838099113568579
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1,C02356434_decoy,GCR,Decoy,0,-11.6461,-4.98,-3.05,-5.26242459277479
CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1,C09836200_decoy,GCR,Decoy,0,-7.41271,-4.27,-3.91,-3.5876714221130204
Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl,C03314371_decoy,GCR,Decoy,0,-10.1171,-7.09,-4.22,-6.194742367284659
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1,C12860484_decoy,GCR,Decoy,0,-11.7289,-1.08,-1.41,-4.627255389638922
CC[C@@H](C)[C@@H](NC(=O)NC1CCCCC1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,C16572316_decoy,GCR,Decoy,0,-9.82958,-1.96,-5.08,-4.659915312952899
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1,C16572374_decoy,GCR,Decoy,0,-7.83233,-3.23,-2.24,-3.6761842151583504
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C)cc1C)C(=O)Nc1nnc(-c2cccc(Br)c2)s1,C16573746_decoy,GCR,Decoy,0,-8.40779,-3.47,-2.05,-3.724866785975336
Nc1c(C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccs2)ccc2c1C(=O)c1ccccc1C2=O,C18170091_decoy,GCR,Decoy,0,-6.61576,-5.08,-3.28,-4.2817170669105975
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1C,C14475662_decoy,GCR,Decoy,0,-5.97287,-5.75,-2.3,-3.4273025736198584
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2O)N3)cc1C,C20708791_decoy,GCR,Decoy,0,-11.2647,-0.99,-2.06,-3.870740257709568
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@H](c2cc([N+](=O)[O-])ccc2O)N3)c1,C14475867_decoy,GCR,Decoy,0,-11.1532,-5.44,-2.53,-5.2294960553791405
O=C(CCSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1nc2ccc(Br)cc2s1,C20837773_decoy,GCR,Decoy,0,-11.7732,-8.84,-4.43,-9.83426829195273
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc([N+](=O)[O-])c1O,C20883434_decoy,GCR,Decoy,0,-6.21587,-3.9,-3.44,-3.248954468600271
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2N)cc1,C20969656_decoy,GCR,Decoy,0,-10.8385,-4.26,-1.45,-5.567341863936629
C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1N)C(=O)Nc1ccc(OC(F)(F)F)cc1,C21251376_decoy,GCR,Decoy,0,-9.81163,-5.86,-2.09,-6.807869541890415
COc1cccc(Nc2nnc(S[C@@H](C)C(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)s2)c1,C21399556_decoy,GCR,Decoy,0,-11.7144,-4.34,-2.71,-5.818536063994839
COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1NC(=O)NNc1c(Cl)cccc1Cl,C03135339_decoy,GCR,Decoy,0,-9.82595,-8.61,-2.45,-8.896749757235334
CCCCC1=Nc2sc3c(c2[C@H](SCC(=O)Nc2ccccc2Cl)N1N)CC(C)(C)OC3,C26961092_decoy,GCR,Decoy,0,-8.79786,-3.92,-2.97,-3.976342606963436
O=C(N/N=C/c1cc(Br)ccc1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1,C03148948_decoy,GCR,Decoy,0,-9.74523,-3.95,-3.67,-4.028265836653404
Cc1ccc(-n2c(SCC(=O)NNC(=O)NC3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1,C09090493_decoy,GCR,Decoy,0,-12.9853,-8.22,-4.62,-12.72036226592996
COc1ccc(S(=O)(=O)c2c(Nc3ccc(C)cc3)sc(C(=O)c3ccc(Cl)cc3)c2N)cc1,C33058448_decoy,GCR,Decoy,0,-11.1006,-3.44,-5.06,-5.009169773172439
COc1ccc(S(=O)(=O)c2c(Nc3cc(C)ccc3C)sc(C(=O)c3ccc(F)cc3)c2N)cc1,C33058462_decoy,GCR,Decoy,0,-9.0599,-3.75,-4.78,-4.395677640931986
O=C(Nc1cccc2ccccc12)N[C@@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccccc2)n1,C34906073_decoy,GCR,Decoy,0,-11.0126,-4.39,-4.26,-7.978703544422845
Cc1cc(C)cc(OCc2nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)NC3CCCCC3)cs2)c1,C34906223_decoy,GCR,Decoy,0,-8.59759,-4.3,-3.82,-4.5721762177114575
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1nnc(-c2ccc(C)cc2)s1,C35268315_decoy,GCR,Decoy,0,-11.6098,-0.89,-1.89,-4.485358297456315
CC[C@H](C)[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)[C@H](C)C1,C35688326_decoy,GCR,Decoy,0,-7.59777,43.18,-3.63,12.458322123184342
CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1,C35724660_decoy,GCR,Decoy,0,-7.54839,-2.55,-5.0,-3.569800162354209
CC(C)(C)NC(=O)[C@@H](c1c(Cl)cccc1Cl)N(C(=O)c1c(O)cccc1O)c1cccc(Cl)c1,C36484938_decoy,GCR,Decoy,0,-11.1477,-3.15,-2.68,-4.997348780623238
O=C(NC1CCCCC1)[C@H](c1ccc2c(c1)OCO2)N(C(=O)c1c(O)cccc1O)c1cccc(Cl)c1,C36485004_decoy,GCR,Decoy,0,-9.11931,-4.56,-4.66,-4.753003747237961
O=C(NC1CCCCC1)[C@@H](C1CCCCC1)N(C(=O)c1cccc(O)c1O)c1ccccc1Cl,C36545329_decoy,GCR,Decoy,0,-10.0531,-4.42,-2.39,-5.187773408321226
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21,C02212557_decoy,GCR,Decoy,0,-6.25963,-4.48,-4.52,-3.3469284381999667
Cc1ccc(S(=O)(=O)c2c(Nc3cc(C)ccc3C)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,C08609758_decoy,GCR,Decoy,0,-9.6597,-6.05,-5.14,-5.47970784755821
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@H]1O,C38564949_decoy,GCR,Decoy,0,-6.47302,-2.58,-5.29,-2.5135629464722724
CCc1ccccc1N1N[C@H](C(=O)NCCn2c(=O)[nH]c3ccccc32)C=C1c1ccc2c(c1)CCCC2,C39302156_decoy,GCR,Decoy,0,-10.512,-3.61,-3.63,-4.594485026340239
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)S1)C2,C33568216_decoy,GCR,Decoy,0,-12.433,15.09,-3.07,1.081973841164512
CCc1ccc(Nc2sc3c(-c4ccc(C)cc4)c(C#N)c(N)nc3c2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1,C39895385_decoy,GCR,Decoy,0,-5.97343,-3.26,-4.81,-2.7237991752577524
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(Br)ccc2O)cc1,C03144520_decoy,GCR,Decoy,0,-12.1688,-4.69,-3.21,-5.551255750847064
Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1,C58961267_decoy,GCR,Decoy,0,-12.9711,-9.15,-3.83,-11.779575026459115
O=C(CSc1n[nH]c(N/N=C/c2cccc(Cl)c2Cl)n1)Nc1ccc(Cl)cc1Cl,C59015782_decoy,GCR,Decoy,0,-11.145,-7.53,-3.38,-7.019591085959711
C/C(=N/Nc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccc2ccccc2c1,C59022326_decoy,GCR,Decoy,0,-13.4192,3.33,-1.95,-4.052141588297878
O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl,C59294181_decoy,GCR,Decoy,0,-12.0751,-5.65,-4.75,-5.794910485809733
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc4ccc5cccc6ccc3c4c56)n2)c(C)c1,C59310229_decoy,GCR,Decoy,0,-12.8087,-9.43,-2.73,-9.183705631760462
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc4ccc5cccc6ccc3c4c56)n2)c(F)c1,C59310277_decoy,GCR,Decoy,0,-10.4943,-9.22,-2.74,-7.619057549791651
CCc1sc2[nH]c(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3O)nc(=O)c2c1-c1cccs1,C62038607_decoy,GCR,Decoy,0,-11.1708,-7.9,-3.29,-10.683958024419212
C[C@H](Sc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(=O)Nc1cc(C=O)ccc1O,C62038737_decoy,GCR,Decoy,0,-9.75159,-3.92,-2.56,-4.508609634573799
CCOc1ccc(C2=NN=C3OC(N)=C(C#N)[C@H](c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[C@H]32)cc1,C09357906_decoy,GCR,Decoy,0,-5.34572,-3.16,-3.09,-2.902232813636682
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1,C02532021_decoy,GCR,Decoy,0,-12.2926,-9.61,-3.79,-10.80992793640806
CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1,C02188100_decoy,GCR,Decoy,0,-11.5231,-2.69,-2.0,-4.491172590363573
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1,C08714018_decoy,GCR,Decoy,0,-11.2425,-9.91,-2.28,-9.462188528800564
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1,C08897037_decoy,GCR,Decoy,0,-13.0881,-3.75,-0.83,-6.054888885073065
CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc(Br)ccc2Cl)CC1,C08897407_decoy,GCR,Decoy,0,-10.1066,-5.46,-1.12,-6.610243098749755
Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2sc3c(c2C#N)CCCC3)c1,C09250114_decoy,GCR,Decoy,0,-11.5914,-5.68,-4.61,-7.644796394400984
CC(C)(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)cc1,C09374853_decoy,GCR,Decoy,0,-11.7871,-2.67,-4.56,-4.785870409607871
C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O,C03374078_decoy,GCR,Decoy,0,-4.81469,-6.53,-1.66,-3.6020719981362843
CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CCCC2,C00949675_decoy,GCR,Decoy,0,-9.11931,-5.09,-2.05,-4.960458097433775
CC(/C=C1\SC(=S)N(CC(=O)NNC(=O)c2ccc(Br)cc2)C1=O)=C\c1ccccc1,C12278503_decoy,GCR,Decoy,0,-7.33225,-7.12,-4.33,-5.154806538925437
O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1,C12486479_decoy,GCR,Decoy,0,-11.2473,-3.76,-2.52,-5.66985826608342
CC(=O)c1ccc(NC(=S)NC(=O)COc2c(C)cc(Br)cc2Br)cc1,C12498926_decoy,GCR,Decoy,0,-12.3974,-8.4,-2.39,-8.94305659956994
Cc1cc(C)c(C(N)=O)c(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)n1,C13076301_decoy,GCR,Decoy,0,-8.93339,-7.4,-2.35,-5.473021727909584
O=C(NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21)c1ccccc1O,C05486486_decoy,GCR,Decoy,0,-9.47981,-4.61,-3.5,-4.983996444314793
N#C/C(C(N)=O)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(Br)cc1,C13806222_decoy,GCR,Decoy,0,-12.3972,-3.58,-4.43,-4.97321358595612
COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c(F)c1F,C14274864_decoy,GCR,Decoy,0,-11.4111,-3.45,-1.06,-4.705522062575572
Cc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)c(Br)c1,C14643218_decoy,GCR,Decoy,0,-10.0334,-7.45,-2.93,-8.92063088233833
CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br,C14652858_decoy,GCR,Decoy,0,-11.706,-2.66,-0.96,-5.084101449722297
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1cccc(I)c1,C03084149_decoy,GCR,Decoy,0,-9.66778,-7.03,-2.64,-7.1016544073175005
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)c(Br)o1,C03085128_decoy,GCR,Decoy,0,-10.9655,-6.4,-1.78,-7.014178327121456
O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(I)cc1,C16400874_decoy,GCR,Decoy,0,-12.064,-3.73,-0.94,-4.980418211667265
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cc(CN3CCOCC3)cs2)C2=C1CC(C)(C)CC2=O,C12372457_decoy,GCR,Decoy,0,-7.54303,-2.5,-4.78,-3.094095075665414
Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=S)NC(=O)c3ccccc3F)CC2)cc1,C20498763_decoy,GCR,Decoy,0,-11.0325,-2.83,-3.32,-4.377589996177325
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)Nc1ccc(Br)cc1,C20605317_decoy,GCR,Decoy,0,-9.34076,-4.96,-2.83,-4.940082255560613
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4F)CC3)cc2)cc1Cl,C20980315_decoy,GCR,Decoy,0,-12.1982,-3.83,-1.49,-4.96066463952682
O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc(I)cc1,C23485871_decoy,GCR,Decoy,0,-10.2099,-8.06,-3.56,-12.79996745433422
CC(C)n1nc(COC(N)=O)c(Cc2ccncc2)c1Sc1cc(Cl)cc(Br)c1,C32139043_decoy,GCR,Decoy,0,-11.7309,-7.8,-3.78,-11.417771860505852
O=C1N[C@@H](c2ccc(F)c(Br)c2)C(=O)N1C[C@@H](O)COc1cc(Cl)ccc1Cl,C32932981_decoy,GCR,Decoy,0,-9.8236,-8.27,-5.04,-8.669863618760148
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1)c1ccccc1,C34899460_decoy,GCR,Decoy,0,-10.0719,-4.04,-1.45,-4.591801340023737
O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1)c1ccccc1,C34899474_decoy,GCR,Decoy,0,-5.74411,-3.79,-1.52,-3.2000898066063086
O=C(N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cccc(Br)c1)c1ccc(F)cc1,C34899949_decoy,GCR,Decoy,0,-10.3006,-3.16,-1.07,-4.557627504998412
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1,C34900559_decoy,GCR,Decoy,0,-5.65496,0.64,-3.68,-1.6141993501141332
O=C(N[C@H]1CCCC[C@H]1NC(=O)c1cccc2ccccc12)c1csc(COc2ccccc2F)n1,C35957250_decoy,GCR,Decoy,0,-7.43025,-4.04,-5.48,-3.694492086026032
C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)Nc1nc2ccc(F)cc2s1,C24761638_decoy,GCR,Decoy,0,-12.4177,-7.97,-2.43,-8.419128681050864
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OCc2c(F)cccc2Cl)cc1,C01089501_decoy,GCR,Decoy,0,-7.09178,-3.65,-4.15,-3.4662478241360457
CC1=CC(=O)[C@@H](C(=O)NCc2nc3ccccc3[nH]2)[C@H]2C[C@@H](c3ccsc3)Sc3ccccc3N12,C39429999_decoy,GCR,Decoy,0,-12.2986,-4.25,-5.0,-5.32765669510242
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1,C39836473_decoy,GCR,Decoy,0,-9.11926,6.02,-5.21,-1.0044568725981795
CCC[C@H]1Nc2ccc(Br)cc2C(=O)N1NC(=O)COc1ccc(Br)cc1,C39920451_decoy,GCR,Decoy,0,-11.1025,-1.14,-2.19,-4.850678512411855
O=C(Cn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21)Nc1ccc(Br)cc1,C40300337_decoy,GCR,Decoy,0,-10.8513,-8.94,-2.0,-8.866527671790886
Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)N(Cc2ccco2)C3=O)cc1Cl,C39914594_decoy,GCR,Decoy,0,-5.28753,4.64,-2.59,-0.1775610817222584
Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(=O)c1ccc(Cl)cc1Cl)CCC2,C40813766_decoy,GCR,Decoy,0,-14.0731,22.34,-4.69,3.418471080171282
CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@](C(=O)[O-])(c1ccccc1)[NH2+][C@H]2c1ccc(/C=C/c2ccccc2)cc1,C44173485_decoy,GCR,Decoy,0,-5.55488,-1.97,-2.07,-2.439777117491696
CCc1ccc(Cl)c(CC)c1NC(=O)CN1C(=O)N[C@](C)(c2cccc(Br)c2)C1=O,C45629924_decoy,GCR,Decoy,0,-10.7937,-3.91,-2.4,-4.887743599432885
[H]/N=C1\S/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1cccc(C)c1,C15053161_decoy,GCR,Decoy,0,-8.14393,-8.5,-4.19,-5.701326470480962
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CC1,C57316273_decoy,GCR,Decoy,0,-12.3224,21.94,-5.52,3.648396022740936
COc1ccc(C(=O)NNC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1Br,C12490329_decoy,GCR,Decoy,0,-11.1071,-5.97,-3.46,-8.316142166632217
CNc1nc(N/N=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)ncc1F,C59640180_decoy,GCR,Decoy,0,-11.3744,-9.76,-2.65,-9.909649672451865
CSc1ccc(CCNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1,C64817009_decoy,GCR,Decoy,0,-11.4083,-3.94,,99.0
Cc1ccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(Br)c1,C65077386_decoy,GCR,Decoy,0,-10.3105,-5.46,-4.75,-5.367334873980892
Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(Br)c1,C65077889_decoy,GCR,Decoy,0,-10.4936,-5.3,-2.94,-5.442006587047348
[H]/N=C1\C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N21,C02396702_decoy,GCR,Decoy,0,-13.6412,-3.73,-2.29,-5.700643728768606
Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc12,C00914793_decoy,GCR,Decoy,0,-10.4638,-5.35,-2.78,-5.688511602095992
Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2,C00995823_decoy,GCR,Decoy,0,-11.9184,-3.51,-3.19,-5.49671772338611
C[C@H](NC(=O)/C(C#N)=c1\s/c(=C/c2ccc(-c3ccccc3)o2)c(=O)n1-c1ccccc1)c1ccccc1,C08828082_decoy,GCR,Decoy,0,-6.3826,-2.45,-4.07,-2.7397796108466546
O=C(CSc1nc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cs1)Nc1ccc(Cl)cc1,C08852632_decoy,GCR,Decoy,0,-10.4431,-3.48,-4.43,-4.691355087891372
CS(=O)(=O)c1ccc2nc(NC(=O)Cc3csc(SCc4ccc(Cl)cc4)n3)sc2c1,C08854470_decoy,GCR,Decoy,0,-11.8787,-3.56,-2.15,-5.816843707525142
Cc1ccc(NC(=O)c2sc3ncn(CC(=O)c4ccc(Br)cc4)c(=O)c3c2C)c(C)c1,C08898057_decoy,GCR,Decoy,0,-11.8932,-3.62,-2.68,-5.124708323083823
O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,C08900736_decoy,GCR,Decoy,0,-10.2615,-3.92,-4.93,-4.695850929131739
Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCc4ccc(C(F)(F)F)cc4)s3)CC2=O)cc1C,C08909257_decoy,GCR,Decoy,0,-11.8579,-6.37,-4.18,-6.399927570007934
O=C(/C=C/c1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21,C08921215_decoy,GCR,Decoy,0,-11.7466,-3.88,-2.87,-5.281869708446748
COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(N(C)C)cc2)cc1,C09081142_decoy,GCR,Decoy,0,-11.3284,-2.2,-4.75,-4.507083533656383
CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1,C01836467_decoy,GCR,Decoy,0,-8.372,-4.25,-4.13,-4.322377249541418
Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1,C09432153_decoy,GCR,Decoy,0,-8.08436,-3.54,-1.63,-4.104469432462183
O=C(NCc1ccco1)C1CCC(Cn2c(SCc3ccccc3F)nc3ccccc3c2=O)CC1,C02974026_decoy,GCR,Decoy,0,-12.0861,-4.74,-3.97,-6.081625152499421
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1,C09599654_decoy,GCR,Decoy,0,-11.9579,-3.92,-2.4,-5.36074751802615
O=C(Nc1sccc1-c1nc2ccccc2s1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1,C10695328_decoy,GCR,Decoy,0,-6.81425,-9.27,-1.97,-5.403466338088734
CCOC(=O)c1c(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)sc(C)c1C,C12639972_decoy,GCR,Decoy,0,-11.304,-5.66,-3.77,-6.088003878878924
O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl,C01328795_decoy,GCR,Decoy,0,-9.70508,-3.73,-2.88,-4.527833590753772
O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1c(F)cc(F)cc1Br,C13514369_decoy,GCR,Decoy,0,-11.1656,-3.37,-3.94,-4.737080337465699
COc1cc(/C=C2/SC(N(C(C)=O)c3ccc(C)cc3)=NC2=O)cc(I)c1O,C13915404_decoy,GCR,Decoy,0,-10.2233,-4.75,-3.9,-4.752391325538598
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)c1cccs1,C13941015_decoy,GCR,Decoy,0,-12.816,-3.92,-6.63,-5.6361998883622775
CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)[C@@H](Cl)CC(Cl)(Cl)Cl)C2=O)cc1,C01091673_decoy,GCR,Decoy,0,-11.5619,-3.29,-3.4,-5.061684703612789
CC(C)N1C(=O)S/C(=C/c2ccc(OCCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O,C16575399_decoy,GCR,Decoy,0,-11.111,-6.94,-3.04,-8.07604556991574
O=S(=O)(NCCc1csc2nc(-c3ccccc3)nn12)c1ccc(I)cc1,C17192327_decoy,GCR,Decoy,0,-10.9722,-8.95,-3.92,-9.563115374415636
O=[N+]([O-])c1ccc(N2CCN(CC#CC[C@@](O)(c3ccccc3)c3ccccc3Br)CC2)cc1,C19972546_decoy,GCR,Decoy,0,-10.0323,-4.07,-3.12,-4.5982116534470014
CN1CCc2nc(SCC(=O)Nc3ccccc3OC(F)(F)F)c(C#N)c(-c3ccsc3)c2C1,C20065199_decoy,GCR,Decoy,0,-11.6134,-2.76,-3.75,-4.847129339414042
CC1=C(C(=O)OCC(C)C)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1,C09985924_decoy,GCR,Decoy,0,-6.28759,-3.54,-4.06,-3.313432707741174
CC1(C)CC(=O)C2=C(C1)N(C[C@H]1CCCO1)C(=O)[C@]2(NC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F,C20568295_decoy,GCR,Decoy,0,-9.22094,-2.52,-3.97,-3.843386018831147
CC1CCN(c2ccc([C@@H](C)NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)CC1,C22331982_decoy,GCR,Decoy,0,-11.1983,-4.37,-2.71,-6.843748281617871
Cc1cc(N(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)S(C)(=O)=O)ccc1Br,C22365001_decoy,GCR,Decoy,0,-10.1836,-3.38,-2.99,-5.634916906367122
N#Cc1cccc(C(=O)N2CCC(Nc3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)c1,C24903608_decoy,GCR,Decoy,0,-11.7767,-5.25,-2.37,-5.685884663572844
Cc1ccc(C)c(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)=NC2=O)c1,C28160564_decoy,GCR,Decoy,0,-9.2308,-3.56,-3.27,-3.5797561647278133
S=c1[nH]nc(C2CCCCC2)n1/N=C/c1ccc(-n2nc(-c3ccccc3)cc2[C@H]2C=CC=CC2)cc1,C28302619_decoy,GCR,Decoy,0,-7.60266,-4.8,-4.66,-3.90275572752136
Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3Br)nc3ccccc3c2=O)cc1,C32577050_decoy,GCR,Decoy,0,-7.15291,-3.78,-2.66,-3.2571791579377183
CN1CCc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c(C#N)c(-c3ccsc3)c2C1,C33723648_decoy,GCR,Decoy,0,-12.6659,-0.36,-2.34,-5.128075980237671
COc1ccc(/C=C2\SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1,C33781280_decoy,GCR,Decoy,0,-12.5136,-9.05,-1.71,-13.13528974723499
Cc1ccc(CN2C(=O)/C(=C\c3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1,C33795841_decoy,GCR,Decoy,0,-7.68596,-5.22,-3.9,-7.332990032919782
CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1,C33807243_decoy,GCR,Decoy,0,-6.91617,-2.49,-4.03,-2.861475183908735
O=C(Nc1ccc(N2CCCN(C(=O)c3cccc(Br)c3)CC2)nc1)c1ccccc1Cl,C34680703_decoy,GCR,Decoy,0,-10.9025,-3.5,-1.58,-4.865748390734465
O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)nc1,C34680836_decoy,GCR,Decoy,0,-12.5963,-3.92,-2.99,-5.131505291623086
Cc1ccc(NC(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)CC2CC2)cc1,C36123813_decoy,GCR,Decoy,0,-10.5263,-3.46,-3.33,-5.055835457043281
O=C(N[C@H]1CCCc2ccccc21)[C@H](C1CCCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1,C36252491_decoy,GCR,Decoy,0,-10.5581,31.46,-2.15,7.193418716553623
CC(C)NC(=O)c1csc(COc2ccc3c(c2)[C@@H](c2cccc(F)c2)N(C(=O)C(C)(C)C)CC3)n1,C37602202_decoy,GCR,Decoy,0,-12.6809,12.74,-3.21,0.0250723723651712
Cc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCc4ccccc4C3)CC2=O)cc1C,C38666892_decoy,GCR,Decoy,0,-7.70089,-5.43,-3.19,-1.969325419719525
Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CCN(C(C)C)C4)cc1,C39869553_decoy,GCR,Decoy,0,-7.43951,-2.37,-4.96,-3.0703806629743564
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(C)cc4)s3)C2=O)cc1,C39885771_decoy,GCR,Decoy,0,-12.6357,-3.73,-4.14,-5.247307807451796
Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(F)c(C)c4)S3)[C@H](c3ccc(F)cc3)C2)cc1,C40484948_decoy,GCR,Decoy,0,-8.11973,-4.71,-2.05,-4.383822724124227
C[C@H](C(=O)N1CCSCC1)[C@@H]1CC[C@]2(C)Cc3sc(COC(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@@H]1O,C43549311_decoy,GCR,Decoy,0,-12.4139,-4.84,-3.57,-6.206490486192787
O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1,C49487452_decoy,GCR,Decoy,0,-7.20706,-2.33,-2.76,-2.5941367874178045
Cc1cc(C)c(CNC(=O)CSc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)c(C)c1,C59417629_decoy,GCR,Decoy,0,-10.8472,-5.29,-4.87,-5.974321603809954
Cc1cc(C)c2c(n1)sc1c(SCc3ccccc3)nc(C)nc12,C01127817_decoy,GCR,Decoy,0,-9.45822,-4.01,-2.77,-4.190499028637332
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@@H]2C1=C1CCCC1,C01213026_decoy,GCR,Decoy,0,-10.4253,-5.13,-0.51,-4.077746843633219
O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(Cl)c1Cl,C04589076_decoy,GCR,Decoy,0,-10.7295,-8.71,-1.97,-6.928334138154277
O=C1c2ccc(I)cc2C(=O)N1c1ccccc1Cl,C00994275_decoy,GCR,Decoy,0,-7.96903,-6.76,-0.27,-5.455976446787188
Cc1ccsc1/C=c1/sc2nc3c(Br)c(C)c(C)cc3n2c1=O,C00677462_decoy,GCR,Decoy,0,-10.6009,33.94,-1.1,6.430786609443352
O=C(CSC1=NCCS1)N1c2ccccc2Sc2ccccc21,C00852676_decoy,GCR,Decoy,0,-6.68652,-1.25,-2.76,-2.4304994862354112
Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(Cl)cc3)nc12,C04678203_decoy,GCR,Decoy,0,-10.4928,-2.75,-0.58,-3.620466576609815
Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12,C04678536_decoy,GCR,Decoy,0,-10.6058,-3.44,-0.69,-4.097142459822343
CCc1nc2c(c(N3CCCCC3)n1)C1(CCCCC1)Cc1ccccc1-2,C02227781_decoy,GCR,Decoy,0,-9.51481,-3.61,-1.03,-3.698818559658712
Cc1cc2nc3s/c(=C/c4ccc(Br)cc4)c(=O)n3c2cc1C,C04784886_decoy,GCR,Decoy,0,-10.0711,-2.94,-2.74,-3.2005310601531294
O=c1oc(-c2ccc(Br)cc2)nc2ccc(Br)cc12,C02365618_decoy,GCR,Decoy,0,-9.1078,-3.33,-0.43,-3.41096751268196
C[C@H](Sc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@@H]1C,C05034919_decoy,GCR,Decoy,0,-7.84308,-4.06,-3.4,-3.5327312169893563
O=c1oc2ccc(Br)cc2cc1-c1nc(C2CC2)cs1,C05100213_decoy,GCR,Decoy,0,-10.0379,-3.02,-0.72,-3.622299428247812
c1c2c(cc3c1OCCCO3)-c1cc(C34CC5CC(CC(C5)C3)C4)cn1CC2,C05425955_decoy,GCR,Decoy,0,-10.6558,-4.09,-1.76,-3.708034023741414
Cc1ccc(C(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1,C05543532_decoy,GCR,Decoy,0,-5.60601,-5.3,-1.66,-3.408278830933707
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1,C01967140_decoy,GCR,Decoy,0,-9.27073,-4.94,-4.73,-4.33990586653817
O=c1c(=C2SCCS2)sc2n1[C@@H](c1ccccc1)C=C(c1ccccc1)N=2,C06051858_decoy,GCR,Decoy,0,-5.10893,-3.55,-1.64,-2.4470918307904967
CN(Cc1ccc(Br)s1)C(=O)c1cc2ccccc2o1,C07980674_decoy,GCR,Decoy,0,-8.94023,-4.06,-0.75,-4.416514056767753
O=C1S/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1ccccc1,C04579287_decoy,GCR,Decoy,0,-10.3971,-10.32,-1.87,-8.521140656124773
C#CCn1/c(=N/C(=O)c2ccccc2Br)sc2cccc(C)c21,C08957633_decoy,GCR,Decoy,0,-8.65316,-4.32,-1.59,-4.120925661076031
C#CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(SC)ccc21,C09399781_decoy,GCR,Decoy,0,-10.5166,-2.78,-1.64,-3.973958548763565
CSc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1Br)n2C,C09520279_decoy,GCR,Decoy,0,-9.98763,-3.53,-3.34,-3.994583564024324
Cn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cccc(F)c21,C13106936_decoy,GCR,Decoy,0,-9.55439,-4.38,-2.35,-4.143617309727827
Cc1nc2sccn2c1C(=O)c1sc2cc(Cl)ccc2c1Cl,C13282788_decoy,GCR,Decoy,0,-11.0022,-8.24,-0.4,-11.576918089408691
CN1/C(=C\[C@H]2C(=O)C(C)(C)c3ccccc3N2C)C(C)(C)c2ccccc21,C12524232_decoy,GCR,Decoy,0,-9.02723,-4.02,-6.04,-3.276181657034888
Br/C(=C\c1cccc2ccccc12)n1nnc2ccccc21,C15783594_decoy,GCR,Decoy,0,-9.21587,-8.9,-0.75,-7.312424800937465
CN(C)c1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1Br,C16383014_decoy,GCR,Decoy,0,-8.96294,-3.28,-2.87,-3.745147723557393
Cc1cc(C)c(C2=NN(c3c(C)cc(C)cc3C)[C@@H]3C=CC=CN23)c(C)c1,C16923782_decoy,GCR,Decoy,0,-9.93332,-3.77,-1.88,-4.0259513439973045
Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=S)N32)cc1,C20606374_decoy,GCR,Decoy,0,-9.67543,-5.22,-0.17,-4.79103834192258
Cc1cccn2c(=O)cc(CSc3cc(Cl)ccc3Cl)nc12,C23223221_decoy,GCR,Decoy,0,-9.05905,-8.66,-1.14,-7.5525839007773
Cc1ccc(C(=O)/N=C2/C(C(C)C)=C(Cl)C(=O)[C@@](C)(Cl)[C@@H]2Cl)cc1,C26787248_decoy,GCR,Decoy,0,-9.97509,-3.14,-1.59,-4.050637367683569
N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(=O)c2ccccc2s1,C35482869_decoy,GCR,Decoy,0,-10.0702,-6.27,-0.79,-5.1646804321230535
CC(C)c1nc(N2CCc3ccccc3C2)c2c3c(sc2n1)C[C@H](C)CC3,C35552955_decoy,GCR,Decoy,0,-11.0044,-4.45,-4.74,-4.434965549605258
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1,C18120083_decoy,GCR,Decoy,0,-9.39669,-5.44,-2.2,-3.857485182204699
CSc1c2c(n(F)c1C)-c1nc3ccccc3c(Br)c1C(=O)CC2,C39457332_decoy,GCR,Decoy,0,-9.73298,-4.41,-0.56,-3.521921341238869
CSc1cc(Cl)cc(/C=C2\CCCn3c2nc2c(C)cccc2c3=O)c1,C39483187_decoy,GCR,Decoy,0,-11.3266,-3.68,-4.78,-4.222454279750976
C/C(=C1/SC(=O)N(c2cccc(C)c2C)C1=O)c1ccc(Br)cc1,C39859998_decoy,GCR,Decoy,0,-9.75484,-8.01,-3.26,-9.185287666864452
O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1c1cccc(Cl)c1,C39860614_decoy,GCR,Decoy,0,-10.1627,-9.22,-1.89,-7.97752785904383
O=c1c2ccccc2nc(S[C@@H]2CCCc3ccccc32)n1C1CC1,C46861415_decoy,GCR,Decoy,0,-8.72051,-6.54,-2.29,-8.52043313653622
O=C(/C=C\c1cc(Br)c2c(c1)OCCO2)c1cccs1,C48625056_decoy,GCR,Decoy,0,-9.28248,-7.41,-0.57,-6.325235249617965
O=C(Oc1cccnc1Br)c1cc(Cl)sc1Cl,C49018218_decoy,GCR,Decoy,0,-9.12045,-6.63,-0.24,-6.690597524605535
Cc1cc2ncn(-c3ncc(Br)cc3CCl)c2cc1C,C50043717_decoy,GCR,Decoy,0,-9.08999,-6.31,-2.79,-7.312700707790954
CC(C)c1cc(Cl)nc(-c2cc(Br)c(Br)o2)n1,C50358982_decoy,GCR,Decoy,0,-9.60148,-6.53,-1.42,-6.709877228209354
Clc1nc(Oc2ccccc2I)c2ccccc2n1,C52811384_decoy,GCR,Decoy,0,-8.72057,-8.4,-0.56,-9.962141370638363
Cc1cc(Br)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1Cl,C54363167_decoy,GCR,Decoy,0,-9.63063,-8.43,-0.87,-12.288940606490469
Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Cl)nc1Cl,C60246209_decoy,GCR,Decoy,0,-9.40198,-8.63,-2.68,-7.83161124489157
Clc1cc2c(cc1[C@@H](Cl)c1ccc(Br)cn1)OCCCO2,C61870630_decoy,GCR,Decoy,0,-9.92624,-6.91,-0.08,-7.49832053374702
O=C1CCN(C(=O)c2ccc(Br)cc2)c2ccc(Cl)cc21,C62546390_decoy,GCR,Decoy,0,-8.97106,-3.94,-2.48,-3.826338554145477
CC1=C(C)C[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]2C1,C13467580_decoy,GCR,Decoy,0,-9.13509,-3.08,-3.92,-3.213473120139807
O=c1cc(CSc2ccc(F)c(Cl)c2)nc2ccc(Cl)cn12,C67132557_decoy,GCR,Decoy,0,-10.1319,-7.01,-0.65,-6.627432285272173
O=c1oc2ccccc2cc1-c1nc(-c2ccc3ccccc3c2)cs1,C02964160_decoy,GCR,Decoy,0,-10.7827,-4.42,-1.09,-4.070333301254483
Brc1cc(Br)c2nc(-c3ccc4c(c3)OCO4)ccc2c1,C04051036_decoy,GCR,Decoy,0,-9.61328,-9.28,-0.61,-11.01978758824636
O=c1oc(-c2ccc(Br)cc2)nc2sc3c(c12)CCC3,C00349779_decoy,GCR,Decoy,0,-9.46062,-3.26,-0.26,-3.406346945935792
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C2=Nc3cccc4cccc(c34)N12,C04175991_decoy,GCR,Decoy,0,-11.1417,-4.71,-2.33,-3.046365731146292
COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCSCC1)CC2,C04222626_decoy,GCR,Decoy,0,-10.1401,-9.28,-2.61,-10.511210141158257
CC(C)(C)OC(=O)n1cc(Br)c2c(Br)cccc21,C02563790_decoy,GCR,Decoy,0,-8.40141,-6.31,-0.44,-7.082787530124413
Cc1nc(Oc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3,C04284341_decoy,GCR,Decoy,0,-8.81652,18.54,,99.0
Cc1ccc(C2=N/C(=C\c3cc(Br)cs3)C(=O)O2)cc1,C04588633_decoy,GCR,Decoy,0,-10.4717,-8.64,-1.13,-7.594680985273777
O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(Cl)c1Cl,C04589135_decoy,GCR,Decoy,0,-11.0271,-3.34,-1.33,-3.860411680372821
N#CC(C#N)=Cc1ccc(-c2cc(Br)ccc2Br)o1,C01407120_decoy,GCR,Decoy,0,-8.81925,-7.09,-0.73,-6.735872665121661
O=S1OC[C@@H]2[C@@H](CO1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl,C00900777_decoy,GCR,Decoy,0,-10.2097,-3.66,-1.85,-2.7389476014255187
Cn1c(-c2ccc(Br)cc2)cn2cc(-c3cccc(Cl)c3)nc12,C04678335_decoy,GCR,Decoy,0,-9.42461,-2.61,-0.27,-3.419189736718439
O=[N+]([O-])c1c(Br)cc(Br)cc1Br,C04829198_decoy,GCR,Decoy,0,-7.50002,-5.78,,99.0
O=C(c1ccc(Br)cc1)N1C(=S)C(c2ccccc2)=NC12CCCC2,C04892077_decoy,GCR,Decoy,0,-8.52385,-3.71,-1.0,-3.6066350771031175
O=C(/C=C/c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1,C04966504_decoy,GCR,Decoy,0,-9.41752,-4.01,-2.56,-4.035059812027952
C[C@@H](Sc1nc2ccccc2s1)C(=O)N1c2ccccc2C[C@@H]1C,C05034915_decoy,GCR,Decoy,0,-8.90404,-3.6,-0.99,-3.829655337585441
Cc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br,C01403903_decoy,GCR,Decoy,0,-8.6167,-7.88,0.17,-7.266300947779448
O=C1C(Cl)=C(Sc2nc3ccccc3s2)C(=O)c2ccccc21,C01576757_decoy,GCR,Decoy,0,-9.91286,-3.41,-1.15,-3.71930588288038
C[C@@H]1Cc2ccccc2N1C(=O)CSC1=Nc2ccccc2CS1,C06588118_decoy,GCR,Decoy,0,-10.1627,-8.95,-3.67,-8.488334755575519
CCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S,C01173930_decoy,GCR,Decoy,0,-10.3843,-6.66,-3.18,-7.4420851778298065
O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1cccs1,C02284093_decoy,GCR,Decoy,0,-11.3712,-7.45,-1.57,-6.867780201388547
CSc1ccc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc1,C12446785_decoy,GCR,Decoy,0,-10.253,-1.6,-4.15,-3.157945750394888
N#CC(C#N)=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12,C06644429_decoy,GCR,Decoy,0,-9.62647,-10.38,-0.28,-11.862780958875758
Cc1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)c2c1CC(C)(C)O2,C04054694_decoy,GCR,Decoy,0,-8.54685,-3.8,-1.24,-3.801008870140814
CCn1/c(=N/C(=O)c2ccccc2)sc2cccc(Br)c21,C12063533_decoy,GCR,Decoy,0,-8.96365,-3.19,-0.98,-3.67678968646989
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cc(Br)cs1,C16386063_decoy,GCR,Decoy,0,-10.4417,-2.56,-1.73,-3.2110521692646934
CC(C)N1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S,C16750549_decoy,GCR,Decoy,0,-10.7251,-2.74,-0.68,-4.189015153613635
O=c1nc2n(c3sc4c(c13)CCCC4)[C@H](c1ccccc1)C=CS2,C19898694_decoy,GCR,Decoy,0,-11.0452,-2.85,-2.79,-3.4055528750179747
Cc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(C)cc4C)C(=S)N32)cc1,C20606371_decoy,GCR,Decoy,0,-9.76952,-2.29,-0.9,-3.5066185989220195
Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cc(C)ccc4C)C(=S)N32)cc1,C20606379_decoy,GCR,Decoy,0,-8.84797,-9.7,-1.29,-15.133258942001294
Cc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)cc1C,C27910134_decoy,GCR,Decoy,0,-9.87313,11.95,-0.53,0.86545821001715
C(=N/c1ccc2c(c1)[C@@H](N1CCOCC1)c1ccccc1-2)\c1ccccc1,C17326633_decoy,GCR,Decoy,0,-9.36322,-10.72,-2.34,-12.423040685340135
Cc1cccc(C(=O)/N=c2/sccn2C)c1I,C31694231_decoy,GCR,Decoy,0,-8.09681,-7.27,-0.88,-9.217365675246604
C/C(=C1/SC(=O)N(c2ccc(F)cc2)C1=O)c1ccc(Br)cc1,C39860570_decoy,GCR,Decoy,0,-9.54779,-9.17,-0.79,-10.071936570663274
C/C(=C1/SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(Cl)cc1,C39861389_decoy,GCR,Decoy,0,-10.6052,-8.64,-3.1,-8.131366728405547
CC1=C(Cl)C(=O)[C@@](C)(Cl)C(Cl)(Cl)/C1=N/C(=O)c1ccc(C)cc1,C26779671_decoy,GCR,Decoy,0,-10.1509,-8.58,-1.31,-7.885859264482306
Cc1ccoc1[C@H](Cl)c1cc2c(cc1Br)OCCCO2,C40273780_decoy,GCR,Decoy,0,-9.20473,-3.68,-0.88,-3.326735495838352
Cc1ccoc1[C@@H](Br)c1cc2c(cc1Br)OCCO2,C40286010_decoy,GCR,Decoy,0,-9.03963,-7.59,-3.54,-7.64194668065569
Cc1ccc2c(c1C)N(Cc1ccc(Br)s1)C(=O)C2=O,C42076475_decoy,GCR,Decoy,0,-9.57384,-6.72,-1.05,-6.923023599253901
Cc1cc2c(c3c1O[P@@](N(C)C)O[C@@H]1C3=c3ccccc3=C[C@@H]1C)=CCCC=2,C43220914_decoy,GCR,Decoy,0,-5.97824,-3.58,-1.33,-2.399997084456164
N#Cc1cc2c(nc1Oc1cccc(I)c1)CCC2,C43404989_decoy,GCR,Decoy,0,-8.61086,-7.29,-0.24,-6.123320850197519
Cl[C@@H](c1ccccc1)c1nc(-c2ccccc2Br)no1,C43560456_decoy,GCR,Decoy,0,-8.5499,-8.15,-0.41,-6.771326281296385
Cc1cc(Br)oc1C(=O)N1CCCc2cc(Br)ccc21,C48660115_decoy,GCR,Decoy,0,-9.02115,-3.07,-1.16,-3.550192470086871
O=C(c1scnc1Cl)N1CCCc2cc(Br)ccc21,C48941134_decoy,GCR,Decoy,0,-9.12491,-7.92,-0.66,-6.921115099808647
Cc1cc(Br)oc1C(=O)N1CCc2cc(Br)ccc21,C49303690_decoy,GCR,Decoy,0,-8.41199,-8.02,-1.08,-8.842708878920028
O=c1oc2cc(Br)ccc2n1Cc1cc(Br)ccc1F,C49391555_decoy,GCR,Decoy,0,-9.15182,-8.15,-2.49,-7.367525705297683
[O-]/[N+](=N\c1ccc(Br)cc1)c1ccc(Br)cc1,C04750790_decoy,GCR,Decoy,0,-7.8665,-6.88,-0.7,-6.201462261151231
O=S(=O)(Oc1ccc2c(c1)CCC2)c1cccc(Br)c1,C57423958_decoy,GCR,Decoy,0,-8.46693,-7.87,-0.79,-7.342412021666884
CC1=CC[C@H]2C(=O)N(c3cc(Cl)c(Br)cc3C)C(=O)[C@@H]2C1,C01114313_decoy,GCR,Decoy,0,-10.1659,-9.67,-0.95,-14.040867651605518
Cc1ccc([C@H](Br)c2ccc3c(c2)oc(=O)n3C)cc1Cl,C63022035_decoy,GCR,Decoy,0,-9.0386,-8.26,-0.85,-7.296423753466941
Cc1ccc(NC(=S)N/N=C/c2ccc3ncccc3c2)c(C)c1,C03308309_decoy,GCR,Decoy,0,-9.11081,-3.01,-1.59,-4.094160267673179
Cc1ccc2[nH]c(SCC(=O)NC3CCCCCC3)nc2c1,C02226912_decoy,GCR,Decoy,0,-7.92235,-8.19,-1.61,-7.903831890484586
CCSc1nc(N)c2c3c(sc2n1)CO[C@](C)(CC)C3,C00500852_decoy,GCR,Decoy,0,-10.1271,-8.14,-1.58,-8.843010471797438
O=C(N/N=C/c1ccccc1O)C(c1ccccc1)c1ccccc1,C00349055_decoy,GCR,Decoy,0,-8.55936,-2.38,-3.09,-3.692697446295176
C=CCSc1nc(N)c2c3c(sc2n1)CO[C@H](CCC)C3,C02215480_decoy,GCR,Decoy,0,-10.4917,-8.11,-0.83,-8.73803689336223
CNC(=S)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1,C06179200_decoy,GCR,Decoy,0,-9.34824,-3.06,-0.57,-3.805462799368828
O=C(Nc1ccc(O)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1,C06883338_decoy,GCR,Decoy,0,-10.6616,13.06,-0.42,0.8152845610814802
Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2N)cc1,C01291448_decoy,GCR,Decoy,0,-10.0428,-4.2,-0.92,-4.351819860513755
C[C@H](NC(=O)NCCC1=CCCCC1)c1cc2ccccc2o1,C11607473_decoy,GCR,Decoy,0,-8.78316,-6.44,-1.71,-5.5015162557195865
CC(C)CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1,C12691155_decoy,GCR,Decoy,0,-9.13316,-4.25,-1.42,-4.467279941381501
COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2,C14474011_decoy,GCR,Decoy,0,-9.68288,-3.85,-0.52,-4.287607214068363
C=CCc1c(O)ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c12,C15019009_decoy,GCR,Decoy,0,-9.35917,-8.66,-1.62,-8.597933963378955
CC(C)=CCc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O,C02570135_decoy,GCR,Decoy,0,-8.83038,-1.39,-0.42,-3.2376281024702527
CCC1(CC)Cc2ccccc2C(NC(=O)NCC(C)C)=C1C#N,C15841405_decoy,GCR,Decoy,0,-9.72578,-2.44,-2.55,-3.9261361650698574
O=C1N=C(Nc2cccc(O)c2)S/C1=C\c1cccc(Cl)c1,C16904685_decoy,GCR,Decoy,0,-9.62843,-9.01,-1.28,-9.622158139220966
CC(C)CCN1C[C@@H](C)Oc2ccc(-c3csc(N)n3)cc21,C19760296_decoy,GCR,Decoy,0,-9.18616,-7.59,-1.0,-9.539186466428896
N[C@H](c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl,C20009088_decoy,GCR,Decoy,0,-8.94741,-7.95,-0.16,-8.391130120647059
CC[C@H](CO)Nc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3,C20322981_decoy,GCR,Decoy,0,-9.54914,-2.45,-3.75,-3.630590121585527
CCCCCSc1nc(N)c2c3c(sc2n1)CN(C)CC3,C20442782_decoy,GCR,Decoy,0,-10.4604,-7.88,-1.23,-8.96633280272187
N[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1)c1c(Cl)cccc1Cl,C21801735_decoy,GCR,Decoy,0,-8.63515,-7.58,-0.41,-10.131136068360632
CCCC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2,C21969228_decoy,GCR,Decoy,0,-9.22292,-7.68,-0.58,-12.191122965227832
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C1(C)C,C24714107_decoy,GCR,Decoy,0,-9.90733,-7.82,-2.45,-8.160250709658738
C[C@@H](Nc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cn1,C28805364_decoy,GCR,Decoy,0,-8.95215,-8.5,-1.07,-8.47061765019901
COc1ccc2cc(C(=O)N[C@H](c3cccs3)C(C)C)[nH]c2c1,C31257829_decoy,GCR,Decoy,0,-9.59535,-3.5,-1.4,-4.321354466700928
CC[C@H](CO)Nc1nc(Cl)nc2sc3c(c12)CC[C@H](C)C3,C36278175_decoy,GCR,Decoy,0,-9.65655,-3.38,-4.39,-4.178633034336639
O=C(CC1CCCCC1)NNC(=O)C12CC3CC(CC(C3)C1)C2,C26809641_decoy,GCR,Decoy,0,-9.60873,-5.1,-1.85,-4.423920293994942
CCCc1cc(C(=O)Cc2nc3ccccc3s2)c(O)cc1O,C00044344_decoy,GCR,Decoy,0,-10.4157,-6.73,-1.55,-8.256294663942436
OCc1cccc(Nc2ncnc3sc4c(c23)CCCCC4)c1,C08394423_decoy,GCR,Decoy,0,-8.91975,-4.66,-2.03,-4.43161135773451
O=C([O-])[C@@H](c1ccc(SC(F)(F)F)cc1)N1CC[NH2+]CC1,C37963472_decoy,GCR,Decoy,0,-7.3927,-4.16,-3.05,-3.9035350062534855
Cc1ccc(Nc2nc(CSC(C)C)cc(=O)[nH]2)cc1Cl,C41597753_decoy,GCR,Decoy,0,-10.0661,-7.62,-2.92,-7.723226238784821
CCCc1cc(=O)[nH]c(Nc2ccc(Br)c(C)c2)n1,C41599880_decoy,GCR,Decoy,0,-9.07894,-7.72,-0.79,-7.023747694477855
Cc1cc(NCc2cc3c(cc2O)OCO3)ccc1Br,C42879168_decoy,GCR,Decoy,0,-8.13534,-6.79,-3.53,-5.122659160315092
Cc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)o1,C48469393_decoy,GCR,Decoy,0,-8.73828,-8.57,-3.11,-7.314379484809293
Nc1cccc(Cl)c1SCc1ccc([N+](=O)[O-])cc1Cl,C49964010_decoy,GCR,Decoy,0,-8.19339,-8.03,-0.62,-12.78832138095007
CCOc1ccccc1[C@@H]1N=C(O)c2c(sc3c2CC[C@@H](C)C3)N1,C04571624_decoy,GCR,Decoy,0,-10.2982,-6.64,-3.33,-6.235699585260728
CCCC1CCN(S(=O)(=O)c2cc(N)c(C)c(Cl)c2)CC1,C50893419_decoy,GCR,Decoy,0,-9.49139,-4.2,-1.97,-4.686666356543971
Cc1cc(Cl)ccc1OCC(=O)NNC1=C[C@@H](C)CCC1,C03378685_decoy,GCR,Decoy,0,-8.66815,-7.37,-3.89,-7.016323847825865
N/C(=N\OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1,C04725375_decoy,GCR,Decoy,0,-8.77689,-8.74,-0.46,-6.975075400694614
COc1c(F)cc(N[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1F,C56207525_decoy,GCR,Decoy,0,-7.60994,-8.31,-4.23,-7.727639223187233
C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)[C@@H](C)c1ccccc1F,C56770880_decoy,GCR,Decoy,0,-8.75174,-9.09,-1.73,-12.385866197442432
Cc1cccc(-c2cc(=O)[nH]c(Nc3c(F)cccc3F)n2)c1,C57341921_decoy,GCR,Decoy,0,-8.15073,-9.15,-0.46,-7.254240078900564
Cc1cc2nc(-c3ccc(C)c(N)c3)n(C[C@@H](C)C#N)c2cc1C,C57802263_decoy,GCR,Decoy,0,-8.66577,-3.61,-2.74,-3.7177591536832377
Cc1cc2nc(C(C)C)n(CCOc3ccc(N)cc3)c2cc1C,C57868756_decoy,GCR,Decoy,0,-7.51752,-7.5,-1.28,-11.292706233685925
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CNc2ccccc2Cl)C1,C12575314_decoy,GCR,Decoy,0,-9.06181,-7.24,-0.92,-10.849478136705514
Cc1ccc(NC(=O)/C(C#N)=C/c2c(O)ccc3ccccc23)cc1,C59484073_decoy,GCR,Decoy,0,-9.03268,-3.55,-2.01,-4.146031942059103
C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@H]1c1cccs1,C56763013_decoy,GCR,Decoy,0,-9.26085,-8.54,-17.54,-12.082875094246068
CCCCC1CCC(C(=O)N2c3ccccc3C[C@H]2C(N)=O)CC1,C60351197_decoy,GCR,Decoy,0,-8.85486,-3.99,-2.64,-4.272035378856107
[H]/N=C1/N=C(c2ccccc2)/C(=N/Nc2cccc3ccccc23)S1,C15974013_decoy,GCR,Decoy,0,-8.41132,-9.46,-1.01,-6.448876896469778
C[C@@H](Nc1cc2c(cc1Cl)OCO2)c1ccc(F)cc1O,C62746581_decoy,GCR,Decoy,0,-8.42704,-7.47,-1.31,-7.042893712533834
C[C@H]1C[C@@H](CC(=O)N2CCCC[C@@H]2CC(N)=O)CC(C)(C)C1,C66643267_decoy,GCR,Decoy,0,-8.54783,-8.14,-1.44,-8.393787004889974
O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1cccs1,C00646569_decoy,GCR,Decoy,0,-10.5369,-8.57,-4.71,-9.77703374473604
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1,C00746094_decoy,GCR,Decoy,0,-9.28333,-3.24,-3.49,-4.341071191260462
CC(C)(C)CC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1,C04519605_decoy,GCR,Decoy,0,-9.8867,-4.59,-1.67,-5.457806911376118
Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1cccc(Br)c1,C07564616_decoy,GCR,Decoy,0,-9.52402,-8.86,-0.91,-16.162118708904934
COc1cc(CSCC(=O)N[C@H]2CCCC[C@@H]2C)c(OC)cc1Br,C07846824_decoy,GCR,Decoy,0,-10.8564,-7.88,-3.55,-9.93810934482935
Cc1nc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n(CC(C)C)c1C,C08131074_decoy,GCR,Decoy,0,-9.93648,-7.69,-1.81,-9.42951924380526
O=C(NC1CCCC1)[C@H](c1ccccc1Cl)N(C(=O)Cc1cccs1)C1CC1,C01333759_decoy,GCR,Decoy,0,-10.4653,-3.36,-1.77,-4.862686284191204
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=CCCCC2)[C@H]1c1cccs1,C09432907_decoy,GCR,Decoy,0,-10.7224,-3.19,-4.21,-4.809477431093873
O=C(CSc1nccn1-c1cccc(F)c1)N[C@@H](c1ccccc1)c1cccs1,C09643462_decoy,GCR,Decoy,0,-9.40137,-8.68,-2.66,-11.028005786203591
O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)NCCc1ccccc1,C10453205_decoy,GCR,Decoy,0,-9.35066,-9.17,-2.75,-7.977811243604028
O=C(NCCc1ccc(Br)s1)c1ccc(OCc2cscn2)cc1,C10502558_decoy,GCR,Decoy,0,-11.522,-8.07,-4.56,-14.278528431979264
C[C@H](NC(=O)Cc1csc(COc2ccc(F)cc2)n1)c1ccc(F)c(F)c1,C10503513_decoy,GCR,Decoy,0,-9.91403,-7.71,-1.52,-7.483283487255657
CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2I)cc1,C11437882_decoy,GCR,Decoy,0,-8.22751,-7.99,-1.43,-8.46447137695608
Cc1nc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cs1,C11807444_decoy,GCR,Decoy,0,-10.0588,-2.8,-3.2,-5.334463261925331
Cn1ccnc1[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1F,C12507628_decoy,GCR,Decoy,0,-9.5251,-4.61,-2.1,-5.058085398576452
Cc1ccc2c(c1)S[C@H](C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C)C2,C12965759_decoy,GCR,Decoy,0,-10.1122,-4.85,-5.23,-5.174400247968149
O=C(C/C(=N\NC(=O)c1ccccc1Br)C(F)(F)F)c1cccs1,C13142372_decoy,GCR,Decoy,0,-8.49194,-8.44,,99.0
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CCCl,C01906323_decoy,GCR,Decoy,0,-11.3801,-7.43,-2.02,-9.594934679943284
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2,C14548654_decoy,GCR,Decoy,0,-11.122,-9.18,-3.63,-10.886551793106625
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3C)SC2=S)c1,C15039274_decoy,GCR,Decoy,0,-10.3816,-8.72,-3.82,-12.960426311889396
C[C@H](OC(=O)[C@@H](C)Sc1ccccc1)C(=O)Nc1ccc(Br)cc1F,C16931038_decoy,GCR,Decoy,0,-9.6963,-5.17,-2.22,-5.704179908226688
O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(C2SCCCS2)cc1,C17936968_decoy,GCR,Decoy,0,-12.1126,-8.11,-2.84,-13.783486239972104
O=C(NCCc1ccc(F)cc1)c1ccccc1SCC(=O)N1CCc2ccccc21,C24738427_decoy,GCR,Decoy,0,-9.50522,-4.47,-2.36,-5.017176436149213
O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCCCN1C(=O)c1cccs1,C25596748_decoy,GCR,Decoy,0,-10.3498,-9.81,-1.65,-10.486534749851586
CN(C)[C@@H](CNC(=O)COc1ccc(Cl)cc1Br)c1cccs1,C27675171_decoy,GCR,Decoy,0,-9.54288,-7.0,-4.41,-10.975676487297791
O=C(NCc1ccccc1F)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Cc2cccs2)C1,C34755164_decoy,GCR,Decoy,0,-11.0069,-4.35,-3.8,-5.094374275550884
CCCCCNC(=O)[C@H]1CS[C@@H](c2cccs2)N1C(=O)c1ccc(C)cc1,C35192293_decoy,GCR,Decoy,0,-11.1116,-3.42,-4.14,-5.175702080448048
CCCCNC(=O)[C@@H]1CS[C@@H](c2ccccc2Cl)N1C(=O)c1ccccc1,C35196263_decoy,GCR,Decoy,0,-9.86547,-2.84,-4.25,-4.434050454122536
CN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1,C36536121_decoy,GCR,Decoy,0,-8.8968,-8.27,-4.84,-10.208224261121764
C/C=C\[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cc1ccc(Br)cc1)C(C)(C)C,C36583959_decoy,GCR,Decoy,0,-9.31938,-8.39,-1.33,-13.415308305572232
Cc1ccc(CSCC(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,C12920950_decoy,GCR,Decoy,0,-9.48817,-6.76,-4.44,-7.89146288181573
O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1,C08601385_decoy,GCR,Decoy,0,-8.81304,-3.93,-3.15,-4.307090313684867
CCC(CC)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1,C38562410_decoy,GCR,Decoy,0,-9.32005,-7.68,-3.41,-10.08633626067685
O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1(c2cccs2)CCCC1,C38621875_decoy,GCR,Decoy,0,-10.6337,-7.03,-2.29,-9.221863100563684
O=C(NCCc1cccc2cccnc12)c1ccccc1SCc1cscn1,C39554813_decoy,GCR,Decoy,0,-10.3051,-4.14,-3.03,-4.894689452237774
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1ccc(C2SCCS2)cc1,C39571645_decoy,GCR,Decoy,0,-11.467,-4.2,-2.14,-5.6806761945015305
Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2I)cc1C,C39582092_decoy,GCR,Decoy,0,-9.58467,-7.32,-2.86,-9.523256595100698
O=C(NCCCc1nc2ccccc2n1Cc1ccc(Br)cc1)C1CC1,C40204970_decoy,GCR,Decoy,0,-9.51662,-8.41,-3.08,-11.439795325796824
Cc1cc(OCCCC(=O)NC[C@@H]2CCCO2)c(Br)c(C)c1Cl,C40948234_decoy,GCR,Decoy,0,-9.91096,-7.74,-2.29,-7.957064956857879
Cc1ccc(-n2c(CNC(=O)COc3ccc(C(C)C)cc3)csc2=S)cc1,C41009370_decoy,GCR,Decoy,0,-9.99603,-8.82,-2.87,-10.043223212547158
CCc1ccc(O[C@H](C)C(=O)NCc2csc(=S)n2-c2ccc(C)cc2)cc1,C41009373_decoy,GCR,Decoy,0,-8.67187,-8.53,-2.0,-8.447144130394038
O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)OCc1ccc(Br)cc1F,C45255589_decoy,GCR,Decoy,0,-9.13375,-6.76,-5.03,-6.7651933482892375
O=C(COC(=O)Cc1ccccc1Cl)N[C@@H](c1ccccc1)c1cccs1,C08514996_decoy,GCR,Decoy,0,-9.12267,-8.43,-2.63,-8.689335774884713
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1,C46567277_decoy,GCR,Decoy,0,-11.3188,-2.27,-2.87,-4.362470412940936
COc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1Br,C46686916_decoy,GCR,Decoy,0,-10.2506,-8.24,-3.19,-8.155467198586951
CSc1ccccc1NC(=O)CN(C)C(=O)C1(c2ccc(Br)cc2)CC1,C31552325_decoy,GCR,Decoy,0,-10.1828,-7.87,-1.16,-9.465716295557744
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1,C58788110_decoy,GCR,Decoy,0,-10.4721,-4.35,-1.92,-5.2154168746535605
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccc(OC3CSC3)c2)c1,C59401699_decoy,GCR,Decoy,0,-10.3132,-8.02,-4.57,-8.303074779521237
O=S(=O)(NCc1cccn1Cc1ccccc1F)c1ccc(Br)s1,C64665079_decoy,GCR,Decoy,0,-10.6376,-8.22,-2.91,-9.074948944498058
Cc1cccc([C@H](CNCc2csc(-c3ccsc3)n2)N2CCOCC2)c1,C67188001_decoy,GCR,Decoy,0,-11.6307,-8.47,-1.92,-17.578623243912343
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1CCCCC1,C01180704_decoy,GCR,Decoy,0,-10.2647,-8.48,-4.68,-8.166855488737314
CCCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Br)ccc21,C02493090_decoy,GCR,Decoy,0,-10.2495,-7.23,-1.54,-9.47239621955847
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1,C04906183_decoy,GCR,Decoy,0,-8.93795,-5.52,-3.01,-5.113369110475468
CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCCCC2,C05192122_decoy,GCR,Decoy,0,-10.5383,-4.2,-5.87,-5.333709007969183
Cc1nc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c2c(C)c(C)sc2n1,C05428807_decoy,GCR,Decoy,0,-9.82947,-8.93,-1.76,-9.125652728711438
C[C@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1ccc(Br)cc1,C06429146_decoy,GCR,Decoy,0,-10.3004,-8.96,-1.33,-7.9475037498155645
O=C(/C=C/c1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21,C04555048_decoy,GCR,Decoy,0,-9.84,-8.57,-2.59,-8.210035877945806
O=C(/C=C/c1ccccc1)C[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Cl)cc21,C09926078_decoy,GCR,Decoy,0,-10.5197,-10.22,-0.86,-18.322019339546323
CCc1ccc([C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2cccs2)cc1,C10447579_decoy,GCR,Decoy,0,-10.9784,-2.75,-3.41,-5.393179970578779
CCCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nc2ccc(C(F)(F)F)cc21,C11021886_decoy,GCR,Decoy,0,-8.00776,-7.5,-0.57,-7.019832730337798
Cc1cc(NC(=O)CCC(=O)c2ccc(Br)cc2)ccc1N1CCCC1,C11324911_decoy,GCR,Decoy,0,-10.6457,-9.04,-3.1,-8.225495957109311
O=C(CCc1cccnc1)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1,C12079804_decoy,GCR,Decoy,0,-11.251,-4.93,-0.53,-5.4783272491595065
O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1,C12192126_decoy,GCR,Decoy,0,-10.1212,-7.36,-1.31,-9.273176548537307
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CCC(C)C)C3)s1,C12329149_decoy,GCR,Decoy,0,-10.9172,-7.85,-2.5,-9.0833873447642
O=C(Nc1ccccc1SC(F)F)C1CCN(C(=O)/C=C/c2ccccc2)CC1,C14603234_decoy,GCR,Decoy,0,-9.29068,-0.8,-2.91,-4.05439254870988
C=C(C)Cn1cc(C[C@@H](C)NC(=O)c2cccnc2)c2cc(Br)ccc21,C16888662_decoy,GCR,Decoy,0,-9.43142,-8.65,-1.99,-14.27592187683434
Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)/C=C/c1cc(Br)ccc1F,C16994838_decoy,GCR,Decoy,0,-9.37266,-8.98,-3.24,-11.656251871667475
CCC[C@H](C)NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12,C20992030_decoy,GCR,Decoy,0,-10.6152,-7.01,-3.63,-10.09508768078562
Cn1cccc1[C@@H](CNC(=O)Cc1cccc2ccccc12)N1CCc2ccccc2C1,C21151791_decoy,GCR,Decoy,0,-8.95941,-9.1,-2.66,-8.827615457171213
CC(C)[C@@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1ccc(F)cc1,C22066524_decoy,GCR,Decoy,0,-9.11648,-7.89,-0.79,-8.666346000366838
N#CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br,C22155263_decoy,GCR,Decoy,0,-9.14061,-7.02,-1.28,-7.97990411334459
C[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccc(Br)cc1,C22610275_decoy,GCR,Decoy,0,-8.8939,-7.25,-3.17,-8.370836990086108
O=C(COc1ccc(I)cc1)Nc1ccc(OC(F)F)cc1,C22740263_decoy,GCR,Decoy,0,-8.66951,-7.55,-1.19,-7.263166286798096
CCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)s1,C24065848_decoy,GCR,Decoy,0,-10.6548,-7.74,-1.7,-8.659441846710253
Cc1ccc(C(=O)N[C@H](C(=O)N(C)Cc2ccc(Br)s2)C(C)C)cc1,C24636246_decoy,GCR,Decoy,0,-9.48723,-3.55,-2.86,-4.642588710344167
O=C(CSc1ccc(Br)cc1)NCC1(N2CCOCC2)CCCCC1,C25514775_decoy,GCR,Decoy,0,-10.7989,-6.83,-1.55,-9.430392496588594
Cc1cc(Br)ccc1SCC(=O)NCc1coc(-c2cccs2)n1,C26064692_decoy,GCR,Decoy,0,-10.1925,-7.44,-32.0,-8.216899625299332
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C/c1sc2ccccc2c1Cl,C31198809_decoy,GCR,Decoy,0,-9.67995,-3.19,-1.55,-3.93599878389337
COc1ccc(-c2csc(CCNC(=O)c3ccc(Br)cc3)n2)cc1,C31848792_decoy,GCR,Decoy,0,-11.2573,-6.09,-1.08,-6.986947924496658
c1ccc(SCc2nc(NCc3nccs3)c3c4c(sc3n2)CCC4)cc1,C32935562_decoy,GCR,Decoy,0,-11.2014,-4.07,-3.23,-4.870323757624697
CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(I)cc2)n1,C34980805_decoy,GCR,Decoy,0,-9.35192,-6.72,-0.99,-7.329956814400239
CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc(Br)s1,C35152080_decoy,GCR,Decoy,0,-10.2009,-2.82,-1.48,-4.408036133087952
CN(C(=O)Cc1ccc(Br)cc1)[C@H](C(=O)NC(C)(C)C)c1ccccc1,C36528395_decoy,GCR,Decoy,0,-8.70048,-5.56,-2.77,-4.168758528492079
CCC(CC)NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12,C36802575_decoy,GCR,Decoy,0,-10.1446,-7.02,-5.45,-9.908939840129635
O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1,C04553773_decoy,GCR,Decoy,0,-10.5245,-3.71,-1.51,-5.150047432877215
O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2cccs2)C1,C39266886_decoy,GCR,Decoy,0,-9.49615,-0.4,-2.94,-4.860855489557095
C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1,C36714895_decoy,GCR,Decoy,0,-7.90656,-4.47,-3.87,-4.203631702138178
C=C(Br)Cn1c([C@H](C)NC(=O)/C=C\c2ccccc2)nc2ccccc21,C40191312_decoy,GCR,Decoy,0,-9.01227,-7.43,-0.91,-10.220784187595608
COC(=O)[C@H](CC(C)C)NC(=O)c1cccc(C)c1I,C42875966_decoy,GCR,Decoy,0,-8.43863,-6.6,-1.63,-9.777622235832103
Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2cc3ccccc3o2)cs1,C45776004_decoy,GCR,Decoy,0,-10.452,-8.32,-2.62,-8.891517782817301
COc1cc([C@@H](C)NC(=O)c2ccc(Br)cc2F)ccc1OC(C)C,C31513626_decoy,GCR,Decoy,0,-10.2465,-7.35,-1.91,-8.864311518827583
COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1,C46795119_decoy,GCR,Decoy,0,-9.44587,-3.88,-2.77,-4.703381960948263
O=C(NC1CCCC1)c1ccc(OC2CCN(Cc3cccs3)CC2)c(Cl)c1,C55167025_decoy,GCR,Decoy,0,-12.1265,5.9,-3.41,-2.505153735269287
CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c1,C06761665_decoy,GCR,Decoy,0,-9.74316,-8.98,-1.5,-7.747761620331638
O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccc(Cl)c(Cl)c1,C59341823_decoy,GCR,Decoy,0,-9.93322,-4.94,-1.79,-5.412148164926613
O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)C1(c2ccc(F)cc2)CCCC1,C60130452_decoy,GCR,Decoy,0,-10.3092,-8.5,-1.19,-10.094641799793784
C[C@@H]1CN(c2ccc(NC(=O)CSCc3ccc(Cl)s3)cc2)C[C@@H](C)O1,C60243102_decoy,GCR,Decoy,0,-11.679,-5.29,-6.44,-6.12538364025588
COc1ccc(Br)cc1C(=O)N[C@H](CC(C)C)c1nc(C)cs1,C62449707_decoy,GCR,Decoy,0,-9.69673,-7.76,-3.01,-9.580653013822374
Cc1ccc(Cc2sc(CNS(=O)(=O)c3ccc(C)s3)nc2C)cc1,C62610234_decoy,GCR,Decoy,0,-11.0628,-6.4,-4.22,-5.973227372216314
CCc1csc(-c2csc(S(=O)(=O)NCc3ccc(F)c(Cl)c3)c2)n1,C65116819_decoy,GCR,Decoy,0,-11.0821,-7.43,-2.25,-11.406982348935
CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2cccc(Br)c2)C1=O,C04178861_decoy,GCR,Decoy,0,-10.7158,-4.07,-2.07,-4.579375875802639
C[C@@H]1CCc2c(sc(NC(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c2C#N)C1,C00869852_decoy,GCR,Decoy,0,-10.2806,-3.96,-0.87,-4.492632080845142
Cc1nc(SCC(=O)Nc2sc(C)c(C)c2C#N)c2c3c(sc2n1)CCC3,C03267079_decoy,GCR,Decoy,0,-10.7026,-3.8,-3.78,-4.424217786777912
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Sc2ccccc2)C1=O,C06479471_decoy,GCR,Decoy,0,-8.92725,-5.93,-2.87,-4.718816825886927
CC(C)(C)NC(=O)CC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)c(Cl)c1,C06771163_decoy,GCR,Decoy,0,-4.94224,-2.81,-3.07,-2.568518862411001
C[C@H](NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)c1ccc2c(c1)CCCC2,C07823932_decoy,GCR,Decoy,0,-9.22905,-4.2,-1.63,-3.887560851784434
O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(Cl)ccc1N1CCOCC1,C08395785_decoy,GCR,Decoy,0,-9.75165,-8.37,-2.6,-8.771022610660792
CCCc1nnc(S)n1/N=C/c1cc(Br)cc(Br)c1O,C08766365_decoy,GCR,Decoy,0,-10.5055,-7.04,-1.95,-10.831537961792986
O=C(c1ccc(Br)cc1)c1cc2c(cc1NC(=O)C1CC1)OCCO2,C09028555_decoy,GCR,Decoy,0,-10.5346,-3.85,-4.49,-4.86391075371679
O=C(NC[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1)c1ccc(Br)cc1,C09071665_decoy,GCR,Decoy,0,-9.14935,-5.55,-0.77,-6.665287818670983
Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)c(Cl)c1,C09138550_decoy,GCR,Decoy,0,-9.75624,-4.65,-4.23,-5.012667611703918
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cnc(Cl)c(Cl)c1,C09285858_decoy,GCR,Decoy,0,-9.8891,-4.1,-3.92,-4.693359136490981
O=C(Cn1nc(-c2cccc(Br)c2)ccc1=O)Nc1cccc(Cl)c1,C10131790_decoy,GCR,Decoy,0,-9.61751,-8.06,-2.21,-6.99037956933147
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1cccs1,C10784956_decoy,GCR,Decoy,0,-10.7261,-2.88,-1.6,-4.228229740834799
Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)c2)c1,C11767815_decoy,GCR,Decoy,0,-10.7951,-4.98,-2.36,-5.309814234475298
Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)C1CCOCC1)C2,C11913205_decoy,GCR,Decoy,0,-6.35814,-4.01,-2.54,-3.302086077203528
CSCc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccccn2)o1,C12207237_decoy,GCR,Decoy,0,-11.8194,-3.16,-3.81,-4.721389726523452
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1,C13102556_decoy,GCR,Decoy,0,-10.0605,-4.58,-3.87,-4.824416862585992
CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cccc(Cl)c1Cl,C14033937_decoy,GCR,Decoy,0,-10.5656,-7.5,-3.16,-8.558368343722224
COc1cc(C)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1C(C)C,C16267882_decoy,GCR,Decoy,0,-11.0912,-4.43,-2.55,-5.057761182834782
C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1,C17963093_decoy,GCR,Decoy,0,-11.0043,-5.49,-1.94,-5.583119281455222
C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(Cl)c(Cl)c1,C17963094_decoy,GCR,Decoy,0,-11.1902,-6.94,-2.99,-7.411241601600542
Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@@H]4CCCCO4)C3)c(-c3ccncc3)c2c1,C19220212_decoy,GCR,Decoy,0,-10.2317,-3.6,-5.11,-4.535287693783408
Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1,C19223539_decoy,GCR,Decoy,0,-9.5007,-9.29,-2.13,-8.145441384776714
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1,C23259380_decoy,GCR,Decoy,0,-9.58857,-3.8,-1.29,-4.154403163898376
S=c1[nH]c(-c2ccccc2)nn1CN1CCCC[C@H]1c1nc2ccccc2s1,C24280408_decoy,GCR,Decoy,0,-9.81813,-9.42,-3.05,-10.175928403322889
Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c(Cl)c1,C24345372_decoy,GCR,Decoy,0,-10.6427,-5.01,-2.55,-5.687877414395237
O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl,C33131421_decoy,GCR,Decoy,0,-11.2622,-4.1,-4.18,-5.117184922489283
C[C@H]1CCN(C(=O)CSc2nc(-c3cccs3)n[nH]2)c2ccccc2S1,C06035349_decoy,GCR,Decoy,0,-10.1543,-8.64,-1.21,-15.049806507713209
O=C(NC1CCCC1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1,C00793000_decoy,GCR,Decoy,0,-9.79833,-8.62,-2.44,-12.10348282978143
Cc1nc2cc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)ccc2s1,C01223894_decoy,GCR,Decoy,0,-10.5218,-8.39,-2.24,-12.219139338390148
C/C(=N/NC(=O)[C@H]1C=C(c2ccc(C)cc2)N=N1)c1cccc(Br)c1,C38549270_decoy,GCR,Decoy,0,-8.76548,-9.04,-4.92,-7.474916105580952
Cc1sc2nc(CS[C@H](C)C(=O)N3CCCc4ccccc43)[nH]c(=O)c2c1C,C22108149_decoy,GCR,Decoy,0,-9.33782,-5.14,-2.86,-4.694734097868603
CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)C[C@H](C)C2,C40037686_decoy,GCR,Decoy,0,-6.10464,-2.74,-0.68,-2.529351653449733
Cc1ccn2c(=O)c(C(=O)NCC(C)(C)c3ccc(Br)cc3)cnc2c1,C40113445_decoy,GCR,Decoy,0,-10.0903,-5.09,,99.0
CSc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1,C43856507_decoy,GCR,Decoy,0,-10.1297,-2.29,-4.64,-3.831989102874387
Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N(C)Cc1sccc1C,C48099997_decoy,GCR,Decoy,0,-9.71555,4.63,-27.06,-1.7436585699282183
Cc1nc(C)c([C@H](C)Nc2ccc([N+](=O)[O-])c(I)c2)s1,C48626053_decoy,GCR,Decoy,0,-7.87415,-7.07,-0.94,-7.219514676694918
CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(-c2ccccc2F)s1,C28924474_decoy,GCR,Decoy,0,-9.50224,-5.69,-2.1,-5.077118170683508
Cc1cc(C)cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)c1,C46145204_decoy,GCR,Decoy,0,-8.70158,-3.29,-1.71,-3.976964796842936
CSc1ccc(NC(=O)c2nnn(-c3cccc(Br)c3)c2C)cc1,C55051665_decoy,GCR,Decoy,0,-9.21569,13.26,-1.06,1.5668671619121113
O=C1CC[C@@]2(C(=O)Nc3ccc(OC(F)F)cc3)Sc3ccc(Cl)cc3N12,C60099303_decoy,GCR,Decoy,0,-9.15493,-8.47,-1.37,-10.733377452835152
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1cc2c(s1)CCC2,C15644451_decoy,GCR,Decoy,0,-11.4023,-4.54,,99.0
Cc1ccc(NC(=O)CCC2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)c(Cl)c1,C39791683_decoy,GCR,Decoy,0,-11.6075,-3.6,-3.14,-4.709555277765144
Cc1ccc(NC(=O)CCC2=NC(=O)C3=C4CCCC[C@H]4SC3=N2)c(Cl)c1,C39791684_decoy,GCR,Decoy,0,-9.16974,-4.19,-2.75,-4.0800888493007
C[C@@H]1CC=Cc2nc(CSc3nc(-c4ccccc4Br)n[nH]3)cn21,C64064470_decoy,GCR,Decoy,0,-9.32396,-6.8,-1.65,-5.951254204782038
O=C(N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1)C1=CC=C[C@@H]2N=CC=C12,C65096784_decoy,GCR,Decoy,0,-5.85092,-4.32,-1.39,-3.0203322148103844
Cc1cc(NC(=O)c2cc3c(=O)n(CC(C)C)ccc3n2C)ccc1Br,C65118941_decoy,GCR,Decoy,0,-10.5588,-3.73,-0.84,-4.509518572328517
O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(c2nc3cccnc3s2)C1,C65330703_decoy,GCR,Decoy,0,-9.9359,-3.55,-3.51,-4.199180715612568
CS[C@@H](C)c1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1,C67580230_decoy,GCR,Decoy,0,-10.347,-4.04,-2.58,-4.703293098867288
COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)C(C(=O)OC)=C1Nc2ccccc2N1,C03295023_decoy,GCR,Decoy,0,-11.0846,-8.39,-3.84,-8.555804262694437
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc5c(c4)CCC5)o3)cc2)ncn1,C00680046_decoy,GCR,Decoy,0,-12.6618,-4.1,-5.99,-5.339153389092104
COc1cc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc(Br)cc3)cc2)nc(OC)n1,C06126088_decoy,GCR,Decoy,0,-10.6015,-6.79,-4.27,-7.011071360969991
CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)Nc1ccc(OC(F)(F)F)cc1,C02928765_decoy,GCR,Decoy,0,-10.0309,-4.78,-3.5,-5.469590011232952
COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1,C02872334_decoy,GCR,Decoy,0,-13.5145,-8.56,-3.41,-8.668801752326491
COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1,C02872335_decoy,GCR,Decoy,0,-10.4181,-8.98,-4.25,-14.099805704008563
COc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)cc4)s3)CC2=O)cc1,C08908445_decoy,GCR,Decoy,0,-13.4485,-10.26,-2.26,-10.276068808151184
CCOc1ccc(NC(=O)CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1,C08909090_decoy,GCR,Decoy,0,-12.6175,-4.09,-4.36,-6.022044756572202
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)OC)CCCC3)cc1,C09297911_decoy,GCR,Decoy,0,-8.82288,-2.49,-4.32,-3.4733374242051624
COc1ccc(-c2nnc(S[C@H](CC(=O)NCc3ccco3)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1,C09489500_decoy,GCR,Decoy,0,-9.97418,-8.86,-3.46,-10.546763724503538
Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21,C09616401_decoy,GCR,Decoy,0,-7.91132,-10.11,-4.75,-7.0027001806256814
CCc1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccccc2Cl)c(=O)c2sccc21,C09971085_decoy,GCR,Decoy,0,-6.85815,-4.96,-4.74,-4.170385571768929
COc1ccc(-c2nnc(S[C@@H](CC(=O)NCc3ccco3)c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1,C12080497_decoy,GCR,Decoy,0,-11.7422,-6.31,-3.82,-9.431147874994863
COc1ccc(CCNC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C[C@H]2CCCO2)cc1OC,C06240127_decoy,GCR,Decoy,0,-9.58715,-9.73,-3.29,-13.43141594357627
Cc1ccc(N(C(=O)CSCC(=O)Nc2cc(C)on2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1,C12475539_decoy,GCR,Decoy,0,-10.9857,-5.5,-5.5,-6.03741551445871
CCOc1cccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c1,C12489969_decoy,GCR,Decoy,0,-11.6116,-3.55,-2.93,-5.919115829636965
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1,C12567286_decoy,GCR,Decoy,0,-12.8484,-5.38,-2.71,-7.114938780864635
CSCC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NCc1ccc(C)cc1,C12655564_decoy,GCR,Decoy,0,-10.802,-7.06,-4.42,-8.049504226560131
CCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1,C14645904_decoy,GCR,Decoy,0,-12.5266,-8.27,-2.94,-15.386697634346495
CCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(OC(C)C)c(Br)c1,C14769329_decoy,GCR,Decoy,0,-10.0719,-7.74,-4.92,-11.93052252038029
CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCCCO)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1OCC,C02137821_decoy,GCR,Decoy,0,-12.3931,2.31,-2.72,-5.8329590162238
C[C@H](NC(=S)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)c1ccccc1,C19940541_decoy,GCR,Decoy,0,-12.5036,-4.12,-2.7,-5.833984133456724
Cc1ccc(N(C(=O)C[S@@+]([O-])CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C(=O)NC2CCCC2)c(C)c1,C19941224_decoy,GCR,Decoy,0,-11.704,-5.62,-3.39,-6.513792039222483
O=C([O-])C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1,C20463346_decoy,GCR,Decoy,0,-9.78361,-3.97,-4.98,-4.6193948346586655
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCc3ccccc3)N2C1=O)NCc1ccccc1,C02967072_decoy,GCR,Decoy,0,-7.82889,-10.05,-4.08,-8.649358979741528
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)N(C)C)c1,C22525072_decoy,GCR,Decoy,0,-10.7083,-4.31,-4.42,-6.118395859760495
CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12,C30961237_decoy,GCR,Decoy,0,-10.14,-8.14,-3.86,-10.573121266595312
COC(=O)c1ccc2c(=O)n(CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c([S-])nc2c1,C32959237_decoy,GCR,Decoy,0,-8.01424,-5.89,-0.93,-4.5101058947186194
CCNC(=O)N(CCN1CCOCC1)CC(=O)/N=c1\[nH]c(-c2ccc(OC)cc2)cn1-c1ccc(F)cc1,C35695503_decoy,GCR,Decoy,0,-10.8827,-3.54,-3.63,-5.225082830152232
COC(=O)c1ccc2c([O-])n(CCC(=O)NCCN3CC[NH+](c4ccc(OC)cc4)CC3)c(=S)nc2c1,C32959240_decoy,GCR,Decoy,0,-10.6895,-2.99,-3.17,-4.496591478427627
COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H]2C(=O)N(CCCOC(C)C)[C@@H]4C(=O)N[C@H]2CCCC[C@H]2C)c1,C36066448_decoy,GCR,Decoy,0,-7.34328,-6.34,-2.96,-4.943805168073856
CCCCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,C36493997_decoy,GCR,Decoy,0,-6.94092,-3.16,-4.21,-3.1505750250435858
O=C(NCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1)c1ccccc1,C36504400_decoy,GCR,Decoy,0,-6.07019,-3.99,-4.55,-3.3774786608306173
O=C(NCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2)c1ccccc1,C36504462_decoy,GCR,Decoy,0,-5.49247,-3.93,-4.98,-3.627985220527894
CCCN(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1,C36570873_decoy,GCR,Decoy,0,-7.09374,-3.61,-2.98,-3.864798152251702
CCCN(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCO2,C36570893_decoy,GCR,Decoy,0,-8.69561,-2.13,-3.25,-3.740771738424675
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)c1ccc(O)cc1,C36597248_decoy,GCR,Decoy,0,-8.43089,-4.16,-4.63,-4.74459771721529
Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c(=O)c2ccccc21,C08593636_decoy,GCR,Decoy,0,-12.3135,-2.67,-4.39,-5.978523298475484
CC1=C[C@H](NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4cccs4)C(=O)N23)N=N1,C39556147_decoy,GCR,Decoy,0,-12.1155,-8.53,-3.91,-9.11548230199676
C=CCn1c(S[C@@H](CC)C(=O)Nc2nnc(C)s2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C,C39762585_decoy,GCR,Decoy,0,-11.7073,-6.48,-3.69,-12.013019414883631
CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)NC[C@H]2CCCO2)CCCC3)cc1OCC,C39992682_decoy,GCR,Decoy,0,-9.4919,-3.84,-4.16,-4.511493479776075
CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OCC,C38701794_decoy,GCR,Decoy,0,-6.57134,-2.28,-3.41,-2.694633353700409
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(N3CCCCC3=O)c2)N2CCc3ccccc32)cc1,C49504683_decoy,GCR,Decoy,0,-6.5616,-5.14,-3.97,-3.727411722242716
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)N2CCc3ccccc3C2)cc1,C49504714_decoy,GCR,Decoy,0,-10.6092,-0.47,-4.56,-4.465818565592669
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)c1ccc(Cl)cc1)n2C[C@@H](O)COc1ccc(Cl)cc1,C00632669_decoy,GCR,Decoy,0,-11.3076,-6.57,-3.73,-9.069291644102426
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)cc1,C57316333_decoy,GCR,Decoy,0,-12.1462,-6.76,-3.04,-6.946802567124606
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12,C59293220_decoy,GCR,Decoy,0,-6.42175,-3.35,-1.36,-3.4002354964928294
CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC(C)C)c2=O)cc1,C35427858_decoy,GCR,Decoy,0,-6.8444,-4.37,-3.84,-4.141199883899635
CCc1ccccc1NC(=O)Cn1nc2n(CC(C)C)c(=O)c3ccc(C(=O)N[C@@H](C)CC)cc3n2c1=O,C45943414_decoy,GCR,Decoy,0,-6.35683,-3.4,-3.82,-3.403623894616073
CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1,C67189979_decoy,GCR,Decoy,0,-9.23756,-5.0,-2.94,-5.594646708171751
CCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCC3=CCCCC3)c(=O)c2c1,C06296632_decoy,GCR,Decoy,0,-12.0784,-4.39,-2.56,-6.28959134311888
COc1cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC,C02840714_decoy,GCR,Decoy,0,-12.4658,-4.92,-2.31,-6.978820786217343
COc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccc(C)cc3Cl)c2=O)cc1,C08756991_decoy,GCR,Decoy,0,-10.7227,-5.21,-3.35,-5.468407766372809
COc1cccc(NC(=O)CSc2nc(CC(=O)Nc3nc4ccc(C)cc4s3)cs2)c1,C08851168_decoy,GCR,Decoy,0,-11.489,-3.93,-3.27,-5.056262040180466
O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)Nc1ccccc1C(=O)NC1CC1,C08989082_decoy,GCR,Decoy,0,-9.79263,-7.34,-4.21,-7.169462633477327
CCN(CC)c1ccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccc(OC)cc4)nc32)c(C)c1,C08979471_decoy,GCR,Decoy,0,-8.29858,-5.7,-3.68,-4.516623638655127
CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)n1,C09431828_decoy,GCR,Decoy,0,-12.7045,-3.39,,99.0
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc3ccc(F)c(Cl)c3)ccc21,C09692221_decoy,GCR,Decoy,0,-10.6898,-7.72,-2.52,-9.162084952949511
Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(NC(=O)/C=C/c2ccccc2)cc1,C01158481_decoy,GCR,Decoy,0,-10.254,-4.9,-2.56,-4.69908101923828
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)s2)cc1C,C10557944_decoy,GCR,Decoy,0,-10.341,5.38,-3.18,-1.9421940413475025
CCOCCCN1C(=S)N[C@H](c2cccc(Br)c2)C(C(=O)Nc2cc(C)on2)=C1C,C11558569_decoy,GCR,Decoy,0,-10.5553,-3.44,-2.7,-9.204599344431667
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[nH]2)sc2c1CCCCC2,C12464301_decoy,GCR,Decoy,0,-11.213,-6.36,-2.4,-9.403536779803204
Cc1ccc(NS(=O)(=O)c2cc(NC(=O)COCc3nc4ccccc4s3)ccc2C)c(C)c1,C09220128_decoy,GCR,Decoy,0,-10.435,-4.73,-2.27,-5.856399982307059
C=CCn1c(SCC(=O)NNC(=O)c2ccccc2F)nc2sc(-c3ccccc3)cc2c1=O,C12806739_decoy,GCR,Decoy,0,-7.64683,-5.21,-2.47,-4.410882949068547
C=CCNC(=O)NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F,C09023439_decoy,GCR,Decoy,0,-11.2269,-4.81,-4.7,-7.533547596108056
Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)o1,C13506397_decoy,GCR,Decoy,0,-9.42728,-5.41,-2.71,-7.302991092390403
Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1,C14357071_decoy,GCR,Decoy,0,-10.9926,-7.21,-1.26,-7.2430475336645
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br,C14653677_decoy,GCR,Decoy,0,-11.059,-6.93,-1.69,-8.063947252244622
Cc1c(C(=O)N[C@H](C)c2nnc(SCCOc3ccc(F)cc3)n2C)[nH]c2ccc(Cl)cc12,C15072516_decoy,GCR,Decoy,0,-11.5315,-3.17,-4.07,-4.70323145232214
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)cc2)cc1,C15153601_decoy,GCR,Decoy,0,-12.5441,-9.91,-4.45,-10.283371236999717
C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(C[C@H](O)COc2ccc(Br)cc2)C1=O,C15235064_decoy,GCR,Decoy,0,-8.24422,-2.43,-1.37,-3.721945444939757
O=C(CCSc1ccccc1)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1,C17971882_decoy,GCR,Decoy,0,-12.1121,-6.86,-0.92,-9.59079565762371
Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3cc(C)ccc3C(C)C)CC2)c1,C20034454_decoy,GCR,Decoy,0,-12.4859,-7.36,-3.94,-9.530485465158469
Cc1nn(CC(=O)O/N=C(\N)c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1Br,C20294268_decoy,GCR,Decoy,0,-8.97772,-7.36,-4.74,-5.909859831809026
CCOC(=O)c1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)sc2c1CCC2,C20571309_decoy,GCR,Decoy,0,-10.6587,-1.6,-4.62,-4.272260937946967
C=CCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2scc(-c3ccccc3)c2c1=O,C20819316_decoy,GCR,Decoy,0,-6.504,-4.45,-2.94,-3.563808766062949
Cc1ccc(C)c(NC(=S)/N=C(/Nc2nc(C)cc(C)n2)N2CCN(Cc3ccccc3)CC2)c1,C14159558_decoy,GCR,Decoy,0,-8.63802,-4.15,-2.63,-4.498391954126191
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1,C22699772_decoy,GCR,Decoy,0,-11.8002,-4.7,-5.14,-6.159081670584872
O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O,C23410617_decoy,GCR,Decoy,0,-10.9456,-6.02,-4.12,-6.350332714134646
O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)NCCC(c1ccccc1)c1ccccc1,C24177139_decoy,GCR,Decoy,0,-10.4197,-8.26,-2.15,-8.025504517323549
CCCOc1ccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC,C27224946_decoy,GCR,Decoy,0,-6.58848,-3.75,,99.0
O=C(CCC1CCCC1)N[C@@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1,C34905187_decoy,GCR,Decoy,0,-10.6491,-3.34,-3.81,-4.577497209016523
CCCCNC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(Br)cc2)[C@@H](C)CC)C[C@H]1C,C35098303_decoy,GCR,Decoy,0,-9.15206,-6.2,-2.63,-12.1377830626597
O=C(CCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N[C@H]1CCCCNC1=O,C35172803_decoy,GCR,Decoy,0,-11.0112,-9.88,-2.01,-15.72988440563113
Cc1ccc(CN(C(=O)c2ccc(O)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)o1,C36597387_decoy,GCR,Decoy,0,-11.7553,-4.04,-1.97,-5.77589537596684
CCC[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cc1Cl,C36796502_decoy,GCR,Decoy,0,-10.2426,-9.67,-1.66,-11.132777032502773
O=C(CSc1nnc(Nc2ccc(SC(F)F)cc2)s1)Nc1ccc2c(c1)OCCCO2,C36826112_decoy,GCR,Decoy,0,-12.6874,-5.39,-3.18,-6.160579920706662
CC(C)CN1C(=O)/C(=N\NC(=O)CCCNC(=O)c2ccccc2Br)c2ccccc21,C33959090_decoy,GCR,Decoy,0,-10.0862,-7.59,-4.46,-8.273623416499552
O=C(NCCc1ccccc1)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1,C38638432_decoy,GCR,Decoy,0,-10.0468,-6.21,-3.13,-5.850168888267087
CCc1ccccc1-n1nc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1-c1ccc2c(c1)CCCC2,C39197492_decoy,GCR,Decoy,0,-7.88275,-3.29,-4.09,-3.8502420523366014
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)cc1,C36673947_decoy,GCR,Decoy,0,-9.63123,-4.64,-4.28,-6.313831440400528
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2,C39611766_decoy,GCR,Decoy,0,-10.7472,-6.57,-2.86,-8.347552911486122
Cc1cc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3ccc(C(C)C)c(C)c3)CC2)ccc1C(C)C,C22942209_decoy,GCR,Decoy,0,-11.0388,-4.73,-3.94,-5.583431670759891
Cc1cccc(C)c1NC(=O)N[C@@H](C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1)C(C)C,C40356435_decoy,GCR,Decoy,0,-5.26651,-6.33,-4.24,-4.2484767889927575
C[NH+]1CCN(c2ccccc2C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1,C44322019_decoy,GCR,Decoy,0,-6.82083,-6.23,-3.74,-4.606533165173639
COc1ccc(Cl)cc1NC(=O)CCS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1,C46587062_decoy,GCR,Decoy,0,-11.2453,-9.7,-3.04,-10.428256626597822
CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(-c4nnc([S-])n4CCC[NH+](C)C)cc3N2)cc1,C20028579_decoy,GCR,Decoy,0,-11.0394,-1.99,-3.85,-4.306058678530471
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1,C57328025_decoy,GCR,Decoy,0,-11.9916,-5.05,-4.48,-7.869998792533204
COc1ccc([C@H](CNC(=O)Cn2c([S-])nnc2-c2cccs2)C2=c3ccccc3=[NH+]C2)cc1,C64143966_decoy,GCR,Decoy,0,-12.0005,-8.85,-3.53,-10.42949586179792
CCCNC(=O)[C@H]1CCCN(c2ccc(SCC(=O)Nc3ccc(Br)cc3)nn2)C1,C65132080_decoy,GCR,Decoy,0,-11.9132,-8.12,-2.4,-8.72267084451392
Cc1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3ccccc3)n2S(=O)(=O)c2ccc(Br)cc2)cc1,C00873699_decoy,GCR,Decoy,0,-6.91025,-3.42,-4.37,-3.130776358724476
C[C@H](Sc1nnc(COc2ccccc2)n1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1,C02185071_decoy,GCR,Decoy,0,-8.59413,-6.36,-2.62,-7.818015455488165
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3,C01935597_decoy,GCR,Decoy,0,-13.4561,-4.61,-3.63,-6.085902990857886
Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2ccc(N(C)C)cc2)cc1,C09080263_decoy,GCR,Decoy,0,-9.82985,-4.19,-2.0,-4.950808244648738
CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1,C09080599_decoy,GCR,Decoy,0,-10.1863,-2.51,-2.69,-4.152002588045542
O=C(CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1)N1CCc2ccccc21,C09390921_decoy,GCR,Decoy,0,-5.1499,-3.76,-4.33,-2.5071907610713224
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O)NCCc1ccc(Cl)cc1,C09616339_decoy,GCR,Decoy,0,-10.5051,-8.6,-3.68,-8.075271696785542
C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1,C12643760_decoy,GCR,Decoy,0,-7.28904,-4.61,-4.57,-4.25461156814415
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc4ccccc34)n2-c2ccc(C)cc2)cc1,C09186525_decoy,GCR,Decoy,0,-9.99955,-3.61,-1.83,-4.362334988522146
C[C@@H](Sc1nc2ccccc2s1)C(=O)N(Cc1ccco1)C1(C(=O)Nc2ccccc2)CCCCC1,C13896156_decoy,GCR,Decoy,0,-8.04434,-8.84,-3.25,-6.195524496682565
CCOc1ccc(C[C@@]2(CCc3ccncc3)C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1,C16293477_decoy,GCR,Decoy,0,-11.0626,-3.73,-2.8,-4.987102308237713
CC[C@H](C)CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1=O,C16647661_decoy,GCR,Decoy,0,-12.7374,5.97,-3.97,-3.2693423841991813
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2c1CC[C@@H](C)C2,C17297547_decoy,GCR,Decoy,0,-9.5685,-4.49,-5.29,-4.746239265010741
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1,C18250760_decoy,GCR,Decoy,0,-5.27488,-3.14,,99.0
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1,C08738049_decoy,GCR,Decoy,0,-7.51011,-5.41,-4.09,-4.610431379846509
O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1cccc(F)c1)S2(=O)=O)NCc1ccccc1,C20982525_decoy,GCR,Decoy,0,-12.7121,-11.65,-2.2,-16.912010122549802
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c2ccc(C(C)C)cc2)cc1,C22319572_decoy,GCR,Decoy,0,-6.20672,-5.27,-4.64,-4.044721929132292
Cc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(C(C)C)cc3)=NC2=O)c(C)c1,C28067302_decoy,GCR,Decoy,0,-7.66903,-4.19,-3.93,-3.930450561082649
Cc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C(C)C)cc3)=NC2=O)cc1,C28156221_decoy,GCR,Decoy,0,-9.27648,10.09,-4.6,0.2518967208348195
CC(C)CCNC(=O)c1ccc2c(=O)n(-c3cccc(F)c3)c(SCC(=O)c3ccc(F)cc3)nc2c1,C32944516_decoy,GCR,Decoy,0,-7.04777,-1.43,-4.81,-2.7052488428031074
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1)C(=O)NC1CCCCC1,C33380621_decoy,GCR,Decoy,0,-11.3929,-4.23,-4.75,-5.203640288020264
CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@H](CC(C)C)C(=O)N1CCC(C)CC1)C2=O,C34791442_decoy,GCR,Decoy,0,-9.87709,-4.35,-4.56,-4.90725038317842
COCCN(C(=O)Nc1ccc(SC)cc1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1,C35059988_decoy,GCR,Decoy,0,-7.24625,-2.56,-4.27,-3.121523225739041
Cc1ccc(NC(=O)N(CCC(C)C)CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2)cc1,C35742402_decoy,GCR,Decoy,0,-6.91735,-2.61,-2.95,-3.446169126725524
Cc1ccc(NC(=O)c2coc(COc3ccc4c(c3)[C@H](c3ccc(C)cc3)N(C(=O)C3CC3)CC4)n2)cc1,C35862533_decoy,GCR,Decoy,0,-8.61625,-4.6,-1.39,-4.019848271692535
Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1,C36053834_decoy,GCR,Decoy,0,-10.7055,-5.32,-2.77,-5.117203352031476
Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)Nc2cccc(Cl)c2)cc1,C36122927_decoy,GCR,Decoy,0,-11.8608,-1.79,-4.7,-4.428227583805133
CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C(=O)Nc1ccc(C)cc1,C36123387_decoy,GCR,Decoy,0,-9.89081,-3.2,-4.8,-4.559632722860984
CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1,C36123765_decoy,GCR,Decoy,0,-6.44639,-6.11,-3.74,-4.801986649627871
CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1,C36123777_decoy,GCR,Decoy,0,-6.20993,-2.74,-0.7,-3.3225271040658946
CCC(=O)N(C1CCCCC1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1c(Cl)cccc1Cl,C36493240_decoy,GCR,Decoy,0,-10.2415,-4.46,-4.4,-5.241037770588988
CCCCC[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C)C(=O)Cc1ccc(Br)cc1,C36528475_decoy,GCR,Decoy,0,-9.74852,-4.51,-4.22,-5.080506547870545
Cc1ccc(CN(C(=O)CCl)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C(c2ccccc2)c2ccccc2)o1,C36599951_decoy,GCR,Decoy,0,-5.69559,-3.0,-2.15,-3.200307244818073
CSN1CCC(CN2C(=O)N(S(=O)(=O)C(C)C)C[C@@]2(C)c2ccccc2O)(C2CCCCC2)CC1,C39488167_decoy,GCR,Decoy,0,-10.5985,-2.3,-4.1,-4.3878131829937095
CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CCN(CC)C4)cc1,C39869513_decoy,GCR,Decoy,0,-11.6645,-2.66,-2.63,-4.656198540857459
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1,C39992718_decoy,GCR,Decoy,0,-7.70525,0.03,-4.18,-2.5586271685756112
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N(Cc2cccnc2)C3=O)cc1,C40341833_decoy,GCR,Decoy,0,-6.91766,-3.06,-4.41,-2.954772974677247
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4Cl)cc2)N(Cc2ccncc2)C3=O)cc1,C40341850_decoy,GCR,Decoy,0,-7.26745,-3.63,-3.14,-3.5870919895952995
COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc(Br)c1OCc1ccccc1,C40912367_decoy,GCR,Decoy,0,-11.8185,-6.72,,99.0
C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1Br,C40978220_decoy,GCR,Decoy,0,-10.9818,-7.9,-1.45,-8.114993616770775
CC(C)[C@@H](C)NC(=O)CSc1nc(Cl)cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1,C35730218_decoy,GCR,Decoy,0,-12.4712,-3.57,-4.91,-5.8676600753907735
Cc1ccccc1CC(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl,C36605536_decoy,GCR,Decoy,0,-10.1152,-4.45,-2.98,-4.897544586870657
COC(=O)c1c(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)sc2c1CCCC2,C54646127_decoy,GCR,Decoy,0,-7.1524,-3.02,-4.1,-3.2706536042201417
COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)CCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C,C54647999_decoy,GCR,Decoy,0,-12.1415,-3.44,-2.61,-5.446360957032537
Cc1cccc(C)c1N(CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C)S(C)(=O)=O,C58853616_decoy,GCR,Decoy,0,-10.0646,-6.79,-2.13,-5.9013404904113695
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2cc(Cl)cc(Cl)c2)cc1,C19926480_decoy,GCR,Decoy,0,-10.3616,-3.92,-4.7,-5.113707574080256
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)sc(C)c1C,C58961259_decoy,GCR,Decoy,0,-10.2875,-3.63,-4.53,-5.0074576920537375
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccco2)cc(C(F)(F)F)n1,C58966553_decoy,GCR,Decoy,0,-11.0127,-5.21,-4.07,-5.9503037936810586
C[C@H](NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CCC2)c1ccccc1,C12311503_decoy,GCR,Decoy,0,-12.2004,18.19,-3.51,3.5919578458184245
CCOc1cccc2c1Oc1c(c(=O)n(-c3ccc(CC)cc3)n1CC(=O)Nc1cccc3ccccc13)C2,C45994674_decoy,GCR,Decoy,0,-10.7393,2.32,-3.06,-2.967693420436772
Cc1cc(SCC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)cc1Br,C03448225_decoy,GCR,Decoy,0,-11.2711,-6.14,-2.21,-6.822896019157092
CC1(C)CCc2c(cc(OCC(=O)N[C@H](C(=O)NCCO)c3ccccc3)c3c4c(c(=O)oc23)CCC4)O1,C09410475_decoy,GCR,Decoy,0,-7.46075,-3.47,-4.16,-3.941468415616513
Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCCc2ccccc2)n[nH]1,C09474713_decoy,GCR,Decoy,0,-10.0356,-7.44,-3.21,-8.888556859845272
O=C(CCc1ccccc1Cl)NC(=S)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1,C10012856_decoy,GCR,Decoy,0,-12.2927,-8.77,,99.0
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2)CC1=O,C10462355_decoy,GCR,Decoy,0,-11.4897,-5.28,-3.47,-5.12539085277969
CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2)CC1=O,C10462357_decoy,GCR,Decoy,0,-11.9236,-6.37,-3.48,-6.347116495150833
CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCc1ccc(NC(=O)C2CC2)cc1,C10778289_decoy,GCR,Decoy,0,-12.2093,-1.71,-3.04,-3.8860066361830494
COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2Br)cc(OC)c1OC,C12569896_decoy,GCR,Decoy,0,-10.3009,-6.49,-5.09,-7.014468169113833
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2nc(-c3ccco3)sc2C)c(=O)[nH]c1=O,C12739310_decoy,GCR,Decoy,0,-8.45166,-2.57,-3.84,-3.659747712609659
CCCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C12590658_decoy,GCR,Decoy,0,-8.32509,-3.88,-3.98,-3.979796235272088
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N21)C(=O)NCCOC,C12887698_decoy,GCR,Decoy,0,-5.9311,-3.98,-3.52,-3.1953179446160407
O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cc2[nH]c(=O)[nH]c2cc1Br,C13037781_decoy,GCR,Decoy,0,-9.61069,-7.92,-3.55,-9.390473165638326
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,C14274740_decoy,GCR,Decoy,0,-8.99448,-6.63,-2.06,-8.08482086776671
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)n1CC(C)C,C15280622_decoy,GCR,Decoy,0,-11.0447,-4.07,-3.76,-5.821925183397589
C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1sccc1C(N)=O,C15811614_decoy,GCR,Decoy,0,-11.5286,-9.14,-2.83,-6.762861901326684
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc1,C15913466_decoy,GCR,Decoy,0,-11.6815,-8.3,-4.48,-13.889368525061435
COCCOC(=O)c1c(NC(=O)COc2ccc(Br)cc2C=O)sc(C(N)=O)c1C,C16579806_decoy,GCR,Decoy,0,-11.3614,-8.25,-4.02,-10.435515475714356
CCCCCn1nc(C(=O)NNC(=O)CSCC(=O)Nc2ccccc2F)c2ccccc2c1=O,C17397695_decoy,GCR,Decoy,0,-12.006,-9.15,-4.85,-10.072231149903509
CCCC(=O)Nc1cccc(C(=O)Nc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)s2)c1,C17971838_decoy,GCR,Decoy,0,-11.9035,-7.12,-3.81,-8.723590598772244
COc1ccc2cc(CN(C)C(=O)COC(=O)C[C@@H](NC(N)=O)c3ccc(Cl)cc3)ccc2c1,C18545706_decoy,GCR,Decoy,0,-9.24113,-9.51,-5.05,-8.673574658254068
COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2csc(-c3ccsc3)n2)c(=O)[nH]c1=O,C19201602_decoy,GCR,Decoy,0,-10.9762,-8.34,-4.3,-9.551188344707075
CCn1c(SCC(=O)Nc2ccc(CN3CCOCC3)cc2)nc2cc(S(N)(=O)=O)ccc21,C19352156_decoy,GCR,Decoy,0,-13.6606,-3.43,-2.69,-6.092366538176744
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1,C20628789_decoy,GCR,Decoy,0,-11.4037,-9.23,-2.19,-8.88651831301727
CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1F,C23593653_decoy,GCR,Decoy,0,-12.79,-8.49,-5.12,-10.56720461204237
CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nc(C)c(CC(N)=O)s1,C24901629_decoy,GCR,Decoy,0,-12.1185,-7.92,-7.64,-9.74461510324364
O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NC1CC1,C26990365_decoy,GCR,Decoy,0,-7.80706,-8.38,-2.54,-5.808432280242699
O=C(CNC(=O)NCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O,C27817187_decoy,GCR,Decoy,0,-10.471,-5.4,-0.94,-6.964738461740166
CCOc1ccc(-n2c(SCC(=O)Nc3sccc3C(N)=O)nc3ccccc3c2=O)cc1,C28614764_decoy,GCR,Decoy,0,-7.00473,-6.04,-2.7,-4.843508731587111
CCOCC(=O)N[C@H]1CN(CC(C)C)c2ccccc2N(CC(=O)NCCc2ccc(O)cc2)C1=O,C39225746_decoy,GCR,Decoy,0,-10.2506,-3.7,-2.08,-5.006225118775022
O=C([O-])CCCCCNC(=O)[C@@H]1CN(C(=O)c2cccc(Br)c2)CC12CC[NH2+]CC2,C39660016_decoy,GCR,Decoy,0,-9.9797,-3.99,-4.06,-5.0701056899310295
CCOc1cc(/C=N/NC(=O)CCCNC(=O)c2ccc(OC)c(OC)c2)cc(Br)c1O,C39724899_decoy,GCR,Decoy,0,-9.36709,-6.28,-4.38,-5.456617705650404
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OCC)cc2)S/C1=N/c1ccc(S(N)(=O)=O)cc1,C33379393_decoy,GCR,Decoy,0,-11.4031,-9.21,-3.79,-9.36356707300789
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C(N)=O)cc1,C39737874_decoy,GCR,Decoy,0,-11.163,11.47,-4.61,0.1576033276749274
CC(C)Cn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](CO)NC(=O)c1ccc(Cl)cc1,C39742448_decoy,GCR,Decoy,0,-10.437,-6.35,-3.84,-8.033306446394613
COc1ccc(NC(=O)CSc2nnc([C@@H](CO)NC(=O)c3ccc(Cl)cc3)n2CC(C)C)cc1,C39750639_decoy,GCR,Decoy,0,-11.8321,-7.33,-3.9,-12.358232377198698
COC(=O)CC[C@@H]1S[C@H](NC(=O)CSc2nc3ccccc3[nH]2)N[C@@H]1c1ccc(OC)cc1,C39929693_decoy,GCR,Decoy,0,-9.44016,-6.65,-0.95,-7.179641366512749
COC(=O)CC[C@@H]1S[C@H](NC(=O)CSc2nc3ccccc3[nH]2)N[C@H]1c1ccc(OC)cc1,C39929694_decoy,GCR,Decoy,0,-9.85978,-4.74,-1.35,-5.557783459628881
C[C@]1(NC(=S)Nc2ccc(OC(=S)N[C@]3(C)CCS(=O)(=O)C3)cc2)CCS(=O)(=O)C1,C40167017_decoy,GCR,Decoy,0,-9.89432,-8.24,-3.88,-9.317392226205843
CCOC(=O)Cc1csc(NC(=O)[C@H](C)n2c(N)nnc2SCc2ccccc2Cl)n1,C40173062_decoy,GCR,Decoy,0,-10.3997,-8.62,-3.74,-11.118832665264968
Cc1ccc(SCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c(C)c1,C40457489_decoy,GCR,Decoy,0,-10.7899,-6.12,-1.95,-7.746653854904738
COC(=O)[C@H](CCCCn1c(-c2csc(-c3ccc(C)cc3)n2)cc(C(N)=O)c1C)NC(C)=O,C43212808_decoy,GCR,Decoy,0,-10.4998,-8.1,-2.49,-10.13057638382054
COc1ccc(NC(=O)N2CCN(CC(=O)c3cc(C(N)=O)c(C)n3Cc3ccco3)CC2)cc1,C43254810_decoy,GCR,Decoy,0,-9.64629,-3.5,-4.63,-4.445148109158611
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)Cc1cccc2ccccc12,C45591193_decoy,GCR,Decoy,0,-8.48915,-9.97,-2.89,-8.689666496156454
CCCn1c(CCC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)nc2cc(S(N)(=O)=O)ccc21,C46617750_decoy,GCR,Decoy,0,-11.3968,-7.31,-3.23,-8.324495563409025
CN(CC(=O)NNC(=S)NCCc1cccs1)S(=O)(=O)c1ccc(Br)cc1,C46768426_decoy,GCR,Decoy,0,-11.4423,-4.49,-5.44,-4.924450165159558
COCCN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C57329076_decoy,GCR,Decoy,0,-9.49832,-3.78,-4.1,-4.912881965049684
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)cc1OC,C58987661_decoy,GCR,Decoy,0,-12.0917,-7.5,-2.64,-8.58501651627828
O=C(COc1ccc(Br)cc1Cl)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-],C13979202_decoy,GCR,Decoy,0,-9.18629,-8.75,-2.77,-9.12942256810784
NC(=S)NN=C1c2cc(OCCN3CCOCC3)ccc2-c2ccc(OCCN3CCOCC3)cc21,C13136501_decoy,GCR,Decoy,0,-13.4853,-7.69,-1.19,-15.065635538040832
CCSc1nn(CC(=O)Nc2c(C)cc(C)cc2C)c(N)c1S(=O)(=O)c1ccc(OC)cc1,C35504263_decoy,GCR,Decoy,0,-11.7132,-3.0,-5.18,-4.925272078687391
CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N(C(=O)C=C(C)C)C2)c1,C03839085_decoy,GCR,Decoy,0,-10.1711,-2.99,-2.39,-3.95814619543275
NC(=O)c1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)cc1,C03246184_decoy,GCR,Decoy,0,-12.0034,-8.53,-4.69,-14.17509919630937
CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2,C06074982_decoy,GCR,Decoy,0,-10.8571,-3.12,-3.66,-4.905382621473746
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1,C06546820_decoy,GCR,Decoy,0,-11.1979,-8.43,-2.47,-10.108401109624548
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3cccs3)[nH]2)C2CCCC2)c(=O)[nH]c1=O,C08709062_decoy,GCR,Decoy,0,-11.1096,-8.49,-4.12,-10.996033435677836
COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C,C12467462_decoy,GCR,Decoy,0,-9.80183,-7.27,-4.43,-5.587830617630988
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(O)cc1,C12473789_decoy,GCR,Decoy,0,-9.8718,-3.6,-4.26,-4.93955200859583
Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(O)cc1,C12473793_decoy,GCR,Decoy,0,-6.82803,-3.27,-4.38,-3.0096811899659186
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1,C12476972_decoy,GCR,Decoy,0,-7.80261,-7.27,-4.22,-5.441311863074226
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1,C12476978_decoy,GCR,Decoy,0,-6.95891,-7.75,-5.15,-5.2081800533455205
NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N,C12703675_decoy,GCR,Decoy,0,-10.8442,-2.98,-2.88,-4.6371893031796985
NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1N,C12710885_decoy,GCR,Decoy,0,-10.0366,-3.49,-4.07,-4.923124453397874
Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(C)o2)cc1,C12715108_decoy,GCR,Decoy,0,-11.5376,-2.17,-4.63,-4.843888576558323
N#Cc1c(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)n[nH]c1N,C09915539_decoy,GCR,Decoy,0,-11.9169,-8.28,-2.23,-8.310709043862651
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O,C16819437_decoy,GCR,Decoy,0,-10.2082,-7.51,-3.57,-9.332056636047724
Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)Nc1ccc(I)cc1,C20527297_decoy,GCR,Decoy,0,-10.9297,-9.15,-4.01,-11.291789471826576
COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)c1,C20527496_decoy,GCR,Decoy,0,-12.8295,-9.17,-2.34,-8.50961780765787
C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1O,C20527556_decoy,GCR,Decoy,0,-12.8656,-8.31,-2.98,-10.263648675337953
CN(C)c1ccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1,C20832763_decoy,GCR,Decoy,0,-13.01,-8.0,-3.8,-7.776942471857076
COC(=O)c1c(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)sc2c1CCCC2,C20906757_decoy,GCR,Decoy,0,-12.6962,-8.91,-4.14,-8.869781459498707
Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCCC(=O)NCc1ccc2c(c1)OCO2,C20912905_decoy,GCR,Decoy,0,-11.3569,-9.31,-2.17,-12.0735700911563
Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)N[C@H]1CCCc2ccccc21,C20916959_decoy,GCR,Decoy,0,-9.02781,-8.46,-3.09,-6.269760169199152
O=C(CCSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)Nc1cccc(N2CCCC2=O)c1,C21076793_decoy,GCR,Decoy,0,-11.1372,-9.65,-5.27,-8.36584815851759
Nn1c(N/N=C/c2ccc(Br)cc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1,C21316060_decoy,GCR,Decoy,0,-9.58656,-9.09,-3.12,-7.995119756886231
COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)cc1O,C21316865_decoy,GCR,Decoy,0,-12.7701,-9.33,-3.08,-8.465403207624945
CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2N)c(O)c1,C21325877_decoy,GCR,Decoy,0,-10.5894,-7.01,-1.53,-6.354367758437302
O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2ccco2)c1,C22617737_decoy,GCR,Decoy,0,-9.41359,-9.46,-2.02,-15.20289472860096
Nn1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)Nc1ccc(Br)cc1,C22987383_decoy,GCR,Decoy,0,-10.9639,-7.02,-1.93,-9.223661084707787
C[C@@H](OC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1,C23642139_decoy,GCR,Decoy,0,-9.87064,-6.92,-2.38,-7.999398956934854
C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1,C23642145_decoy,GCR,Decoy,0,-8.0443,-8.27,-1.78,-7.766091687464973
COc1cc(/C=C/C(=O)OCc2nc(N)c3c4c(sc3n2)CCCCC4)ccc1OCC(N)=O,C25857906_decoy,GCR,Decoy,0,-12.1896,-6.07,-3.99,-6.744928141732276
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2c(O)cc(O)cc2O)N(C)C(=O)c2ccc(O)cc2)cc1,C36530692_decoy,GCR,Decoy,0,-10.3015,-4.29,-2.47,-5.082300485351976
CCCCNC(=O)[C@@H](c1c(O)cc(O)cc1O)N(Cc1ccc(C)o1)C(=O)c1ccc([N+](=O)[O-])cc1,C36603027_decoy,GCR,Decoy,0,-10.8105,-2.8,-4.23,-4.887172823749586
Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)o1,C12714868_decoy,GCR,Decoy,0,-11.3186,-5.43,-4.16,-5.808985086766326
COc1cc([C@H](O)CCO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc2cc(-c3ccc4c(c3)OCO4)oc12,C35456607_decoy,GCR,Decoy,0,-10.502,-6.15,-1.49,-5.584625811000648
COc1ccc(N2C(SCC(=O)Nc3cc(C)ccc3C)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1,C39362292_decoy,GCR,Decoy,0,-9.47199,-7.67,-4.89,-7.773265236482953
CCOc1ccc(N2C(SCC(=O)NCc3ccco3)=NN[C@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1,C39362566_decoy,GCR,Decoy,0,-10.444,-4.2,-3.61,-5.300602023640976
NC(=O)c1c(NC(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)sc2c1CCC2,C39481826_decoy,GCR,Decoy,0,-10.9925,-6.43,-3.66,-7.362221495379329
O=C(Oc1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2OC(=O)c2ccccc2)c(CO)c1)c1ccccc1,C39560169_decoy,GCR,Decoy,0,-9.52847,5.96,-3.75,-1.241256782864819
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O,C22001292_decoy,GCR,Decoy,0,-9.32327,-6.36,-2.03,-9.313383987889171
CCN1[C@@H](SCc2nc3ccccc3c(=O)[nH]2)NN[C@H]1[C@@H](CO)NC(=O)c1ccc(Cl)cc1,C39750382_decoy,GCR,Decoy,0,-8.52401,-9.11,-2.88,-8.550080886177645
CC[C@H](C(=O)Nc1scc(-c2ccc(C)cc2)c1C(N)=O)n1c(N)nnc1SCC(=O)OC,C40174060_decoy,GCR,Decoy,0,-10.0892,-9.23,-2.8,-6.390785887570123
C[C@H]1CCc2c(sc3nc(CSc4nnc(CCC(N)=O)n4C[C@H]4CCCO4)nc(N)c23)C1,C45842380_decoy,GCR,Decoy,0,-12.8389,-6.06,-3.62,-6.390067372404364
[NH3+][C@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@@H](c2cc(F)cc(F)c2)CC1,C49037428_decoy,GCR,Decoy,0,-10.7464,-4.09,-2.3,-5.150204700924523
CCCCn1c(N)c(N(Cc2cc(=O)oc3cc(NC(=O)OCC)ccc23)CC(C)C)c(=O)[nH]c1=O,C49785836_decoy,GCR,Decoy,0,-10.3884,19.53,-4.19,3.676396524843912
COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cc(Br)ccc3O)n2)cc1,C59016953_decoy,GCR,Decoy,0,-11.9643,-8.29,-2.92,-7.593792983512025
CC(C)NC(=O)CSc1n[nH]c(N/N=C/c2cc(Br)cc(Br)c2O)n1,C59018463_decoy,GCR,Decoy,0,-11.6985,-8.42,-1.88,-8.3778300212465
Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1N,C59914590_decoy,GCR,Decoy,0,-12.4858,-8.32,-3.36,-7.849494253825059
CC1CCC(NS(=O)(=O)c2ccc(NCCCNC(=O)c3cccc(O)c3)c([N+](=O)[O-])c2)CC1,C62613869_decoy,GCR,Decoy,0,-11.5173,-5.62,,99.0
C=CCN1C([C@@H]2COc3ccccc3O2)=NN[C@H]1SCC(=O)N[C@@H]1O[C@H](C)C2=C1C(=O)NN[C@@H]2C,C38663622_decoy,GCR,Decoy,0,-10.6786,-8.88,-1.74,-15.146352049436349
COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)N2CCC(C(N)=O)CC2)cc1,C04222146_decoy,GCR,Decoy,0,-8.42258,-3.34,-3.24,-3.784222214248653
COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)N2CCC(C(N)=O)CC2)cc1,C04222322_decoy,GCR,Decoy,0,-9.21859,-2.4,-3.88,-3.475215200958418
CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O,C02964504_decoy,GCR,Decoy,0,-6.85347,-5.99,-2.5,-4.486976497831299
CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O,C02964626_decoy,GCR,Decoy,0,-12.0312,-2.28,-2.87,-4.781614489422044
CCOc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1,C06601391_decoy,GCR,Decoy,0,-7.40967,-1.87,-3.72,-2.6428165292129777
CCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1,C06601619_decoy,GCR,Decoy,0,-7.97494,-2.6,-1.39,-3.394856014266962
CCOc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1,C06601655_decoy,GCR,Decoy,0,-7.16542,-1.31,-2.38,-3.089359779738688
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1,C06822095_decoy,GCR,Decoy,0,-10.9596,-4.79,-4.05,-8.427059373836116
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1,C06822141_decoy,GCR,Decoy,0,-8.09892,-6.94,-3.28,-5.726688918999201
COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1,C07059561_decoy,GCR,Decoy,0,-12.3962,-6.82,-3.35,-10.05202608556736
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1,C08819272_decoy,GCR,Decoy,0,-11.4904,-6.96,-5.01,-7.50524801747504
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCc2ccc(O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1,C09080715_decoy,GCR,Decoy,0,-9.92597,-5.26,-5.31,-6.685590719833356
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OC)C3)cc1,C09325333_decoy,GCR,Decoy,0,-11.3018,-2.9,-1.86,-4.955280272915328
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1,C12711417_decoy,GCR,Decoy,0,-12.3543,-3.35,-4.87,-5.465499847169821
O=C(CCCC(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)cc1)Nc1ccccn1,C13027706_decoy,GCR,Decoy,0,-8.56866,-4.43,-2.36,-5.046743906810308
O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1OCCc1ccccc1,C13623585_decoy,GCR,Decoy,0,-9.82128,-7.16,-4.62,-6.684897316338722
O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1,C13630168_decoy,GCR,Decoy,0,-10.8827,-7.36,-3.84,-7.3453005579477315
COCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br,C14661919_decoy,GCR,Decoy,0,-13.3437,-7.76,-4.07,-14.0523598530688
Cc1cc(OCC(=O)NCC(=O)NCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c3c(c(=O)oc2c1)CCC3,C02109688_decoy,GCR,Decoy,0,-8.29279,-5.14,-3.82,-4.447668451538883
Cc1ccc(NC(=S)Nc2cc(C(=O)NC3CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1C,C03045911_decoy,GCR,Decoy,0,-6.64394,-3.42,-4.55,-3.168039371686028
Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1,C20806768_decoy,GCR,Decoy,0,-10.189,-9.29,-3.15,-10.163112505430458
CC(C)CSc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)s1,C20912448_decoy,GCR,Decoy,0,-10.6056,-8.13,-2.81,-7.3951107880822065
Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCCC(=O)Nc1cccc(N2CCCC2=O)c1,C20912843_decoy,GCR,Decoy,0,-10.4573,-9.52,-3.18,-8.46216586137022
O=C(CSc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1)NNC(=O)c1ccc(F)cc1,C20923754_decoy,GCR,Decoy,0,-9.58792,-7.25,-1.82,-5.863339871056151
Nc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1,C33586132_decoy,GCR,Decoy,0,-9.91904,-5.42,-4.38,-5.500424887819388
CCNC(=O)N[C@H](CCCCNC(=O)NC1CCCCC1)C(=O)N1CCc2cc(OC)c(OC)cc2C1,C34951147_decoy,GCR,Decoy,0,-12.108,-2.94,-3.07,-5.636362220591444
C=C(C)C(=O)N(C1CCCCC1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(O)cc1O,C36491248_decoy,GCR,Decoy,0,-10.9874,-4.43,-3.01,-5.801346309365807
CCOc1ccc2nc(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)[nH]c2c1,C23080001_decoy,GCR,Decoy,0,-8.13625,-6.1,-2.57,-5.173071095752699
NN1[C@@H]([C@@H]2C=C(c3ccc(F)cc3)N=N2)NN[C@H]1SCC(=O)Nc1ccc(OCc2ccccc2)cc1,C38995140_decoy,GCR,Decoy,0,-10.0292,-2.96,-3.72,-4.470333632702642
Cc1ccc(C2=C[C@@H]([C@H]3NN[C@H](SCC(=O)Nc4ccc(OCc5ccccc5)cc4)N3N)N=N2)cc1,C39012398_decoy,GCR,Decoy,0,-13.5813,7.71,-3.06,-2.232637159488168
COc1cc([C@@H]2C(C#N)=C(N)OC3=C[C@@H](C)N(CCc4c(C)[nH]c5ccccc45)C(=O)[C@@H]32)cc(OC)c1OC,C39359544_decoy,GCR,Decoy,0,-5.91888,-2.86,-2.73,-2.5769591965461083
O=CC[C@@H](NC=O)c1ccc(-c2ccccc2O)c(S(=O)(=O)Oc2ccccc2)c1-c1ccccc1O,C39495768_decoy,GCR,Decoy,0,-8.03672,-2.25,-4.08,-3.548840355191403
O=CC[C@@H](NC=O)c1ccc(-c2ccccc2O)c(-c2ccccc2O)c1S(=O)(=O)Oc1ccccc1,C39498397_decoy,GCR,Decoy,0,-9.56848,-3.13,-4.03,-4.447221231817917
Cc1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H](CO)NC(=O)c3ccc(Cl)cc3)n2CC(C)C)cc1,C39762001_decoy,GCR,Decoy,0,-10.2482,-7.79,-4.02,-8.641160649680794
NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2csc3c2CCCCC3)n1C[C@@H]1CCCO1,C39966991_decoy,GCR,Decoy,0,-13.2351,-8.06,-2.75,-15.841486197692932
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N2CCN(CCO)CC2)c1N,C40688663_decoy,GCR,Decoy,0,-12.0048,0.02,-4.39,-4.344878148909221
Nc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)Nc3ccc([N+](=O)[O-])cc3)co2)cc1,C43216239_decoy,GCR,Decoy,0,-6.76012,-5.08,-3.48,-4.459988967960536
CSCC[C@H](NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21)C(=O)NC1CCCC1,C43746655_decoy,GCR,Decoy,0,-11.1846,-3.91,-2.97,-5.412048283076158
O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1cc(C(F)(F)F)ccc1O,C49021925_decoy,GCR,Decoy,0,-9.50798,-6.98,-5.17,-9.292519398558271
O=C(CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)NCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1,C15954761_decoy,GCR,Decoy,0,-10.299,-8.18,-3.73,-8.01673083679605
O=C(NC1CCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Br)cc1,C00902579_decoy,GCR,Decoy,0,-5.92922,-3.63,-3.22,-2.940456562238876
Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CCC(=O)Nc4sc5c(c4C(N)=O)CCC5)cc3)sc2c1,C03329616_decoy,GCR,Decoy,0,-12.7711,0.57,-2.36,-4.067981673663552
Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)n1N,C20912111_decoy,GCR,Decoy,0,-10.4471,-7.92,-2.88,-7.260996692853574
C=CCSc1nc2ccc(NC(=O)CSc3n[nH]c(N/N=C/c4ccc(O)cc4O)n3)cc2s1,C58994375_decoy,GCR,Decoy,0,-12.7737,-9.19,-4.28,-6.287276743103222
CCN(CC)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(Br)cc3)n[nH]2)c(O)c1,C59039025_decoy,GCR,Decoy,0,-12.5747,-7.24,-2.62,-7.19546961519095
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)NCc2ccccc2)[C@@H]1c1ccco1,C59294004_decoy,GCR,Decoy,0,-6.04376,-0.69,-5.09,-2.297288741149868
C[C@]1(C2=NO[C@H](CNc3ncc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1,C12856931_decoy,GCR,Decoy,0,-10.3342,-3.96,-5.17,-4.550219966145709
CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1Oc1c(N)n(C)c(=O)n(C)c1=O,C59599476_decoy,GCR,Decoy,0,-10.8165,-5.95,-2.49,-7.736644227260698
C[C@@H](Sc1n[nH]c(N/N=C/c2ccccc2OCc2cccc(Br)c2)n1)C(=O)NC1CC1,C59819436_decoy,GCR,Decoy,0,-9.74326,-6.61,-2.12,-7.230268910887381
Cc1ccccc1S(=O)(=O)Nc1ccc2[nH+]c(N3CCN(CC(=O)NC(C)C)CC3)cc(C(=O)[O-])c2c1,C33256380_decoy,GCR,Decoy,0,-11.6938,-3.51,-3.12,-5.638606679900016
CCOc1cc(Br)cc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1O,C03150173_decoy,GCR,Decoy,0,-11.6037,-5.06,-2.62,-6.550340711434576
CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)Nc2ccc(N(C)C)cc2)cc1,C03841942_decoy,GCR,Decoy,0,-8.49348,-8.43,-3.27,-9.069024399443004
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1,C02146138_decoy,GCR,Decoy,0,-12.3827,-8.01,-3.08,-6.263390342234186
COc1cc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(C)cc2)n3C)ccc1OCC(N)=O,C09249973_decoy,GCR,Decoy,0,-10.46,-4.91,-4.26,-5.678410945320257
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C(N)=O)cc1,C09472453_decoy,GCR,Decoy,0,-11.4923,-3.2,-2.13,-5.519440696895823
Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,C03404799_decoy,GCR,Decoy,0,-7.82119,-7.6,-3.06,-6.61387719361229
COc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)n2C)cc1,C09516800_decoy,GCR,Decoy,0,-12.2225,-6.43,-4.26,-9.530090944125842
COc1cc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC2C3CC4CC(C3)CC2C4)c(OC)cc1Cl,C09805510_decoy,GCR,Decoy,0,-11.0258,-6.5,-1.84,-6.325963564643343
C[C@H]1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)C[C@H](C)O1,C10458835_decoy,GCR,Decoy,0,-11.7139,-9.35,-2.32,-10.019587837757127
CCCCn1c(N)c(N(CCOC)Cc2cc3c(cc2Br)OCCO3)c(=O)[nH]c1=O,C10566853_decoy,GCR,Decoy,0,-10.3426,-8.7,-1.98,-9.678066910639153
CCCn1c(CCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc2cc(S(N)(=O)=O)ccc21,C10968631_decoy,GCR,Decoy,0,-11.2944,-3.97,-1.54,-5.587369182758366
CCn1c(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)nc2cc(S(N)(=O)=O)ccc21,C12601128_decoy,GCR,Decoy,0,-12.7981,-5.72,-1.87,-6.753084061861093
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCOC,C12887709_decoy,GCR,Decoy,0,-9.62297,-2.5,-3.06,-4.265237509533826
Cc1ccc(NC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)cc1S(=O)(=O)N1CCOCC1,C12976688_decoy,GCR,Decoy,0,-11.0335,-5.31,-4.23,-5.510728964942512
O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12,C10037824_decoy,GCR,Decoy,0,-11.3577,-3.88,-2.54,-5.195926574668539
COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1,C13630289_decoy,GCR,Decoy,0,-11.1872,-6.66,-4.21,-7.428992838356626
COc1cc(NC(=S)/N=C(\NC[C@@H]2CCCO2)Nc2nc(C)cc(C)n2)c(OC)cc1Cl,C14157486_decoy,GCR,Decoy,0,-10.2098,-5.23,-4.2,-6.978017311579863
COc1ccc(NC(=O)NCCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1,C14343015_decoy,GCR,Decoy,0,-10.8981,-6.96,-2.1,-7.025699498493132
CCCCn1c(N)c(N(CC(C)C)C(=O)CCCOc2ccc(Br)cc2)c(=O)[nH]c1=O,C14670030_decoy,GCR,Decoy,0,-10.3688,-3.63,-2.59,-5.562011294252301
CCCCN(C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C14720267_decoy,GCR,Decoy,0,-10.4035,-3.34,-3.66,-4.502112984700163
COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)cc(C)c2O)cc(OC)c1OC,C03080482_decoy,GCR,Decoy,0,-11.7447,-6.36,-1.81,-8.12223012501544
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1,C15230009_decoy,GCR,Decoy,0,-12.6665,-3.27,-2.97,-5.317028508071174
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1,C15529633_decoy,GCR,Decoy,0,-11.6665,-8.01,-2.52,-9.128668611528765
C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C(=O)Nc1sccc1C(N)=O,C16940070_decoy,GCR,Decoy,0,-11.6334,-8.86,-1.41,-9.706910440798309
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccc(F)cc2)c1,C17026639_decoy,GCR,Decoy,0,-10.0536,-8.6,-2.24,-9.173223551667672
COc1cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1O,C17406057_decoy,GCR,Decoy,0,-9.15699,-7.3,-2.91,-7.005406144817771
COc1cc(C(=O)NNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(C)C,C17818679_decoy,GCR,Decoy,0,-10.9224,-3.64,-2.99,-5.062300847407961
CC(C)CN(C(=O)COc1ccc(Br)cc1F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C18547919_decoy,GCR,Decoy,0,-10.2021,-4.34,-4.86,-5.531737380847308
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3csc(C)c3)n2C)sc(C(N)=O)c1C,C20168067_decoy,GCR,Decoy,0,-11.9654,-6.24,-3.51,-8.812913789662112
O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)NCc1ccc2c(c1)OCO2,C20436749_decoy,GCR,Decoy,0,-11.0907,-7.11,-3.31,-6.703975078303129
O=C(CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(Br)cc23)CC1)NC[C@@H]1CCCO1,C20720680_decoy,GCR,Decoy,0,-9.87135,-4.1,-3.4,-4.762328524273832
Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccc2Br)n[nH]1,C20904956_decoy,GCR,Decoy,0,-10.131,-6.56,-1.71,-7.250108690264857
Cc1cc(C(=O)CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)ccc1Br,C20911585_decoy,GCR,Decoy,0,-11.2527,-7.2,-4.26,-7.237614353165538
CCCn1c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21,C23044076_decoy,GCR,Decoy,0,-7.95902,-6.17,-2.72,-5.272912186167954
C[C@H]1CCc2sc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)c(C(N)=O)c2C1,C04177489_decoy,GCR,Decoy,0,-8.90857,-3.94,-2.26,-4.5817275918798295
CSc1nn(-c2ccccc2)cc1-c1nc(-c2cc(C(N)=O)c(C)n2CCNC(C)=O)cs1,C33772569_decoy,GCR,Decoy,0,-12.1305,-9.7,-1.79,-10.830199085850824
COc1ccc(-c2nc3c(s2)C[NH+]([C@H](C(=O)[O-])c2c[nH]c4cc(CO)ccc24)CC3)cc1OC,C36359980_decoy,GCR,Decoy,0,-11.8116,-3.08,-2.61,-4.537866847026017
O=C(NC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cc(-c2ccco2)nc2ccccc12,C12651252_decoy,GCR,Decoy,0,-12.0346,-4.77,-3.95,-6.275494520641805
NC(=O)c1c(NC(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)sc2c1CCC2,C02637242_decoy,GCR,Decoy,0,-12.2712,-8.35,-3.74,-8.954798872464849
CCc1cc2c(SCC(=O)N(CC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)ncnc2s1,C03408405_decoy,GCR,Decoy,0,-9.17818,-4.8,-5.24,-4.915544617735334
O=C([O-])CCCCCNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2,C39660175_decoy,GCR,Decoy,0,-9.88845,-3.9,-3.07,-4.722032828895086
O=C([O-])C[C@H](NC(=O)[C@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC12CC[NH2+]CC2)c1ccccc1,C39682360_decoy,GCR,Decoy,0,-10.4576,7.4,-4.31,-1.230112727884591
Cc1ccc(Cl)c(O[C@H](C)c2nnc(SCC(=O)Nc3sc(C(N)=O)c(C)c3C#N)n2C)c1,C39972547_decoy,GCR,Decoy,0,-6.52876,-5.76,-3.17,-4.278893912217431
CCc1sc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1C,C40160800_decoy,GCR,Decoy,0,-10.7931,-4.95,-1.87,-5.119826047386041
C[C@@]1(NC(=S)Nc2cccc(OC(=S)N[C@@]3(C)CCS(=O)(=O)C3)c2)CCS(=O)(=O)C1,C40166999_decoy,GCR,Decoy,0,-12.8855,-8.42,-0.91,-14.584290699245717
CCC[C@@H](C(=O)NCCN1CCOCC1)n1c(-c2ccc3c(c2)OCCCO3)cc(C(N)=O)c1C,C44144093_decoy,GCR,Decoy,0,-10.5616,-1.62,-2.31,-4.7343119497548045
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](CO)(C(=O)[O-])[NH2+][C@H]3c2ccc(/C=C/c3ccccc3)cc2)cc1,C33919804_decoy,GCR,Decoy,0,-7.67502,-2.97,-3.46,-3.4763337703870145
COCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O,C09354020_decoy,GCR,Decoy,0,-10.3122,-3.58,-2.72,-4.72950551981815
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3sccc3C(N)=O)nnc12,C17043699_decoy,GCR,Decoy,0,-7.3554,-8.95,-3.65,-5.990894260176864
CCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)s2)cnc1N1CC[NH2+]CC1,C65025207_decoy,GCR,Decoy,0,-11.9699,-3.24,-4.07,-5.156380803684176
NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1,C08815729_decoy,GCR,Decoy,0,-6.70862,-5.9,-3.42,-4.256790653450109
COc1ccc(NC(=O)NC(=O)COC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1,C08890391_decoy,GCR,Decoy,0,-10.7533,-7.23,-3.7,-7.173054121676694
COCCn1c(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(Br)cc23)cc(=O)[nH]c1=O,C01921163_decoy,GCR,Decoy,0,-10.2906,-7.59,-4.06,-7.438427547101586
CCCCn1c(N)c(N(CC)C(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c(=O)[nH]c1=O,C09493235_decoy,GCR,Decoy,0,-10.7418,-8.51,-3.52,-9.482742431669337
Nc1c(N(Cc2ccco2)C(=O)C[C@H]2OC(=O)c3ccccc32)c(=O)[nH]c(=O)n1Cc1ccccc1,C09814482_decoy,GCR,Decoy,0,-8.81658,-2.66,-3.15,-3.930815012642964
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1,C09884141_decoy,GCR,Decoy,0,-10.8849,-5.87,-1.72,-5.545370974360327
Cc1ccc(-c2nnc(SCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2C)cc1,C10264057_decoy,GCR,Decoy,0,-8.84867,-4.24,-2.71,-4.491607635866523
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(=O)[nH]c1=O,C10520205_decoy,GCR,Decoy,0,-11.8507,-8.47,-3.52,-14.497126099984456
COc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1OC,C10592711_decoy,GCR,Decoy,0,-11.1474,-8.75,-4.28,-8.818287372572312
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC)cc4O)[NH2+][C@@](CCSC)(C(=O)[O-])[C@@H]3C2=O)cc1,C08868152_decoy,GCR,Decoy,0,-5.56179,-2.64,-1.87,-2.4894808309786174
Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1,C12578439_decoy,GCR,Decoy,0,-11.2939,-2.98,-3.2,-4.357093123976207
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)C1=O,C09969088_decoy,GCR,Decoy,0,-11.7237,-4.33,-1.79,-6.401699539491146
COc1ncc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN(C(=O)CCC3CC[NH2+]CC3)C2)cc1Cl,C13803236_decoy,GCR,Decoy,0,-11.4616,-3.74,-1.91,-5.187702377097464
CN(C)S(=O)(=O)c1cc(NCc2cccc3c2OCO3)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1,C14751931_decoy,GCR,Decoy,0,-10.139,-7.08,-3.88,-6.305381621123059
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,C15752426_decoy,GCR,Decoy,0,-11.5852,-6.51,-4.24,-7.470448617768312
Cc1cccc(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1C,C16013852_decoy,GCR,Decoy,0,-9.21773,-3.24,-4.11,-4.392877820092513
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CCCN3C(=O)NC(C)(C)C3=O)cc2)n1,C16491947_decoy,GCR,Decoy,0,-11.0122,-10.55,-2.07,-15.56761673828083
C=CCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nnc1-c1sc(N)nc1C,C16755352_decoy,GCR,Decoy,0,-12.3964,-8.28,-1.53,-9.541603664159693
CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Br,C17273886_decoy,GCR,Decoy,0,-10.5929,-8.26,-4.01,-9.032207239130488
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc3c(cnn3CCO)c(=O)[nH]2)sc2c1CCCC2,C17297476_decoy,GCR,Decoy,0,-11.0097,-4.68,-3.34,-5.855678636323237
Cn1c(=O)c(C(=O)CSc2nnc(NCc3ccco3)s2)c(N)n(Cc2ccccc2)c1=O,C17983189_decoy,GCR,Decoy,0,-11.207,-9.83,-4.48,-12.098024351922655
Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccn(C)n3)n2C[C@@H]2CCCO2)cc1,C20613861_decoy,GCR,Decoy,0,-11.699,-8.74,-1.85,-9.504313437037007
CC(C)n1cc(/C=N/Nc2nc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)n[nH]2)cn1,C20911086_decoy,GCR,Decoy,0,-12.4429,-8.99,-1.75,-8.06483323834799
CCOc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cccc(N4CCCC4=O)c3)n[nH]2)cc1,C21077160_decoy,GCR,Decoy,0,-12.4846,-8.54,-2.28,-7.99448457494162
COCCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3Cl)n2)s1,C21077609_decoy,GCR,Decoy,0,-11.8804,-7.45,-2.57,-7.587144210111202
CCCCn1c(N)c(N(CC)C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(=O)[nH]c1=O,C21084379_decoy,GCR,Decoy,0,-5.17414,-4.1,-2.52,-3.372901309927512
CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)ccc1OCC(N)=O,C21523790_decoy,GCR,Decoy,0,-12.7013,-3.43,-1.79,-5.236012199182489
C[C@@H](OC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)NC(=O)NC1CCCC1,C21675229_decoy,GCR,Decoy,0,-10.9616,-7.04,-3.99,-7.261690595494213
COc1ccc(C2=NN(C(=O)COC(=O)C[C@H](NC(N)=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1,C21755494_decoy,GCR,Decoy,0,-7.90799,-6.62,-3.92,-4.701694976311382
Cc1ccc(C)c(N2N=C(C(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CCC2=O)c1,C22402248_decoy,GCR,Decoy,0,-10.4292,-3.04,-3.43,-4.823304768265886
CCN(C(=O)COC(=O)COc1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C24700804_decoy,GCR,Decoy,0,-8.54299,-5.92,-3.35,-5.019648292640047
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1,C12806756_decoy,GCR,Decoy,0,-11.6699,-5.42,-2.82,-6.013882330747974
CCCCN1C=N[C@@H]2[C@@H]1C(OCC(=O)Nc1sccc1C(N)=O)=NC(=O)N2Cc1ccccc1,C28616825_decoy,GCR,Decoy,0,-10.5787,-2.98,-3.02,-4.74060982266959
COc1cc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c(Br)c(OC)c1OC,C30954698_decoy,GCR,Decoy,0,-9.08345,-3.09,-3.54,-4.406371106854047
COC(=O)/C(=N\NC(C)(C)C)[C@H](C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccccc2[nH]c1=O,C17214728_decoy,GCR,Decoy,0,-7.09417,-5.11,-3.44,-4.494193515589698
CC(C)C(=O)Nc1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(CC(=O)N4CCN(C)CC4)CC3)c[nH]c2c1,C36359363_decoy,GCR,Decoy,0,-7.67049,-3.23,-3.56,-3.611226416277629
CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)Cc1nc(=O)c2ccccc2[nH]1,C36408700_decoy,GCR,Decoy,0,-9.26242,-3.28,-2.45,-4.518068912739996
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1,C10257094_decoy,GCR,Decoy,0,-11.8137,-2.97,-3.08,-4.967051187670171
CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)c(=O)n(C)c1=O,C10472524_decoy,GCR,Decoy,0,-9.34926,-8.78,-4.76,-8.161810639642084
Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2)C2(CC[NH2+]CC2)C1,C39682599_decoy,GCR,Decoy,0,-9.56268,-2.94,-0.78,-4.234681545575501
CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1,C39759221_decoy,GCR,Decoy,0,-11.5968,-4.33,-2.94,-5.450343188281988
CC(=O)NNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCCO2)cc1,C44453319_decoy,GCR,Decoy,0,-11.3732,-7.34,-1.98,-10.880689793802455
Cc1noc2nc(-c3ccco3)cc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c12,C45682496_decoy,GCR,Decoy,0,-12.5116,-3.89,-1.12,-5.772320095911627
COC(=O)c1cc(-c2csc(NC(=O)[C@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)n2)c[nH]1,C45852914_decoy,GCR,Decoy,0,-11.6252,-8.84,-2.85,-21.60355575606365
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12,C09695465_decoy,GCR,Decoy,0,-9.42971,-3.59,-2.18,-4.166433277291183
O=C(CSc1n[nH]c(N/N=C/c2ccncc2)n1)Nc1nnc(SCc2ccccc2)s1,C59311069_decoy,GCR,Decoy,0,-11.9748,-9.27,-4.05,-8.43850354099523
O=C(CNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-],C63350047_decoy,GCR,Decoy,0,-9.01402,-6.18,-3.37,-5.864723543883583
C[C@H](NC(=O)C1CCN(C(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-],C63362256_decoy,GCR,Decoy,0,-8.91923,-5.43,-2.48,-4.943074121916036
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-],C64198846_decoy,GCR,Decoy,0,-5.30224,-4.28,-3.26,-3.273814295995872
CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1,C67189975_decoy,GCR,Decoy,0,-11.1299,-5.88,-2.51,-12.206722272617254
O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1Cc1ccc2c(c1)OCO2,C01160530_decoy,GCR,Decoy,0,-10.1631,-9.42,-1.83,-7.707311623645536
Cc1ccc2nc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)sc2c1,C05180892_decoy,GCR,Decoy,0,-10.609,-3.55,-3.91,-4.074928053135784
Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4c(F)cccc4F)CC3)nc12,C05240064_decoy,GCR,Decoy,0,-10.1964,-4.04,-0.98,-4.083663631073944
CCSc1cccc(C(=O)N2CCN(c3nc4c(C)ccc(C)c4s3)CC2)c1,C05241273_decoy,GCR,Decoy,0,-9.42131,-3.9,-2.6,-4.165623237280055
CN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)SC1=S,C05525349_decoy,GCR,Decoy,0,-10.2549,-7.3,-2.46,-7.299380048400147
Brc1ccccc1-c1nnc(CSc2ccc3ccccc3n2)o1,C05627011_decoy,GCR,Decoy,0,-9.43271,-8.34,-1.1,-6.891989549912486
CC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)CCCC3,C05869481_decoy,GCR,Decoy,0,-8.67325,-3.6,-4.93,-3.822764436856549
O=C1CS(=O)(=O)[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1,C00763024_decoy,GCR,Decoy,0,-10.7345,-3.6,-2.8,-4.294913190285242
Cc1cc(C)cc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]2C=CS(=O)(=O)C2)c1,C05082493_decoy,GCR,Decoy,0,-6.30402,-3.84,-3.46,-2.77328535136613
Cc1cc(C(=O)Cn2cnc3ccc(Br)cc3c2=O)c(C)c(C)c1C,C07392337_decoy,GCR,Decoy,0,-10.3714,-3.85,-0.67,-4.323259166854108
Cc1sc2ncn(CC(=O)c3ccc(Cl)s3)c(=O)c2c1-c1ccccc1,C07537533_decoy,GCR,Decoy,0,-10.884,-2.28,-1.73,-2.756048466362692
N#CC(C#N)=c1s/c(=C\c2ccc(Cl)c(Cl)c2)c(=O)n1-c1ccccc1,C07554413_decoy,GCR,Decoy,0,-10.727,-9.21,-3.13,-7.798959483674837
Cc1ccc2nc(N3CCN(C(=O)c4cccc(SC(C)C)c4)CC3)sc2c1,C07597976_decoy,GCR,Decoy,0,-8.87153,14.97,-1.93,1.67696328786213
CN(C(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1)[C@@H]1CCS(=O)(=O)C1,C08327146_decoy,GCR,Decoy,0,-10.1772,-1.07,-0.59,-4.100325672027847
O=S1(=O)C[C@@H]2[C@@H](C1)N(c1ccc(Br)cc1)C(=S)N2c1ccccc1,C06144687_decoy,GCR,Decoy,0,-10.2374,-3.2,-0.67,-3.6831556523120654
CC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3,C08632578_decoy,GCR,Decoy,0,-10.4306,-3.24,-3.03,-4.154538918901336
O=C(c1ccc(Br)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1,C10786137_decoy,GCR,Decoy,0,-9.73772,-3.51,-2.74,-4.451172276542048
O=C(COc1ccc(Br)cc1Br)c1ccc2c(c1)OCO2,C11035541_decoy,GCR,Decoy,0,-9.10495,-8.28,-0.7,-8.824397920381731
O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccc(Br)cc3)cs2)C1,C02137352_decoy,GCR,Decoy,0,-10.4893,-3.47,-0.62,-3.797953477200971
Cc1nc2sc3c(c2c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1)CCCC3,C12775665_decoy,GCR,Decoy,0,-9.39469,-2.95,-2.04,-3.645101812895279
COCc1cc(C)nc2sc(C#N)c(/N=C/c3ccc(Br)cc3)c12,C06659359_decoy,GCR,Decoy,0,-10.2889,4.72,-1.24,-2.51038626004392
Cc1cccc(N2CCN(C(=O)c3cccnc3Sc3ccccc3)CC2)c1C,C15964211_decoy,GCR,Decoy,0,-8.18115,-9.91,-0.83,-15.441333121650484
CCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCN(C)C3,C20327588_decoy,GCR,Decoy,0,-12.0968,31.5,-2.65,6.570846763893233
CC(=O)OC1CCN(c2cc(C(F)(F)F)nc3cc(Cl)cc(Cl)c23)CC1,C20443926_decoy,GCR,Decoy,0,-10.0641,1.02,-3.61,-3.126160918700924
C[C@@H]1CCCCN1C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12,C23648770_decoy,GCR,Decoy,0,-10.3406,-4.24,-3.04,-4.6181052406535095
O=C(c1csc(-c2ccsc2)n1)N1CCN(Cc2cccc3ccccc23)CC1,C24097034_decoy,GCR,Decoy,0,-13.0664,-8.2,-2.58,-10.337928250376782
O=c1c2c3c(sc2nc(SCc2cccnc2)n1C1CCCC1)CCCC3,C27764410_decoy,GCR,Decoy,0,-10.9972,-4.85,-4.34,-5.126347496121067
O=S1(=O)C[C@@H]2N=C(SCc3ccc(Cl)c(Cl)c3)N(c3ccccc3)[C@@H]2C1,C32640788_decoy,GCR,Decoy,0,-10.2808,-6.99,-2.88,-8.384081889380157
C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@H]1c1cccn1C,C32841744_decoy,GCR,Decoy,0,-9.54024,-7.97,-6.3,-8.308354171853013
COC(=O)[C@@H]1CS[C@H](c2ccccc2Cl)N1C(=O)c1ccc2ccccc2c1,C35115975_decoy,GCR,Decoy,0,-9.68858,-2.59,-2.05,-4.076744577336511
CC(C)(C)OC(=O)Oc1cc(I)cnc1Br,C35270529_decoy,GCR,Decoy,0,-8.29704,-6.17,-1.05,-10.58211735339676
C[C@H]1C(=O)N(c2cccc3ccccc23)CCN1C(=O)c1ccc(Cl)c(Cl)c1,C37523254_decoy,GCR,Decoy,0,-9.88063,-3.1,-4.12,-3.847309106798389
O=C1N=C(CSc2ncccc2Cl)N=C2SCC(c3ccccc3Cl)=C12,C38803428_decoy,GCR,Decoy,0,-9.84323,-7.29,-2.79,-6.967436043563272
O=C1C(=O)N(CCOc2cc(Cl)ccc2Cl)c2ccc(Br)cc21,C39289209_decoy,GCR,Decoy,0,-9.86995,-8.12,-3.21,-8.702984574597082
Cc1ncsc1CCC(=O)N1CC[C@@H]2[C@H](N=C3C=CC=C[C@H]32)[C@@H]1C1CCCCC1,C39358170_decoy,GCR,Decoy,0,-11.5475,-2.83,-2.45,-4.660641182195278
Cc1ncsc1CCC(=O)N1CC[C@H]2[C@H](N=C3C=CC=C[C@@H]32)[C@@H]1C1CCCCC1,C39358171_decoy,GCR,Decoy,0,-10.507,-3.72,-2.22,-4.810156731314922
CC(C)(C#N)N(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C40692513_decoy,GCR,Decoy,0,-9.68979,-7.35,-1.52,-12.591295564806336
CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)CC1,C01377335_decoy,GCR,Decoy,0,-11.1793,-4.04,-4.28,-5.32606171277095
O=S(=O)(c1ccccc1C(F)(F)F)N1CCn2cccc2[C@@H]1c1cccs1,C36702267_decoy,GCR,Decoy,0,-8.56007,-3.89,-0.52,-4.04796169344191
CN(C[C@@H]1CCCCO1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C48555179_decoy,GCR,Decoy,0,-9.41054,-8.07,-3.05,-13.04960823439365
Cn1c(=O)n(C)c2cc([C@@H](Cl)c3ccc(Br)o3)c(Br)cc21,C51952301_decoy,GCR,Decoy,0,-9.47109,-6.72,-2.7,-7.508469157797975
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccc(Br)cc1)N1CCC[C@H]21,C43732504_decoy,GCR,Decoy,0,-10.1055,-4.33,0.13,-4.267140971298841
CC(C)Cn1c(S[C@@H]2CCCCC2=O)nc2ccc(Br)cc2c1=O,C24048452_decoy,GCR,Decoy,0,-9.33537,-5.22,-1.97,-4.831050546591035
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(OC(F)F)ccc1Cl,C12562164_decoy,GCR,Decoy,0,-10.3413,-9.25,-1.98,-7.65390467407737
O=C1CCCN1c1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1,C29280421_decoy,GCR,Decoy,0,-11.4972,4.71,-1.94,-3.0079201019678967
Brc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1,C59461341_decoy,GCR,Decoy,0,-10.3147,-3.4,-2.09,-4.5009660174208905
C[C@@H](Cl)C(=O)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1,C41357146_decoy,GCR,Decoy,0,-10.7759,-3.15,-0.61,-4.09441095573489
C[C@@H]1c2ccsc2CCN1CC1=NC(=O)[C@H]2SC(c3ccc(Cl)cc3)=CC2=N1,C39777855_decoy,GCR,Decoy,0,-12.2475,-3.88,-3.27,-4.686721058062893
O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccc(Cl)c(Cl)c1,C01217068_decoy,GCR,Decoy,0,-10.0056,-4.11,-2.37,-4.356710466869386
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1csc(-c2ccsc2)n1,C63277272_decoy,GCR,Decoy,0,-11.7949,-9.94,-0.5,-13.349181869523049
COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1OC,C03885044_decoy,GCR,Decoy,0,-6.13509,-3.68,-2.81,-3.2202778191819608
CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O,C02098084_decoy,GCR,Decoy,0,-10.2657,-3.81,-1.11,-4.483169995203199
Cc1ccc(C(=O)[C@H](c2ccc(C)cc2)n2nc(C(=O)[O-])c3ccccc3c2=O)cc1,C07784005_decoy,GCR,Decoy,0,-5.06751,-3.69,-4.91,-2.498776741417441
Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)n2nc(C(=O)[O-])c3ccccc3c2=O)cc1,C07784007_decoy,GCR,Decoy,0,-8.86067,-3.42,-1.87,-4.271796896003682
C#CCOc1ccc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1,C08227373_decoy,GCR,Decoy,0,-9.66408,-3.66,-2.31,-4.462723191828935
C=C(C)Cc1c(O[C@H](C)C(=O)[O-])ccc2c1c1ccnc3c4ccccc4c(=O)n2c13,C08764390_decoy,GCR,Decoy,0,-9.63769,-1.64,-1.26,-3.319092393266576
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S,C08884260_decoy,GCR,Decoy,0,-10.3953,-0.23,-4.98,-3.7867999304126014
O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)c(SCc3nc4ccccc4s3)nc2c1,C13016924_decoy,GCR,Decoy,0,-8.93719,-4.05,-5.85,-4.485798575558806
CC(C)Cn1c(SCc2cc(C#N)ccc2F)nc2cc(C(=O)[O-])ccc2c1=O,C13049637_decoy,GCR,Decoy,0,-9.38155,-9.25,-2.48,-8.616237472876536
O=C([O-])CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nc2cc(Cl)ccc2c1=O,C13177129_decoy,GCR,Decoy,0,-10.1678,-2.51,-4.31,-4.033897519470751
Cc1ccc(C)c(Sc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])c1,C13275594_decoy,GCR,Decoy,0,-7.12331,-6.25,-5.38,-7.897547956495825
Cc1cc(-c2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2CC(=O)[O-])c(C)s1,C13317126_decoy,GCR,Decoy,0,-8.3492,-2.77,-4.78,-3.4716371235495904
C[C@H](c1ccccc1)n1c(SCc2occc2C(=O)[O-])nc2ccccc2c1=O,C13394692_decoy,GCR,Decoy,0,-7.27591,-8.04,-2.98,-7.558820743014048
O=C([O-])c1oc2ccccc2c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1,C13412106_decoy,GCR,Decoy,0,-6.79411,-3.61,-3.97,-3.384215249413268
CC[C@@H](Oc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1)C(=O)[O-],C16907293_decoy,GCR,Decoy,0,-12.4616,-3.68,-1.08,-5.131967953613531
CC[C@H](Oc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1)C(=O)[O-],C16908439_decoy,GCR,Decoy,0,-11.3661,-9.09,-1.4,-11.993400717459508
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1,C08741058_decoy,GCR,Decoy,0,-10.2548,-3.46,-3.24,-4.516971797984865
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1,C00702610_decoy,GCR,Decoy,0,-6.08532,-3.41,-3.08,-3.1423289522409803
C#CCSc1nnc(CSc2nc([O-])c3ccccc3n2)n1-c1ccccc1,C02710647_decoy,GCR,Decoy,0,-10.4066,-3.09,-2.41,-4.413071435225818
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccs2)nc1C,C33700713_decoy,GCR,Decoy,0,-10.6448,-2.03,-3.83,-4.077663233393297
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CCCC[C@H]3C)N2[C@H]1c1ccsc1,C34923806_decoy,GCR,Decoy,0,-9.04047,-3.34,-4.0,-4.204532043653377
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)/C=C/c4ccccc4)[C@H]3c3cccnc3)sc2c1,C35421569_decoy,GCR,Decoy,0,-11.2848,-4.19,-4.37,-5.035810447949465
CSc1nnc(-c2ccccc2/N=C(\C(C)=O)c2c(C)cc(C)cc2C)c([O-])n1,C15015449_decoy,GCR,Decoy,0,-7.89759,-3.72,-2.08,-3.755584721952285
CC(C)OC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1,C20411802_decoy,GCR,Decoy,0,-9.00261,-9.25,-0.67,-8.717671911143585
CC[C@@H](C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2[O-])cc1,C36548422_decoy,GCR,Decoy,0,-11.376,-2.97,-5.03,-4.645979345822409
CC[C@H](C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2[O-])cc1,C36548424_decoy,GCR,Decoy,0,-7.04267,-3.06,-3.65,-2.876045028914082
CCc1nnc([S-])n1/N=C/c1ccc(COc2ccc(Br)cc2)o1,C36611445_decoy,GCR,Decoy,0,-10.7807,-8.08,-3.29,-7.3909148529498525
Cc1cccc([C@@H]2SCC(=O)N(CC(=O)[O-])c3c2c(C(C)(C)C)nn3-c2ccccc2C)c1,C37263935_decoy,GCR,Decoy,0,-7.58515,-4.69,-4.03,-4.052033463652279
O=C([O-])c1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@@H]5C4)cc3s2)cc1,C12629660_decoy,GCR,Decoy,0,-12.0564,-6.87,-0.74,-10.155150752086264
CCN(CC)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1,C35656853_decoy,GCR,Decoy,0,-9.72332,-3.58,-2.44,-4.710107998902309
COCCn1c([O-])c(C(=O)c2sc3cc(C)ccc3c2Cl)c(C)c(C#N)c1=O,C38620316_decoy,GCR,Decoy,0,-9.7829,-3.84,-0.79,-4.708879300077169
COCCn1c([O-])c(C(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c(C#N)c1=O,C38620318_decoy,GCR,Decoy,0,-10.1769,-4.35,-2.52,-4.995089684220022
COCCn1c([O-])c(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(C)c(C#N)c1=O,C38620322_decoy,GCR,Decoy,0,-11.0808,-3.54,-2.78,-4.68903360633939
CSc1nc(/N=C/C2=NC(=O)N(c3ccccc3)[C@H]2[O-])c(-c2ccccc2)s1,C39367292_decoy,GCR,Decoy,0,-9.60759,-5.28,-1.48,-4.793751187683714
CSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)s1,C39998138_decoy,GCR,Decoy,0,-12.1428,-5.91,-0.91,-6.925630082441496
CCCCn1c([O-])c(C(=O)c2oc3ccc(Br)cc3c2C)c(C)c(C#N)c1=O,C40522257_decoy,GCR,Decoy,0,-10.3675,-3.2,-4.47,-4.3538641239188784
CCC[C@](C)(Oc1c(Br)cc([N+](=O)[O-])cc1Br)C(=O)[O-],C41958933_decoy,GCR,Decoy,0,-7.73617,-6.94,-0.76,-10.649854006458488
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1,C13800135_decoy,GCR,Decoy,0,-6.17306,-4.95,-4.8,-3.396038625190468
CCCCN1CCc2cc(/C=C3\C(=O)N=C([O-])N(c4ccc(Cl)cc4)C3=O)ccc21,C09015838_decoy,GCR,Decoy,0,-10.9417,-1.76,-4.18,-5.038773750103345
CCc1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3Cc3ccc(C)cc3)C2=O)cc1,C02260400_decoy,GCR,Decoy,0,-8.89656,-4.44,-2.22,-4.633093193663212
C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])cc1Br,C59135761_decoy,GCR,Decoy,0,-10.7189,0.74,-2.9,-4.096823688925794
CCc1c([O-])nc(SCC(=O)N(C)c2ccccc2)n(-c2ccc(C)cc2)c1=O,C59203542_decoy,GCR,Decoy,0,-8.4103,-3.31,-2.86,-4.15655606885614
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc4ccccc4c3)cc2)n1,C59466950_decoy,GCR,Decoy,0,-10.2455,-4.2,-2.03,-4.852678306489821
CCCOc1ccccc1/C=C1\C(=O)N(c2cc(C)c(C)cc2Br)C(=O)N=C1[O-],C59860391_decoy,GCR,Decoy,0,-10.1063,-3.43,-3.67,-4.387467192799658
Cc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCCC(C)C)=NC(=O)[C@@H]32)o1,C39775853_decoy,GCR,Decoy,0,-6.4656,-2.85,-2.2,-2.592452753767424
O=C([O-])c1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)cc1,C15723450_decoy,GCR,Decoy,0,-11.4556,-2.81,-2.51,-4.231985313507539
CCc1ccc(-c2n[n-]c(S[C@@H](C)C3=NC(=O)C4=C(C)[C@H](C)SC4=N3)n2)cc1,C38722457_decoy,GCR,Decoy,0,-8.57279,-3.94,-2.08,-4.339074310049836
O=C1N=C([O-])N(Cc2ccc(F)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12,C08995588_decoy,GCR,Decoy,0,-10.5698,-3.89,-3.01,-4.873954202713364
CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2cccs2)cc1,C64558498_decoy,GCR,Decoy,0,-8.85259,-4.08,-3.11,-4.2911503872525865
CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cccc4nsnc34)cc2s1,C64747833_decoy,GCR,Decoy,0,-11.9752,-9.07,-2.49,-9.670200692963212
CCOCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1Cl,C08439831_decoy,GCR,Decoy,0,-6.92595,-2.76,-2.34,-2.9952278303865025
CCOCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(Cl)c1Cl,C08439834_decoy,GCR,Decoy,0,-7.67538,-3.53,-3.62,-3.425566412357406
Clc1ccccc1CSc1nncn1/N=C/c1ccccc1OCc1ccc(Br)cc1,C08790556_decoy,GCR,Decoy,0,-7.77599,-9.57,-1.63,-6.603904120200251
Cc1ccc(COc2ccc(/C=N/n3c(C)nnc3SCc3ccc(Br)cc3)cc2)cc1,C02611480_decoy,GCR,Decoy,0,-11.9616,-4.61,-3.0,-5.929573034242903
C#CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)cc1Br,C09261630_decoy,GCR,Decoy,0,-10.9384,-2.31,-2.66,-4.230309746702028
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOc1cc(C)cc(C)c1,C09425504_decoy,GCR,Decoy,0,-7.02601,-3.63,-2.96,-3.428148873302281
CCOCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Br,C09635757_decoy,GCR,Decoy,0,-9.17135,-2.73,-2.2,-4.22163511945035
CSc1cccc2sc(N(CCc3cccs3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12,C10097460_decoy,GCR,Decoy,0,-11.4725,-3.31,-3.54,-5.144938827781434
C=CCn1c(C)cc(C(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)c1C,C12531778_decoy,GCR,Decoy,0,-8.55093,-3.72,-4.83,-4.212947638095423
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1,C12614516_decoy,GCR,Decoy,0,-8.04014,-4.37,-3.93,-4.283484800468592
C=CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2cc(Br)ccc21,C12631322_decoy,GCR,Decoy,0,-10.2096,-6.04,-1.79,-6.713484513750725
C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc2sc3c(c2c1=O)CCCCC3,C03326044_decoy,GCR,Decoy,0,-8.97022,-3.98,-5.06,-4.344168884104901
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C,C16509132_decoy,GCR,Decoy,0,-11.0991,-3.67,-3.41,-5.127809057326595
COCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl)C(=O)c1cccs1,C16528584_decoy,GCR,Decoy,0,-11.974,-2.13,-3.44,-8.723346198122147
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C(=O)c1cccs1,C16528585_decoy,GCR,Decoy,0,-13.4844,-1.95,-3.6,-5.368402992405521
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)COc1ccc(Cl)cc1,C16529784_decoy,GCR,Decoy,0,-9.3244,-3.1,-3.36,-4.24916127743067
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)C(C)(C)CCl,C16569128_decoy,GCR,Decoy,0,-4.67483,-0.8,-4.9,-2.012655240337695
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C(=O)Cc1cccs1,C16570120_decoy,GCR,Decoy,0,-5.62492,-2.79,-3.57,-2.6048282223379227
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S,C16729722_decoy,GCR,Decoy,0,-7.83216,-7.48,-3.18,-5.445997626709763
Cc1c(Cl)ccc2sc(N(CCCN3CCOCC3)C(=O)CSc3ccc(Cl)cc3)nc12,C20590917_decoy,GCR,Decoy,0,-10.9468,-5.19,-4.33,-7.810608582042572
COCCn1c(SCc2ccc(F)c(F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc12,C25164820_decoy,GCR,Decoy,0,-12.7367,-4.55,-4.02,-5.762144677087813
C=CCn1c(C)cc(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1C,C03296013_decoy,GCR,Decoy,0,-11.33,-4.32,-3.93,-5.80921217539499
CCCCc1ccc(C(=O)N(CC)[C@H](C)c2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)cc1,C35059075_decoy,GCR,Decoy,0,-5.61409,-4.31,-3.36,-3.30585444344708
CC1CCN(C(=O)CCCCSc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)CC1,C35145139_decoy,GCR,Decoy,0,-6.18626,-4.29,-2.38,-3.5423957285810093
CCCCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)C2CC2)cc1,C35230411_decoy,GCR,Decoy,0,-5.39568,-4.42,-3.12,-3.218387465722081
O=C([C@@H]1C[C@H]1c1ccccc1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@H]1CCCO1,C35493957_decoy,GCR,Decoy,0,-11.3143,-3.59,-3.48,-5.228721452039197
CCCCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl)C[C@@H]1CCCO1,C35808711_decoy,GCR,Decoy,0,-12.2018,-3.41,-4.0,-5.437330203357549
CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1,C35933304_decoy,GCR,Decoy,0,-10.3527,-3.33,-1.94,-4.835287683043088
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1cccs1,C36115715_decoy,GCR,Decoy,0,-10.5137,-3.2,-2.79,-4.96708505606852
Cc1cc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc(F)cc2)C(C)C)ccc1Cl,C36116090_decoy,GCR,Decoy,0,-7.11734,-1.81,-3.19,-2.528853732277588
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(Cl)c(C)c2)C(C)C)cc1,C36116104_decoy,GCR,Decoy,0,-6.1737,-4.13,-3.83,-3.3251002621156034
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)c(C)c1)C(=O)c1cccs1,C36116123_decoy,GCR,Decoy,0,-8.32669,-4.05,-4.13,-4.601449482263744
Cc1cc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccccc2)C(C)(C)C)ccc1Cl,C36116239_decoy,GCR,Decoy,0,-4.28354,-3.88,-3.91,-2.379058791623205
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)C(C)C)cc1,C36116728_decoy,GCR,Decoy,0,-7.36727,-5.06,-3.46,-4.605972883978667
CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)cc1,C36116836_decoy,GCR,Decoy,0,-6.92807,-3.74,-5.88,-3.453520360473423
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)C2CC2)cc1,C36116854_decoy,GCR,Decoy,0,-6.59872,-3.05,-2.45,-3.340086608096319
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C1CC1,C36116868_decoy,GCR,Decoy,0,-9.72239,-2.31,-3.08,-4.1893145498145445
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C1CC1,C36116869_decoy,GCR,Decoy,0,-10.7612,-3.5,-3.74,-4.963193323403631
CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2cccs2)C(C)(C)C)cc1,C36116940_decoy,GCR,Decoy,0,-11.9458,-3.1,-3.15,-5.1609125115731
Cc1ccccc1C(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(C)(C)C,C36116959_decoy,GCR,Decoy,0,-5.43337,-2.92,-4.6,-2.6416538073372484
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(C)cc2C)CC2CC2)cc1,C36119217_decoy,GCR,Decoy,0,-7.25389,-2.44,-2.01,-3.053296571353693
Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)CC(c3ccccc3)c3ccccc3)nc12,C38837497_decoy,GCR,Decoy,0,-12.4246,-4.58,-2.55,-6.464989337009893
CCON1C[C@](C)(CC(C)C)N(CC2(C3CCCCC3)CCN(I)CC2)C1=O,C39487794_decoy,GCR,Decoy,0,-10.6693,-2.91,-2.14,-4.58808559469572
Cc1cc(Cl)cc2sc(N(CCCN3CCOCC3)C(=O)c3ccc(SC(C)C)cc3)nc12,C39712878_decoy,GCR,Decoy,0,-10.3126,-3.04,-3.76,-4.713578417986424
O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1Br,C40252721_decoy,GCR,Decoy,0,-11.0057,-7.53,-2.57,-8.411186982886138
O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccc(Br)cc1,C40256864_decoy,GCR,Decoy,0,-11.9107,-7.09,-1.55,-9.154646590710376
CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)C[C@H](C)CC(C)(C)C,C35230523_decoy,GCR,Decoy,0,-4.3836,-2.27,-3.7,-2.2833617668495703
CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)C[C@H](C)CC(C)(C)C,C35230525_decoy,GCR,Decoy,0,-8.30846,-3.29,-4.11,-4.025665666698759
O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccc3ccccc3c2)CN1c1ccc(Cl)cc1,C40513061_decoy,GCR,Decoy,0,-8.39389,-2.65,-2.35,-3.7280930007468656
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1,C59677545_decoy,GCR,Decoy,0,-12.7265,-2.82,-2.11,-4.499475747376046
O=C1[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)N1C1CCCCC1,C04156971_decoy,GCR,Decoy,0,-9.83905,-8.24,-0.06,-6.921306885066873
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCS[C@H]1c1ccncc1,C00690401_decoy,GCR,Decoy,0,-8.37403,-4.64,-0.48,-4.507875334166526
CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)SC1=S,C04681571_decoy,GCR,Decoy,0,-9.945,-3.72,-1.75,-3.3960259403282143
C[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)[C@H](C)CN1C(=O)C(Cl)(Cl)Cl,C01117221_decoy,GCR,Decoy,0,-9.25072,-2.62,-1.84,-4.035266559947436
C=CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)SC1=S,C01194559_decoy,GCR,Decoy,0,-10.3103,-2.07,-0.87,-4.1759037813276905
CCCN1C(=O)/C(=C2/SC(=S)N(C)C2=O)c2cc(Br)ccc21,C02508973_decoy,GCR,Decoy,0,-10.6942,-4.59,-0.44,-4.664668317403804
O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CCc2sccc2C1,C12740659_decoy,GCR,Decoy,0,-10.3969,-3.22,-0.95,-4.477822114317542
CC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)ccc3F)CC2)c(F)c1,C12516835_decoy,GCR,Decoy,0,-9.42744,-3.86,-4.39,-3.968398200688693
CC1=NCCN1S(=O)(=O)c1cc(Br)ccc1Br,C19943299_decoy,GCR,Decoy,0,-8.37778,-7.03,-1.82,-7.546423896859169
O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCc2ccccc2C1,C20867150_decoy,GCR,Decoy,0,-8.96535,-5.5,-1.77,-4.442433502772882
O=C(CBr)c1cc2cc(Br)cc(Br)c2oc1=O,C03098125_decoy,GCR,Decoy,0,-9.87257,-7.62,-0.66,-8.099055391402608
Cc1cc(Br)cc2c1N(CCBr)C(=O)C21OCCO1,C26464600_decoy,GCR,Decoy,0,-9.1442,-5.53,-0.64,-4.294021178780202
O=C1CCCN1CCc1nc(-c2ccc(I)cc2)cs1,C30447928_decoy,GCR,Decoy,0,-9.87385,-3.82,-1.19,-4.304629077897546
O=C1C(=O)N(CCCBr)c2c(Br)cc(Br)cc21,C35551649_decoy,GCR,Decoy,0,-9.66581,-3.04,-1.98,-3.8850968572023854
N#CC1(S(=O)(=O)c2cc(Br)ccc2Br)CCOCC1,C35676689_decoy,GCR,Decoy,0,-8.9791,-3.86,-2.3,-3.5603001527112688
CS(=O)(=O)/N=C1\C=C(Br)C(=O)C(Br)=C1Br,C35686182_decoy,GCR,Decoy,0,-9.25838,-5.32,-2.1,-6.049904196502919
COn1c(C)c(I)c2c1-c1nccc(F)c1C(=O)CC2,C39458715_decoy,GCR,Decoy,0,-8.59117,-4.31,-3.05,-3.505190434901247
CCOn1c(C)c(I)c2c1-c1nccc(Cl)c1C(=O)CC2,C39458874_decoy,GCR,Decoy,0,-9.47739,-2.36,-1.21,-3.41392630387564
COc1c2c(n(Br)c1C)-c1nccc(I)c1C(=O)CC2,C39459067_decoy,GCR,Decoy,0,-9.46703,-3.41,-3.08,-3.3393835684171966
CSn1c(C)c(F)c2c1-c1nccc(I)c1C(=O)CC2,C39459098_decoy,GCR,Decoy,0,-9.05507,-3.16,-1.15,-3.128808123537934
CSN1C[C@@H](S(=O)(=O)C(C)C)C[C@]12CC[C@H](I)C2,C39504713_decoy,GCR,Decoy,0,-9.21875,-1.66,-1.32,-3.2280791850153814
CC(C)S(=O)(=O)[C@@H]1CC[C@@]2(C[C@H](Br)CN2Br)C1,C39506840_decoy,GCR,Decoy,0,-8.94553,-6.0,-0.69,-7.118785940846951
CC(C)S(=O)(=O)[C@@H]1CC[C@]2(C[C@H](Cl)CN2I)C1,C39507362_decoy,GCR,Decoy,0,-8.79342,-5.86,-0.64,-7.123127947591294
CC(C)S(=O)(=O)[C@H]1CCCN(Br)[C@@]12CC[C@H](Br)C2,C39512861_decoy,GCR,Decoy,0,-9.01764,8.87,-2.48,-0.0456446663434525
CC(C)S(=O)(=O)[C@H]1CCCN(Br)[C@@]12CC[C@H](I)C2,C39512957_decoy,GCR,Decoy,0,-9.47065,-6.86,-0.82,-8.06081413742818
CC(C)S(=O)(=O)[C@@H]1CC[C@]2(C1)[C@H](I)CCCN2Br,C39520423_decoy,GCR,Decoy,0,-9.37533,-6.67,-0.23,-7.561421552519558
Brc1cc2c(cc1[C@@H](Br)c1ccncc1)OCCO2,C40285992_decoy,GCR,Decoy,0,-8.84417,-7.08,-0.63,-7.173248648579708
O=C(c1cccc(I)c1)N(C[C@H]1CCCO1)[C@@H]1CCSC1,C42373299_decoy,GCR,Decoy,0,-10.4268,-7.22,-2.43,-8.666070184914929
O=C(c1ccc(I)cc1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1,C42373306_decoy,GCR,Decoy,0,-10.3003,-3.2,-1.9,-4.427349923098018
O=C1/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC(=S)N1Cc1ccco1,C43080019_decoy,GCR,Decoy,0,-9.29821,-7.74,-0.81,-10.729342607799186
O=C1/C(=C/c2cc(Br)cs2)SC(=S)N1Cc1ccco1,C43080063_decoy,GCR,Decoy,0,-10.769,-6.49,-3.79,-4.022911435733868
O=S1(=O)CC[C@@H]([C@H](Br)c2cc(Br)c3c(c2)OCCO3)C1,C43302738_decoy,GCR,Decoy,0,-10.6966,-7.63,-1.58,-10.113063266480417
CN(Cc1csc(Br)c1)C(=O)c1cc(Br)cn1C1CC1,C44412243_decoy,GCR,Decoy,0,-9.56477,-7.54,-0.84,-10.582097788112906
BrC1=C[C@H]2[C@@H]([C@H]3C=C[C@]2(Br)[C@@H]3C2OCCO2)C12OCCO2,C44460388_decoy,GCR,Decoy,0,-10.1509,-7.65,-0.84,-7.245299809076799
C[C@@H](Cl)c1nc2cc(Br)ccc2n1[C@]1(C)CCS(=O)(=O)C1,C44931872_decoy,GCR,Decoy,0,-8.77528,-3.28,-0.41,-3.492696878381834
CC1CCN(C(=O)c2cc(Cl)c(C(=O)N3CCC(C)CC3)c(Cl)c2)CC1,C45919969_decoy,GCR,Decoy,0,-10.4096,2.91,-2.12,-2.777906788279177
Cc1ccccc1SCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1,C46644575_decoy,GCR,Decoy,0,-9.77693,-3.35,-3.66,-4.502780639076175
C[C@H]1c2cccn2CCN1C(=O)c1ccc(Cl)c(I)c1,C48465304_decoy,GCR,Decoy,0,-9.04561,-7.77,-0.72,-7.435392016992683
CN(Cc1cscn1)C(=O)c1cc(Br)ccc1I,C49036326_decoy,GCR,Decoy,0,-9.36936,-7.03,-0.86,-10.960609965957362
CN(Cc1cscn1)C(=O)c1ccc(I)c(Br)c1,C49047894_decoy,GCR,Decoy,0,-9.12811,-6.71,-0.62,-7.248228507129742
C[C@H]1CN(C(=O)c2cc(Br)ccc2I)[C@@H](C)CO1,C49141645_decoy,GCR,Decoy,0,-8.29003,-6.98,-0.71,-1.898591228597988
Cc1nc(CN(C)C(=O)c2ccc(Cl)c(I)c2)cs1,C49413315_decoy,GCR,Decoy,0,-8.96897,-7.02,-1.92,-11.74200306177164
N#Cc1ccccc1N1C(=O)/C(=C\c2ccc(Br)o2)SC1=S,C55190792_decoy,GCR,Decoy,0,-10.3776,-8.36,-0.6,-11.685803698398288
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1CN1CCOCC1,C59382219_decoy,GCR,Decoy,0,-10.4017,-4.04,-0.54,-4.326794227869406
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc(I)c1)[C@H]1C=C[C@@H]2CC1,C59502755_decoy,GCR,Decoy,0,-9.02932,-5.25,-0.92,-4.696061960272785
O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(I)cc1)[C@H]1C=C[C@@H]2CC1,C59502757_decoy,GCR,Decoy,0,-9.73854,-3.99,-1.41,-4.25803084015803
O=C(c1cc(Br)cc(Br)c1Cl)N1CCOCC1,C41127309_decoy,GCR,Decoy,0,-9.0183,-7.01,-3.69,-6.559503759127998
CN(C)C(=O)[C@H]1CCCN(C(=O)/C=C/c2cc(Br)ccc2F)C1,C63689142_decoy,GCR,Decoy,0,-9.27294,-3.85,-1.1,-4.0232949930685775
Cc1nc(C(=O)N2CCN(Cc3ccc(Br)s3)CC2)cs1,C66308446_decoy,GCR,Decoy,0,-10.8919,-8.12,-4.67,-10.785262223819254
CCCC(=O)N1CSC[C@@H]1C(=O)N1CCc2c(Br)cccc2C1,C66645589_decoy,GCR,Decoy,0,-9.84277,-8.77,-0.81,-12.206867806538952
O=C(Nc1ccc(Br)cc1)c1noc2c1CCCC2,C00426346_decoy,GCR,Decoy,0,-8.36821,-7.41,-0.71,-7.769239337182465
O=C1NC2(CCCCC2)C(=O)N1Cc1c(F)cccc1Cl,C03505453_decoy,GCR,Decoy,0,-7.38739,-8.14,-0.69,-6.422842166748215
O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S1,C00975824_decoy,GCR,Decoy,0,-9.41731,-8.19,-4.61,-6.951348377767902
C[C@@H]1CCCC[C@]12NC(=O)N(Cc1c(F)cccc1Cl)C2=O,C04515320_decoy,GCR,Decoy,0,-8.44123,-4.7,-1.6,-3.848387083871806
C[C@H]1CCCC[C@@]12NC(=O)N(Cc1c(F)cccc1Cl)C2=O,C04515329_decoy,GCR,Decoy,0,-8.43671,-9.24,-2.17,-8.089559417436709
CC(C)(C)C(=O)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F,C00305628_decoy,GCR,Decoy,0,-6.45962,-8.4,-0.62,-7.279980409850666
C[C@H]1SC2=NNC(c3c(Cl)cccc3Cl)=CN2C1=O,C01050595_decoy,GCR,Decoy,0,-9.46156,-7.65,-2.72,-9.152009431338143
O=C(c1cc2ccccc2o1)N1CCc2c([nH]c3ccccc23)C1,C00997039_decoy,GCR,Decoy,0,-8.02351,-4.37,-1.41,-3.4148481906995736
[H]/N=C1/[C@@H](C#N)C2=CCCC[C@H]2[C@H](c2ccc(C)s2)C1(C#N)C#N,C00296645_decoy,GCR,Decoy,0,-9.33021,-3.85,-1.02,-3.470434673567974
CC(C)NC(=O)c1ccc2nc(N3CCCCC3)sc2c1,C06806227_decoy,GCR,Decoy,0,-9.19198,-8.54,-0.71,-7.832308306263046
O=C(Nc1onc2c1CCCC2)c1ccccc1Br,C08976544_decoy,GCR,Decoy,0,-8.43771,-3.94,-0.54,-3.6721129679000577
Cc1ccc2c(c1)Cc1c(nc(-c3ccccn3)[nH]c1=S)O2,C15830914_decoy,GCR,Decoy,0,-9.70191,-8.6,-1.31,-11.298553634195752
C[C@@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1,C16093982_decoy,GCR,Decoy,0,-8.41931,-7.27,-1.21,-7.364294924870331
O=c1cc(-c2c(O)ccc3ccccc23)nc2n1CCCCC2,C16769085_decoy,GCR,Decoy,0,-8.8099,-5.96,-3.75,-4.006480334697108
CCc1c(C)sc2nc(S)n(-c3cccc(O)c3)c(=O)c12,C17054684_decoy,GCR,Decoy,0,-9.44898,-8.74,-1.68,-10.678859771317548
Cc1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CC#N)c2c1,C19725610_decoy,GCR,Decoy,0,-8.26783,-4.23,-0.14,-3.3842908082015777
O=C(Nc1cc(Cl)cc2cccnc12)c1ccnc(Cl)c1,C23184513_decoy,GCR,Decoy,0,-8.97274,-4.12,-0.73,-3.677344052729898
O=C(Nc1ccc(Cl)c2ncccc12)c1ccc(Cl)nc1,C26071386_decoy,GCR,Decoy,0,-8.94502,-8.84,-1.2,-13.182041908073518
Cc1c(C(=O)Nc2cccc3ccccc23)oc2c1C(=O)CCC2,C27816571_decoy,GCR,Decoy,0,-8.91421,-6.79,-1.45,-5.410077104024891
Cn1ncc2c1CCC[C@H]2Nc1c(Cl)ccc2scnc12,C36923514_decoy,GCR,Decoy,0,-9.98343,-7.26,-1.46,-9.445498433443936
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1cc2c(n1)CCCCC2,C05148782_decoy,GCR,Decoy,0,-8.44433,-8.36,-1.95,-7.304540804127433
N#C[C@@H](NC1CCCC1)c1cc(Cl)c2c(c1)OCCCO2,C37968542_decoy,GCR,Decoy,0,-9.1536,-4.49,-0.1,-4.170437493354235
C[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1ccnc(Cl)c1,C38008397_decoy,GCR,Decoy,0,-8.79643,-7.48,-1.8,-7.738527076042877
C/C(=C1/SC(=O)N(c2cccc(C)c2)C1=O)c1ccc(O)cc1,C39857088_decoy,GCR,Decoy,0,-8.83598,-10.05,-1.57,-8.065094134468628
O=C(NC1CCCC1)c1ccc2nc3c(nc2c1)[C@@H]1CC[C@H]3C1,C39867667_decoy,GCR,Decoy,0,-9.31722,-6.72,-0.65,-7.067852678634289
Cc1c/c(=N\C(=O)c2cccnc2)c2ccc(Cl)c(C)c2[nH]1,C40359540_decoy,GCR,Decoy,0,-9.13257,-3.82,-3.49,-3.704230603979276
Cn1c(C(=O)Nc2ccccc2Br)cc2occc21,C40799985_decoy,GCR,Decoy,0,-7.38671,-7.89,-0.62,-10.820556900834896
Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cc2ccccc2s1,C40979358_decoy,GCR,Decoy,0,-8.87886,-6.07,-0.77,-3.63419161243892
C[C@@H]1Cc2ccccc2N1C(=O)/C(C#N)=C/c1ccc(O)cc1,C41691095_decoy,GCR,Decoy,0,-7.98581,-3.7,-1.0,-3.596095720453264
Brc1cccnc1Nc1ccc2c(c1)OCCO2,C42376158_decoy,GCR,Decoy,0,-7.91612,-7.09,-0.54,-5.597621343851154
CN(C)c1cccc(-c2nc3ncc(Br)cc3[nH]2)c1,C43461013_decoy,GCR,Decoy,0,-8.18892,-2.53,-0.59,-3.1422119278356058
COc1cc(Br)cc(C)c1NC(=O)N1CCCC1,C49200806_decoy,GCR,Decoy,0,-7.6982,-7.04,-1.83,-9.374389842857685
Cc1ccc(Cl)cc1NC(=O)c1cc2c3c(c1)CC(=O)N3CCC2,C49659436_decoy,GCR,Decoy,0,-9.20482,-9.39,-1.23,-12.87103421306586
O=C1NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Cl)=CN12,C02050159_decoy,GCR,Decoy,0,-5.667,-5.84,-0.53,-5.310107132997024
CNc1ccc(Cl)c(C(=O)N2CCc3sccc3[C@@H]2C)n1,C50774830_decoy,GCR,Decoy,0,-8.80013,-8.26,-1.92,-9.668517192156392
Fc1cc(Br)ccc1Nc1cnnc(Cl)n1,C51039342_decoy,GCR,Decoy,0,-7.47895,-6.25,-0.58,-5.922838291513002
Cc1ccc2nc(S[C@H](C)C(=O)N3CCCCC3)[nH]c2c1,C12546397_decoy,GCR,Decoy,0,-7.99161,-7.04,-3.57,-7.962629352790736
O=C1c2ccc(Br)cc2C(=O)N1C1(CO)CCCC1,C53072689_decoy,GCR,Decoy,0,-7.89796,-2.87,-0.09,-3.307983955055796
Cc1ccc(-c2nc3ccc(Br)cc3c(=O)[nH]2)o1,C53850839_decoy,GCR,Decoy,0,-8.01715,-5.27,-0.88,-3.545450630160442
CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1,C05283364_decoy,GCR,Decoy,0,-9.32292,-3.45,-1.86,-3.658098872610024
CON(C)C(=O)c1[nH]c2ccc(Br)cc2c1Cl,C57306736_decoy,GCR,Decoy,0,-8.15512,-7.3,-0.57,-7.121265175570249
Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](O)C4)c23)cc1C,C51148158_decoy,GCR,Decoy,0,-9.89012,-3.13,-1.81,-3.734479354350576
Cc1cccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1,C36635468_decoy,GCR,Decoy,0,-8.33761,-3.86,-0.92,-3.876109229429109
OC1=Nc2c(ncn2-c2cc(F)ccc2F)[C@@H](c2ccccc2)C1,C40288408_decoy,GCR,Decoy,0,-9.127,-4.52,-4.07,-3.887771047965936
O=C(Nc1cccc2cnccc12)N1CCC[C@@H](C(F)(F)F)C1,C58424288_decoy,GCR,Decoy,0,-7.7175,-2.85,-2.27,-3.48183171541474
Cc1ccc(F)c([C@@H]2CC(=O)NCc3nc4ccc(C)cn4c32)c1,C65528542_decoy,GCR,Decoy,0,-9.05565,-5.97,-0.44,-3.815883659509526
Cc1ccc(N(C)C(=O)c2[nH]nc(C)c2Br)c(C)c1,C65797685_decoy,GCR,Decoy,0,-7.37727,-8.02,-0.29,-7.736013672237832
O=C1CSc2ccc(C(=O)Oc3cccc(F)c3)cc2N1,C15574709_decoy,GCR,Decoy,0,-8.68478,-8.62,-0.51,-7.987836384544497
Cc1ccc(-c2csc3nc(-c4ccncc4)[nH]c(=O)c23)s1,C55490922_decoy,GCR,Decoy,0,-9.39689,-9.14,-5.5,-6.935590252599098
C[C@H](NC(=O)N1CCc2cc(Br)ccc21)[C@@H]1CCCO1,C66984772_decoy,GCR,Decoy,0,-8.49499,-8.04,-1.75,-9.3088358837894
CCc1ccc([C@H]2CN3C(=O)CN([C@H](C)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1,C04084145_decoy,GCR,Decoy,0,-6.5727,-3.57,-2.06,-3.109147040631504
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-c2nc3ccccc3s2)s1,C08324299_decoy,GCR,Decoy,0,-11.4712,-7.03,-3.91,-6.448084963411236
O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c3c(cccc13)CC2,C08439645_decoy,GCR,Decoy,0,-11.1458,-4.14,-2.21,-5.092228477322842
Cn1c(SCC(=O)Nc2cccc3ccccc23)nc2sc3c(c2c1=O)CCCC3,C00869094_decoy,GCR,Decoy,0,-10.4183,-5.67,-3.62,-5.319962954958954
Cc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C)c(-c4ccc(F)cc4)c3c2=O)cc1,C01980479_decoy,GCR,Decoy,0,-10.0237,-3.32,-3.97,-4.351508193504083
Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1Cl,C08904341_decoy,GCR,Decoy,0,-10.9026,1.51,-2.93,-4.362348515777678
O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1cccc2ccccc12,C09414588_decoy,GCR,Decoy,0,-9.36742,-3.59,-2.21,-3.9945998306635855
Cc1sc2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n(C)c(=O)c2c1C,C02337148_decoy,GCR,Decoy,0,-10.599,-6.14,-4.26,-5.433441097045296
O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Br)cc1,C09456064_decoy,GCR,Decoy,0,-10.2714,-4.61,-1.85,-5.536363551787552
Cc1cccn2c(=O)c3cc(C(=O)NC(c4ccccc4)c4ccccc4)sc3nc12,C02722958_decoy,GCR,Decoy,0,-5.85669,-4.98,-1.99,-3.1107875875752544
O=C1CCCC2=C1[C@@H](c1cccs1)n1nc(SCc3ccc(Cl)cc3)nc1N2,C09608546_decoy,GCR,Decoy,0,-10.6917,-3.97,-1.27,-4.590830515682466
Cc1cc(C)c(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3)n2)cc1C,C10132302_decoy,GCR,Decoy,0,-10.7773,-8.62,-1.52,-8.707651706777623
O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1,C10812160_decoy,GCR,Decoy,0,-8.94588,-3.75,-0.33,-4.379375626641471
O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1,C12466587_decoy,GCR,Decoy,0,-9.69634,-5.55,-1.79,-5.375883026983803
O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccc(-c3cccs3)nn2)CC1,C15734826_decoy,GCR,Decoy,0,-9.73695,21.77,-3.72,4.887915572079163
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)c1,C16291039_decoy,GCR,Decoy,0,-9.98387,-4.55,-4.03,-4.745832949054377
Fc1cccc(F)c1-c1cn[nH]c1[C@H]1CCCN(Cc2ccc3nsnc3c2)C1,C14983724_decoy,GCR,Decoy,0,-10.8253,-9.47,-0.72,-14.658736452224373
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(Br)cc1F,C20580511_decoy,GCR,Decoy,0,-10.5046,-4.15,-2.87,-4.684039720869093
CSc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1,C20903060_decoy,GCR,Decoy,0,-7.11044,-4.4,-2.41,-3.896015041028975
Cc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)c(Cl)c3)N(C)C2=O)c(C)c1,C27790061_decoy,GCR,Decoy,0,-8.55084,-4.68,-2.96,-4.313600477798523
O=C1NC(=O)/C(=C/c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)S1,C33568615_decoy,GCR,Decoy,0,-11.5336,-5.31,-2.41,-5.089448885026816
Cc1ccc(NC(=O)CN2CCN(C(=O)c3sc4cccc(F)c4c3C)CC2)cc1,C12754141_decoy,GCR,Decoy,0,-9.6657,-7.12,-3.3,-7.709817143995669
O=C(NCc1ccco1)[C@@H]1Cc2ccccc2N2CCN(c3ccc(Cl)cc3)C[C@@H]12,C35543339_decoy,GCR,Decoy,0,-8.9881,-4.33,-1.13,-4.468541757315547
O=C(NCc1ccco1)[C@H]1Cc2ccccc2N2CCN(c3ccccc3Cl)C[C@@H]12,C35869834_decoy,GCR,Decoy,0,-9.99423,-6.3,-4.04,-5.377693584009621
Cc1cccc(-n2ccnc2SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1C,C22518713_decoy,GCR,Decoy,0,-10.4643,-3.69,-8.25,-4.238329253988366
O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1,C18043342_decoy,GCR,Decoy,0,-10.0749,-9.33,-0.57,-10.971475332694247
CCN1C(=O)[C@@]2(c3ccccc31)[C@@H](C(=O)Nc1cccc(SC)c1)C[C@H]1CSCN12,C37009726_decoy,GCR,Decoy,0,-11.3834,-3.48,-2.31,-4.7782442256425615
O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12,C15933726_decoy,GCR,Decoy,0,-9.7748,-2.19,-1.85,-4.01480961015068
CSc1ccc2nc(N3CCN(C(=O)NCc4cccs4)CC3)sc2c1,C36709391_decoy,GCR,Decoy,0,-11.208,-5.94,-12.98,-12.922886125161828
O=C(Nc1cccc(N2CCCS2(=O)=O)c1)C1(c2ccc(Cl)cc2)CCCC1,C38694960_decoy,GCR,Decoy,0,-11.2308,-4.59,-2.75,-5.0061950034006735
Cc1cc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)c(C)cc1Cl,C38718443_decoy,GCR,Decoy,0,-11.0367,-4.71,-1.12,-6.28150631035449
Cc1cc(Cl)ccc1NC(=O)CSC1=NC(=O)C2=C3CC[C@H](C)C[C@@H]3SC2=N1,C38747247_decoy,GCR,Decoy,0,-12.3863,-9.08,-1.97,-11.493254510188002
O=C(N/N=C/c1cccc(Br)c1)[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)N=N1,C39016789_decoy,GCR,Decoy,0,-11.8067,-8.69,-2.59,-7.929816029610242
O=S(=O)(Oc1ccccc1)[C@@H]1CC[C@]2(C[C@H](c3ccccc3O)CN2Cl)C1,C39505962_decoy,GCR,Decoy,0,-10.3071,-8.78,-0.76,-8.066253697126433
Cc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c(Br)c1,C39561752_decoy,GCR,Decoy,0,-10.2749,-3.52,-2.62,-4.743037200978198
C/C(=N\NC(=O)[C@@H]1C=C(c2ccc(Br)cc2)N=N1)c1ccc2ccccc2c1,C39573950_decoy,GCR,Decoy,0,-11.5786,-7.42,-1.13,-7.253145629806447
CNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(Br)cc1,C39843849_decoy,GCR,Decoy,0,-8.94658,-4.24,-2.29,-4.296872565615893
O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1cc2ccccc2oc1=O,C39916825_decoy,GCR,Decoy,0,-9.4796,-3.89,-1.77,-4.29366072519406
O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2Cl)N1C[C@H]1CCCO1,C40338207_decoy,GCR,Decoy,0,-10.6215,8.72,-2.23,-0.6524132208126446
O=C(N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1cncc(Br)c1,C44950401_decoy,GCR,Decoy,0,-9.65622,-9.4,-2.64,-7.838408744055879
O=C(NCc1cccs1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1,C49443149_decoy,GCR,Decoy,0,-10.9389,-8.98,-2.32,-10.87992126638204
Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(Cl)cc3C)C(=O)N2C)cc1C,C08306695_decoy,GCR,Decoy,0,-9.67032,-3.62,-1.92,-4.410592490181061
O=C(N/N=C\C(Br)=C\c1ccccc1)[C@H]1COc2cc3ccccc3cc2O1,C57476877_decoy,GCR,Decoy,0,-10.2485,-5.66,-0.89,-4.994564003350929
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccncc3)c2C)c1,C20243931_decoy,GCR,Decoy,0,-9.92966,-8.44,-2.0,-13.09784647164356
Cc1ccc(C)c(N2C[C@@H](C(=O)N/N=C/c3c(Cl)cccc3Cl)CC2=O)c1,C01421503_decoy,GCR,Decoy,0,-9.5028,-4.15,-2.64,-4.254034626744036
O=c1cc2nc(-c3ccccc3F)nc(SCc3ccc(Br)cc3)n2[nH]1,C08603090_decoy,GCR,Decoy,0,-10.0327,-8.61,,99.0
O=C(N/N=C/[C@@H]1C=NN=C1c1ccc(Br)cc1)c1ccc2ccccc2c1,C63773050_decoy,GCR,Decoy,0,-10.7025,-6.4,-0.94,-6.352361275540835
Oc1cccc([C@H]2C3=Nc4ccccc4[C@H]3CCN2C[C@H]2C=NN=C2c2ccccc2)c1,C39515501_decoy,GCR,Decoy,0,-7.22605,-4.91,-1.24,-3.9782082146568607
CCN1c2ccc(C(=O)Nc3ccccc3SC)cc2-c2ccccc2S1(=O)=O,C65315074_decoy,GCR,Decoy,0,-11.5697,-7.21,-4.65,-10.77187957043085
CCC(=O)N1CCN(c2ccc(/N=C/c3cc(Br)ccc3O)cc2)CC1,C67321405_decoy,GCR,Decoy,0,-10.44,-3.86,-1.84,-6.609830209943927
C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2)s1,C04174485_decoy,GCR,Decoy,0,-10.312,-9.61,-3.08,-13.520732678984697
O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl,C04767484_decoy,GCR,Decoy,0,-10.4399,-8.49,-0.85,-9.604798221569142
O=c1c(/N=C/Nc2cccc(Cl)c2)cn(-c2ccccc2)nc1-c1ccccc1,C05259566_decoy,GCR,Decoy,0,-7.54481,-4.53,-4.99,-3.353199717154542
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1nc2ccccc2s1,C00987462_decoy,GCR,Decoy,0,-10.3936,-5.42,-1.65,-4.731329068942282
Cc1sc2nc([C@H](C)OC(=O)/C=C/c3ccccc3Cl)[nH]c(=O)c2c1C,C05360111_decoy,GCR,Decoy,0,-9.57091,-4.95,-2.31,-4.772438751605516
CCOc1cccc(-c2n[nH]c(=S)n2/N=C/c2c(Cl)cccc2Cl)c1,C05900762_decoy,GCR,Decoy,0,-8.28909,-4.7,-3.34,-4.246845888197252
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1c[nH]c2ccccc12,C03445068_decoy,GCR,Decoy,0,-8.11838,-8.86,-2.29,-8.067126578027208
CCc1ccccc1S(=O)(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1,C05084060_decoy,GCR,Decoy,0,-10.5063,-8.52,-3.03,-12.966301681240743
CCc1nnc(SCC(=O)Nc2ccc(C)c(F)c2)c2cc3sccc3n12,C06893888_decoy,GCR,Decoy,0,-11.4882,-8.63,-4.01,-8.715170286254976
Cc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccc(C(C)C)cc2)N(C)C1=O,C08306730_decoy,GCR,Decoy,0,-9.04548,-4.32,-3.13,-4.676674796750499
Cc1ccc(-c2ccc(/C=N\N=C3\NC(=O)[C@H](Cc4cccc(C)c4)S3)o2)cc1,C04719569_decoy,GCR,Decoy,0,-8.51234,-9.42,-2.07,-7.201140007215918
C[C@H]1Sc2ccc(C(=O)OCc3csc(-c4ccccc4)n3)cc2NC1=O,C08713598_decoy,GCR,Decoy,0,-11.4817,-9.99,-0.61,-8.640834617189475
CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(Br)cc2)o1,C09346865_decoy,GCR,Decoy,0,-9.4054,-2.96,-2.94,-4.303226161299348
O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1cccc(Cl)c1Cl,C09646643_decoy,GCR,Decoy,0,-10.1136,-8.35,-2.23,-8.567785504987564
C=CCSc1nc2c(c(=O)n1-c1ccccc1)CC1=C(C[C@](C)(CC)OC1)N2,C12650113_decoy,GCR,Decoy,0,-9.38351,-3.22,-2.27,-4.248687606656519
Cc1ccc([C@H](O)[C@H](c2cccn2-c2ccccc2)n2nnc3ccccc32)cc1,C05798872_decoy,GCR,Decoy,0,-8.94788,-6.04,-3.52,-4.841726045019384
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC(F)(F)F)cc1,C12538662_decoy,GCR,Decoy,0,-9.68064,11.86,-3.6,0.9975577170654378
CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCc4ccccn4)c23)CO1,C13228258_decoy,GCR,Decoy,0,-10.6022,-5.83,-2.83,-5.449780086847222
O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2,C13695016_decoy,GCR,Decoy,0,-9.40367,1.98,-2.05,-2.855159273059878
CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1Nc1ccc(Cc2ccncc2)cc1,C15671933_decoy,GCR,Decoy,0,-10.534,-3.52,-5.28,-4.416951678658232
Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1,C17010599_decoy,GCR,Decoy,0,-6.363,-10.78,-5.53,-5.599740888399253
CSc1cccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1,C20580584_decoy,GCR,Decoy,0,-9.9808,-8.54,-2.12,-11.059752530894936
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1,C20905922_decoy,GCR,Decoy,0,-9.71186,-9.32,-1.95,-9.071685730558912
Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc2ccccc12,C21034275_decoy,GCR,Decoy,0,-10.7954,-10.49,-3.28,-12.653133992626932
Cc1ccc([C@H](NC(=O)c2ccc(-c3nc(C)no3)cc2)c2cccs2)cc1,C23008918_decoy,GCR,Decoy,0,-11.084,-1.17,-1.83,-5.148129718630407
Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n(C2CCCCC2)c1C,C24932817_decoy,GCR,Decoy,0,-10.5924,-3.65,-2.03,-4.632052425802901
O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN(c2nc3ccccc3s2)C1,C32932067_decoy,GCR,Decoy,0,-9.46865,-3.74,-2.35,-4.176632451575717
Cc1ccc([C@H](C)NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)c(C)c1,C33313005_decoy,GCR,Decoy,0,-10.9003,-5.46,-2.16,-5.583600626520983
C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C(=O)/C=C/c1ccccc1)C1CCCCC1,C35007540_decoy,GCR,Decoy,0,-8.121,-10.26,-2.02,-8.596335492278813
C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N1c2ccccc2C[C@H]1C,C28680253_decoy,GCR,Decoy,0,-9.65164,-5.42,-1.73,-5.564204570676378
CCO[C@H]1CCC[C@]2(CCC[C@H](c3ccccc3O)C2)N1S(=O)(=O)C(C)C,C39527932_decoy,GCR,Decoy,0,-9.16814,-0.96,-3.19,-3.0809608093391083
Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3F)n2C)cc1C,C39773318_decoy,GCR,Decoy,0,-8.80715,-4.77,-1.15,-4.6507867962179
CC(C)c1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2Cc2ccco2)cc1,C40336833_decoy,GCR,Decoy,0,-9.76333,-5.28,-4.13,-4.905045133153744
Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nncn2-c2ccc(C)c(Cl)c2)c1,C07189105_decoy,GCR,Decoy,0,-9.08273,-6.89,-3.15,-6.480960719009243
Cc1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c1,C07910471_decoy,GCR,Decoy,0,-9.91141,-2.95,-1.36,-5.3362200890980365
COc1cc(Nc2ccnc3cc(Br)ccc23)cc(OC)c1OC,C54202340_decoy,GCR,Decoy,0,-9.40294,-7.51,-0.63,-8.421422195592845
COc1ccc(Br)cc1N[C@@H](C)c1nnc(-c2ccc(C)cc2)o1,C55156983_decoy,GCR,Decoy,0,-9.44294,-7.4,-1.6,-7.917134391470658
CCCCN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21,C03572282_decoy,GCR,Decoy,0,-9.15318,-0.79,-2.45,-4.789654815376975
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)C1CC1,C06684261_decoy,GCR,Decoy,0,-10.3594,-8.99,-1.8,-11.181024047592036
COC(=O)C1(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)CCCCC1,C58392136_decoy,GCR,Decoy,0,-10.6886,13.24,-2.57,0.9780895639441208
O=C(Nc1ccc(Cl)cn1)c1ccc(SCc2cn3ccccc3n2)cc1,C58581649_decoy,GCR,Decoy,0,-9.61376,-7.59,-1.11,-7.1388805972958
O=C(CSc1nnc(-c2ccccc2F)o1)Nc1cc(Cl)ccc1Cl,C07192858_decoy,GCR,Decoy,0,-11.1701,-7.49,-1.24,-7.670793778996383
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1F,C59964267_decoy,GCR,Decoy,0,-7.46445,-4.33,-1.0,-3.95495149368364
O=C(Nc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F,C60139539_decoy,GCR,Decoy,0,-8.79597,-7.54,-4.23,-7.761898260720698
C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccccc1F,C65031569_decoy,GCR,Decoy,0,-9.41338,-3.63,-4.43,-4.557505210236368
Cc1cccc(NC(=O)CSc2cc(N3C[C@H](C)C[C@H](C)C3)ncn2)c1C,C65133198_decoy,GCR,Decoy,0,-10.5536,-5.7,-1.29,-5.378559229337769
Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)Cc4cccs4)C3)n2)c1,C65147997_decoy,GCR,Decoy,0,-11.3958,-8.69,-1.11,-8.880848395499784
O=C(Cc1ccc(F)cc1)Nc1ccsc1-c1nc(-c2ccc(F)cc2)no1,C65219037_decoy,GCR,Decoy,0,-8.41104,-3.0,-2.07,-3.563693138666963
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@@H]1c1cccs1,C67646889_decoy,GCR,Decoy,0,-9.06946,-2.78,-15.97,-4.038213963374097
O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@H]1c1cccs1,C67646890_decoy,GCR,Decoy,0,-9.18604,-3.59,-2.3,-4.36616484377832
Cc1nc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(Br)s1,C02710614_decoy,GCR,Decoy,0,-9.19819,-7.35,-0.68,-7.56810435498167
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCCCCC3)c2C)c(C)c1,C02140163_decoy,GCR,Decoy,0,-9.90869,-5.0,-2.92,-5.40020811583091
Cc1sc2nc([C@H](C)OC(=O)c3ccc(Br)o3)[nH]c(=O)c2c1C,C04485759_decoy,GCR,Decoy,0,-10.3788,-6.75,-1.8,-8.049610384764463
O=C(Cc1ccsc1)Nc1ccc(-c2cn3c4c(nnc3n2)CCCC4)cc1,C04944038_decoy,GCR,Decoy,0,-10.3632,-4.0,-10.94,-4.468543361692483
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2ccccc2[nH]1,C05068479_decoy,GCR,Decoy,0,-10.074,-4.93,-5.18,-4.909950027670556
Cc1ccc(C(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(N(C)C)cc2)cc1,C03258353_decoy,GCR,Decoy,0,-8.27583,-3.6,-5.12,-3.764874336956336
C[C@H]1[C@@H](NC(=O)Cn2nnc(-c3ccccc3Br)n2)CCC[C@@H]1C,C06636679_decoy,GCR,Decoy,0,-9.37461,-6.98,-2.25,-7.414914964999246
COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)sc2c1,C08265710_decoy,GCR,Decoy,0,-10.0388,-3.86,-0.9,-4.279691772001242
COC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)CCC2)[C@H]1c1ccc(C(C)C)cc1,C10339262_decoy,GCR,Decoy,0,-10.0585,-3.22,-2.97,-4.2106618170795285
CC(C)NC(=O)c1cccc2c1CCCN2C(=O)c1ccc(-n2cccn2)cc1,C11112361_decoy,GCR,Decoy,0,-9.3954,-4.05,-1.31,-4.548444446144245
O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nc(-c2cccnc2)n[nH]1,C12115775_decoy,GCR,Decoy,0,-9.77457,-6.37,-1.36,-8.196156079996989
Cn1c(=O)oc2cc(S(=O)(=O)NC3(c4ccc(Cl)cc4)CCC3)ccc21,C12361854_decoy,GCR,Decoy,0,-9.43223,-8.89,-2.61,-11.137632347735437
Cc1ccc(Cl)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1Cl,C12771309_decoy,GCR,Decoy,0,-10.4836,-8.16,-4.91,-9.223146787951457
CS(=O)(=O)N1CCCc2cc(C3=NN=C(NC4CCCC4)SC3)ccc21,C15452942_decoy,GCR,Decoy,0,-11.2187,-2.72,-1.35,-4.420426509523575
Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)[NH+]3CCN(C)CC3)c([O-])n2n1,C20216008_decoy,GCR,Decoy,0,-8.03743,-6.01,-0.77,-4.718114350994131
Cc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2,C20256243_decoy,GCR,Decoy,0,-10.2862,-4.33,-3.61,-5.038826884647264
O=C(c1ccc2[nH]nnc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C21866776_decoy,GCR,Decoy,0,-10.7224,-4.0,-0.85,-6.608264101335194
CCN1CC[NH+]([C@@H](c2ccc(Cl)cc2)c2sc3nc(C)nn3c2[O-])CC1,C22458829_decoy,GCR,Decoy,0,-7.68425,-3.52,-4.22,-3.380259190916214
O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NC[C@H]1COc2ccccc2O1,C23244318_decoy,GCR,Decoy,0,-10.4494,-3.24,-1.7,-4.203145146677676
C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CC(=O)N(C)Cc1ccc(Cl)s1)C2=O,C24380139_decoy,GCR,Decoy,0,-9.9572,-3.55,-4.62,-4.117261434750386
C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1cccc2ncccc12,C31695202_decoy,GCR,Decoy,0,-8.09287,-4.3,-1.39,-3.9430267127592247
COc1cc(OC)c2cc(C(=O)N3CCc4sccc4[C@H]3C)[nH]c2c1OC,C32727025_decoy,GCR,Decoy,0,-9.85504,-8.42,-2.84,-9.13627590583981
O=C(NC1CC1)[C@H]1CCCN(c2nccn3nc(-c4cccc(Cl)c4)cc23)C1,C33266392_decoy,GCR,Decoy,0,-9.35425,-6.42,-4.82,-6.051384378675686
Cc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1,C21261949_decoy,GCR,Decoy,0,-9.77859,-2.75,-2.96,-4.119021277240063
CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc4c(c3)CC(=O)N4)nnc12,C05060073_decoy,GCR,Decoy,0,-9.47126,-9.31,-3.13,-9.252339527855364
Cc1cc(C)n(-c2ccccc2NC(=O)N2CCN(Cc3cccs3)CC2)n1,C40104890_decoy,GCR,Decoy,0,-9.82527,-2.64,-10.63,-3.850448605392968
Cc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)N(C)C4CCCCC4)c3C2)cc1,C40426793_decoy,GCR,Decoy,0,-9.24591,-1.75,-4.59,-4.564589372755921
CC1(C)Oc2ccc(Cl)cc2N(CCC(=O)Nc2ccccc2C#N)C1=O,C41303121_decoy,GCR,Decoy,0,-9.20741,-6.56,-1.14,-7.782555204976141
Cc1cc(F)ccc1NC(=O)[C@H](C)n1ncc(-c2ccc(Cl)cc2)nc1=O,C44804144_decoy,GCR,Decoy,0,-8.26965,-4.24,-2.02,-4.287754078891266
CC[C@H](C(=O)Nc1cccc(C)c1C)n1cnc2c(sc3ncccc32)c1=O,C45895733_decoy,GCR,Decoy,0,-10.7934,-5.46,-2.92,-5.170943834467094
O=C(COc1ccc(Cl)c2cccnc12)N1CCN(c2ccccc2O)CC1,C46028670_decoy,GCR,Decoy,0,-9.95899,-4.96,-2.87,-6.594307520029339
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1,C46690994_decoy,GCR,Decoy,0,-6.89849,-5.36,-0.81,-4.533473362452829
C[C@@H](NC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1)[C@@H]1CCCO1,C46972576_decoy,GCR,Decoy,0,-8.58377,-1.45,-0.56,-3.173584152981224
C[C@]1(c2c(F)cccc2F)NC(=O)N(Cc2csc(-c3ccco3)n2)C1=O,C47355912_decoy,GCR,Decoy,0,-9.64558,-4.25,-1.1,-4.506493056691942
CCn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(I)c1,C48816309_decoy,GCR,Decoy,0,-7.97535,-7.1,-0.57,-7.255995785858734
CC(=O)N1CCN(CC(=O)/N=c2\[nH]cc(Cc3ccc(C)c(F)c3)s2)CC1,C51153722_decoy,GCR,Decoy,0,-10.3637,-4.71,-3.61,-5.204417798652444
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Oc1ccc2c(c1)CCC(=O)N2,C51655154_decoy,GCR,Decoy,0,-10.1674,-9.38,-3.41,-8.402918814401005
[H]/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(C(F)(F)F)c1,C14903997_decoy,GCR,Decoy,0,-8.78397,-6.42,-1.36,-4.923887173112852
Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(OC(C)C)cc3)CC2)s1,C56619504_decoy,GCR,Decoy,0,-8.73209,9.48,-1.77,0.283191609935545
CC(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(C)n3)C(=O)c3ccccc32)cc1,C13207159_decoy,GCR,Decoy,0,-10.2727,-5.88,-2.59,-5.175377105608225
C[C@@H](C(=O)NC1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1,C58282564_decoy,GCR,Decoy,0,-9.86446,-8.36,-1.46,-7.6473329112724
CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3Cc4ccccc4O3)CC2)c(F)c1,C28404619_decoy,GCR,Decoy,0,-10.4114,-8.03,-3.45,-6.877975387884312
C#CCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C1CCCCC1,C60163656_decoy,GCR,Decoy,0,-9.81141,-3.46,-0.84,-4.375281157618775
COc1cc(Br)c(S(=O)(=O)/N=c2\[nH]cc(C)s2)cc1OC,C61031944_decoy,GCR,Decoy,0,-8.76044,-7.7,-3.26,-8.092756873679702
CCc1ccc(C)c(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1,C62321113_decoy,GCR,Decoy,0,-9.65986,-4.34,-3.11,-4.386774813460343
COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c23)cc1,C64459700_decoy,GCR,Decoy,0,-9.41645,-2.63,-3.82,-3.882628016653076
Cc1cc(Cl)ccc1S(=O)(=O)/N=c1/[nH]c(CN2CCOCC2)cs1,C66248752_decoy,GCR,Decoy,0,-9.34756,-4.06,-2.69,-4.349506749514353
CC(C)c1nc2ccc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@@H]4C3)cc2s1,C66283878_decoy,GCR,Decoy,0,-10.2503,-6.38,-0.72,-7.233740121182835
Cc1ccccc1[C@H](C#N)NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1,C66401839_decoy,GCR,Decoy,0,-7.84052,-4.48,-1.31,-4.24384700671261
C[C@H](Nc1nc(-c2ccncc2)nc2c1CCC2)C(=O)N1CCc2ccccc21,C66812152_decoy,GCR,Decoy,0,-9.39338,-4.39,-3.97,-4.377852917577896
Cc1cc(C)n2nc(S[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)nc2n1,C04313231_decoy,GCR,Decoy,0,-10.3946,-8.54,-3.52,-7.589354120312983
C=C1C[C@](Cn2ccc(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O,C05600875_decoy,GCR,Decoy,0,-8.94031,-3.53,-2.32,-3.6979528575618095
O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CCCC1,C02694993_decoy,GCR,Decoy,0,-10.6576,15.66,-2.74,1.6811312239850165
N#C/C(=C\c1cc(Br)c2c(c1)OCO2)C(=O)NC[C@@H]1CCCO1,C07159917_decoy,GCR,Decoy,0,-9.76728,-5.74,-1.3,-6.792216083687983
Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2,C07051441_decoy,GCR,Decoy,0,-10.1105,-5.38,-1.27,-5.474781480931029
O=c1[nH]c(CSc2nc3ccccc3c(=O)n2C2CC2)nc2ccccc12,C07319804_decoy,GCR,Decoy,0,-8.018,-8.6,-2.3,-7.355509042200389
O=C(CSc1nnc2n1CCCCC2)Nc1nc2ccc(F)cc2s1,C06098026_decoy,GCR,Decoy,0,-9.31405,-4.26,-1.55,-4.294558043262375
CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1,C09096393_decoy,GCR,Decoy,0,-8.63509,-2.49,-3.02,-3.566875641497306
CC(=O)c1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1,C12821292_decoy,GCR,Decoy,0,-10.2364,-3.71,-7.15,-4.574006638944167
Cc1cc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Br)c2C)no1,C02777851_decoy,GCR,Decoy,0,-7.15807,-7.17,-3.56,-7.4579056438391715
O=C(CCn1cnc2sccc2c1=O)Nc1nc2c(s1)CCCCC2,C12830172_decoy,GCR,Decoy,0,-10.3609,-2.78,-3.95,-4.067870159873782
CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4cnc[nH]4)C3)C2=O)cc1,C15075450_decoy,GCR,Decoy,0,-10.005,-4.48,-1.75,-4.979309697276079
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3nnc(C(C)(C)C)s3)CC2=O)c1,C15464757_decoy,GCR,Decoy,0,-10.1285,-5.26,-1.49,-6.137418765914523
COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NC1CCC(C)CC1)n2C,C15681776_decoy,GCR,Decoy,0,-9.88312,-5.47,-5.58,-5.1286511311589225
O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1)N1CCCCC1,C16121568_decoy,GCR,Decoy,0,-9.58389,-4.19,-2.12,-4.516532933398478
Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(N3CCN(CCO)CC3)nc2C1,C12653536_decoy,GCR,Decoy,0,-10.9816,-2.57,-6.08,-4.014271288511804
Cc1nc(NCc2ccc(-n3ccnc3)nc2)c2c3c(sc2n1)CCCC3,C22136124_decoy,GCR,Decoy,0,-9.60821,-3.61,-2.66,-4.183175576090011
Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C24928113_decoy,GCR,Decoy,0,-8.57683,-4.71,-0.64,-4.717562880613473
Cc1cc(S(=O)(=O)N(C)C)cc(/N=C/c2cc3ccccc3[nH]c2=O)c1C,C27066094_decoy,GCR,Decoy,0,-8.47668,-4.22,-2.58,-4.082316305719082
C[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccc2c(c1)OCCCO2,C31773365_decoy,GCR,Decoy,0,-9.00095,-4.96,-1.62,-4.384998500346116
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H](C)C1)C2=O,C36892232_decoy,GCR,Decoy,0,-9.308,-3.34,-1.81,-4.025140248731796
CCc1cc2c(cc3c(=O)n(CC(=O)NC4CCC(C)CC4)ncn32)s1,C06749546_decoy,GCR,Decoy,0,-9.21315,-2.84,-1.7,-3.970464611399739
O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cnc2ccccn2c1=O,C40040427_decoy,GCR,Decoy,0,-9.81596,-5.93,-1.18,-5.198652023056735
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1,C40621540_decoy,GCR,Decoy,0,-9.62103,-7.8,-3.3,-8.325473543573832
COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c2ncccc2c1,C44449321_decoy,GCR,Decoy,0,-8.73758,-3.44,-1.44,-4.141037563688729
O=C(NCc1cccc2ccccc12)N1CCN(S(=O)(=O)C2CC2)CC1,C44456850_decoy,GCR,Decoy,0,-8.99815,-4.79,-1.41,-4.619472690835113
Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)s1,C45678614_decoy,GCR,Decoy,0,-10.3434,-3.11,,99.0
Cc1cc2occ(CC(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)c2cc1C,C30998498_decoy,GCR,Decoy,0,-9.31805,-7.43,-9.64,-6.452890001945081
CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1,C03060416_decoy,GCR,Decoy,0,-10.9065,-3.94,-4.27,-4.677137860170944
Cc1c([O-])nc(-c2ccc(C[NH+]3CCN(C)C(=O)C3)cc2)nc1C(F)(F)F,C48087910_decoy,GCR,Decoy,0,-8.69003,-5.35,-0.71,-4.361051637190551
O=C(Nc1ccc(C(F)(F)F)cc1)c1nn2c(C(F)(F)F)nnc2s1,C49660836_decoy,GCR,Decoy,0,-6.78795,12.73,-0.66,2.966668387625413
Cc1ccccc1-n1cnn(CN2CCN(c3ccccc3O)CC2)c1=S,C12517612_decoy,GCR,Decoy,0,-10.2984,-4.37,-3.88,-4.329796955337919
CC(=O)Nc1cccc2c1CCN([C@H](C)c1nnc(-c3ccc(C)cc3)o1)C2,C54390643_decoy,GCR,Decoy,0,-9.26867,-10.65,-0.58,-20.667405595156627
Cc1sc2nc([C@H](C)N(C)Cc3ccc4c(c3)OCCO4)[nH]c(=O)c2c1C,C18941842_decoy,GCR,Decoy,0,-9.16071,-6.06,-4.36,-4.82390865054507
[H]/N=C1C(=C\c2ccc(O[C@@H](C)c3ccccc3)cc2)\C(=O)N=C2C=C(C)ON2\1,C05013412_decoy,GCR,Decoy,0,-8.5138,-9.62,-2.38,-7.652115994028706
CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Br)o2)CC1,C58162525_decoy,GCR,Decoy,0,-9.20761,-1.78,-0.74,-3.9117452861818274
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(C(=O)c2ccco2)CC1,C58271702_decoy,GCR,Decoy,0,-9.02803,-7.04,-1.55,-7.855054522491042
CC[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O,C16462302_decoy,GCR,Decoy,0,-8.08089,-4.73,-0.99,-4.386908816419115
C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)c1ccc2c(c1)NC(=O)CO2,C49908403_decoy,GCR,Decoy,0,-10.0088,-9.34,-0.53,-8.314406174954705
O=C(Cc1coc2cc3c(cc12)CCC3)NC1CCN(c2ncccn2)CC1,C46610288_decoy,GCR,Decoy,0,-9.14325,-4.09,-3.6,-4.05419526255283
COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCC3)cc2c1OCCO2,C60666670_decoy,GCR,Decoy,0,-10.193,-3.79,-1.83,-4.692378482862709
O=C(Nc1ccccc1N1CCOCC1)[C@H]1CC(=O)N(C2CCCCC2)C1,C62145777_decoy,GCR,Decoy,0,-10.0124,-10.06,-1.59,-12.444472513320884
O=C1[C@@H]2N=NC(c3ccccc3O)=C2[C@@H](c2ccccc2)N1C[C@@H]1CCCO1,C06752747_decoy,GCR,Decoy,0,-9.27999,-4.43,-2.28,-4.326683917417999
CSc1ccc(NC(=O)N2CC[C@@H](Cc3nc4cccnc4n3C)C2)cc1,C65292567_decoy,GCR,Decoy,0,-10.2311,-2.21,-2.5,-3.7539920876579584
CN(C)c1ccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1F,C65851802_decoy,GCR,Decoy,0,-9.37497,-3.99,-0.97,-4.4316392972296885
C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3cc(Cl)ccn3)CC2)C1,C66420498_decoy,GCR,Decoy,0,-10.2865,-4.52,-4.39,-4.598654388693249
Cc1ccc(/C=C(/C#N)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1,C66734346_decoy,GCR,Decoy,0,-8.04822,-1.95,-3.27,-3.1332494583365307
Cc1cnc(-c2cccc(NC(=O)[C@H]3CSCN3C(=O)C(C)(C)C)c2)o1,C66808931_decoy,GCR,Decoy,0,-9.83541,-9.34,-1.41,-14.593105714923722
N#Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCCO3)cc1Cl,C66938130_decoy,GCR,Decoy,0,-10.7111,-8.55,-3.52,-9.781607610243398
O=C1NCCCC[C@@H]1Oc1ccc(Oc2ncc(Br)cn2)cc1,C67371521_decoy,GCR,Decoy,0,-9.47579,-8.36,-0.96,-13.868638794481251
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Cl)cn1,C03015124_decoy,GCR,Decoy,0,-10.2177,-4.43,-2.03,-4.9064486368414855
COc1ccc(N2C[C@@H](NC(=O)N3c4ccccc4C[C@H]3C)CC2=O)cc1,C04373541_decoy,GCR,Decoy,0,-9.41446,-3.87,-2.42,-4.293059497526898
Cc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2,C02299674_decoy,GCR,Decoy,0,-9.50648,-2.26,-1.34,-3.61521301751015
CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(Br)cc1O,C01134038_decoy,GCR,Decoy,0,-9.43163,-3.91,-0.68,-4.420282775695872
Cc1nn([C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n12,C05108659_decoy,GCR,Decoy,0,-9.93013,-3.34,-4.65,-4.057865385740026
Cc1nn([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n12,C05108666_decoy,GCR,Decoy,0,-9.33817,-3.83,-1.24,-3.9270473713047456
COC(=O)N1CCc2c(sc(NC(=O)c3cc(C)ccc3C)c2C#N)C1,C05255610_decoy,GCR,Decoy,0,-9.97635,-3.52,-3.88,-4.508768851685139
N#Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1,C06226656_decoy,GCR,Decoy,0,-9.17019,-8.27,-0.58,-8.636130378082397
Cc1sc2nc(SCc3nc4ccccc4c(=O)[nH]3)n(C)c(=O)c2c1C,C07738402_decoy,GCR,Decoy,0,-9.70494,-4.36,-1.54,-4.622694066344113
CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1Nc1ccc2c(c1)OCCO2,C09228954_decoy,GCR,Decoy,0,-9.34593,-10.09,-0.33,-8.60940532508821
O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(Cl)c2ncccc12,C12741554_decoy,GCR,Decoy,0,-9.15151,-9.51,-1.85,-9.06029631665358
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O,C04915915_decoy,GCR,Decoy,0,-8.94437,-4.95,-0.57,-4.667392807977682
Cc1cc(C)cc(NC(=O)CN2C=NS(=O)(=O)c3ccc(C)cc32)c1,C15826877_decoy,GCR,Decoy,0,-8.17578,-4.22,-1.63,-4.085613561502814
CC1(C)CC(=O)c2cc(C#N)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2C1,C17242878_decoy,GCR,Decoy,0,-9.81309,-4.39,-4.29,-4.42365510436172
O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1ccc(F)c(F)c1,C18948139_decoy,GCR,Decoy,0,-8.8536,-6.27,-1.31,-5.14423002430369
Cc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)cc1,C20991653_decoy,GCR,Decoy,0,-6.84341,-4.09,-4.01,-3.596183027310512
Cc1sc2ncnc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2c1C,C28162205_decoy,GCR,Decoy,0,-11.1293,-3.04,-3.33,-3.99131725305994
O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2nsnc2c1,C30948392_decoy,GCR,Decoy,0,-10.1364,-9.05,-1.01,-9.401400697294765
CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)N3CCNC(=O)C3)c2c1,C32104038_decoy,GCR,Decoy,0,-8.33391,-3.93,-2.6,-3.822520399915778
Cc1cc(C)n2nc(C(=O)NC(C)(C)c3ccc(Br)cc3)nc2n1,C32398938_decoy,GCR,Decoy,0,-9.58542,-4.87,-0.74,-4.476539025947648
Cc1ccccc1NC(=O)[C@H]1CCCN(c2ncnc3oc(C)c(C)c23)C1,C32959956_decoy,GCR,Decoy,0,-9.67349,-6.34,,99.0
Cc1ccccc1NC(=O)[C@H](C)n1cnc2nc3c(cc2c1=O)CCCC3,C33267598_decoy,GCR,Decoy,0,-8.83981,-3.98,-2.2,-4.097264636894679
Cc1ccccc1NC(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccco1,C34924309_decoy,GCR,Decoy,0,-9.40735,-2.81,-3.11,-4.034965833353008
N#Cc1ccsc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O,C36879664_decoy,GCR,Decoy,0,-9.84087,-10.16,-2.15,-9.499543637859324
CC1=NN(C(=O)[C@H]2C=C(c3ccc(Cl)c(Cl)c3)N=N2)[C@](O)(C(F)F)C1,C39237856_decoy,GCR,Decoy,0,-8.22551,-3.82,-0.79,-3.907535736601634
C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc(Cl)s2)C1=O,C39565518_decoy,GCR,Decoy,0,-9.3132,-5.36,-0.77,-4.632612567463744
COc1ccc(/C=C(\C#N)C2=NC(=O)C3=C4CCCC[C@@H]4SC3=N2)cc1O,C39672673_decoy,GCR,Decoy,0,-11.5568,-1.55,-2.64,-3.816462375912032
O=C(Nn1c(-c2cccs2)nc2cc(Cl)ccc2c1=O)c1cccnc1,C40011899_decoy,GCR,Decoy,0,-9.42083,-3.97,-3.06,-4.514675118092123
COc1ccc(C(=O)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1,C43350166_decoy,GCR,Decoy,0,-7.43666,-2.84,-4.1,-4.545062195518601
CC1CCC(C(=O)N2CCC(n3cc(C4(O)CCCC4)nn3)CC2)CC1,C48130391_decoy,GCR,Decoy,0,-10.5188,-4.08,-3.56,-7.170156963248445
Cc1ccc2nc(C3CCN(S(=O)(=O)N4CCC[C@@H](C)C4)CC3)[nH]c2c1,C19715977_decoy,GCR,Decoy,0,-10.7224,-5.13,-0.74,-4.702745515063262
O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1nc2ccccc2s1,C57520068_decoy,GCR,Decoy,0,-8.49523,-4.65,-1.11,-4.389678289413318
CCOC(=O)N1CCN(C(=O)Nc2ccc(Br)cc2C)CC1,C33869857_decoy,GCR,Decoy,0,-8.62539,9.23,-1.12,0.2990654061857315
COc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccc(Br)cc32)cc1,C07058583_decoy,GCR,Decoy,0,-8.98745,-3.35,-2.23,-3.82460153044596
O=C(N[C@@H]1CCCN(c2ncccn2)C1)N1CCC[C@@H]1c1cccs1,C47102742_decoy,GCR,Decoy,0,-9.17144,-3.44,-1.65,-4.2575111578354345
O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1,C59417968_decoy,GCR,Decoy,0,-9.69154,-9.51,-1.09,-7.680430550638751
Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(Cl)c4cccnc34)C2=O)o1,C60346270_decoy,GCR,Decoy,0,-8.56974,-8.01,-1.74,-7.341582375271745
O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1nc2c(s1)C(=O)CCC2,C60362029_decoy,GCR,Decoy,0,-10.4493,-5.8,-1.71,-5.662571695610628
O=c1[nH]c(CCn2nnc3ccccc32)nc2ccc(Br)cc12,C63925843_decoy,GCR,Decoy,0,-8.96153,-6.35,-1.58,-4.889719294600417
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc2c(s1)CCCCC2,C22375325_decoy,GCR,Decoy,0,-9.78815,-5.68,-1.2,-5.261122052700642
O=C1C[C@@H](Nc2ccc3oc(=O)ccc3c2)C(=O)N1c1cccc(Cl)c1,C40827401_decoy,GCR,Decoy,0,-8.94199,-5.12,-0.43,-5.4210751045651095
Cc1cc(C(=O)NC2CCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)no1,C65505035_decoy,GCR,Decoy,0,-9.45546,-5.48,-1.06,-5.055910179477968
CCc1[nH]/c(=N/S(=O)(=O)[C@@H]2CS(=O)(=O)c3ccccc32)sc1C,C66254081_decoy,GCR,Decoy,0,-9.45185,-8.3,-1.09,-8.858619784450884
COC(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1,C66363129_decoy,GCR,Decoy,0,-9.36571,-3.49,-1.08,-4.660634369964665
O=C(Nc1cc(Br)ccc1Cl)c1ccccc1-n1cnnn1,C66428987_decoy,GCR,Decoy,0,-8.64456,-8.31,-1.27,-8.422587995883147
O=C1NC2(CCCC2)C(=O)N1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1,C66793957_decoy,GCR,Decoy,0,-9.53047,-4.0,-1.05,-4.098021868703659
Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4cn5ccsc5n4)C3)[nH]c2c1,C67158744_decoy,GCR,Decoy,0,-8.84282,-3.67,-4.54,-4.045718497682437
Cc1ccsc1-c1cccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)c1,C67354497_decoy,GCR,Decoy,0,-10.3839,-3.27,-2.3,-4.16643902642987
C[C@@H]1CN(C(=O)Nc2ccccc2-n2cccn2)C[C@@H](c2ccccc2)O1,C67566958_decoy,GCR,Decoy,0,-8.38717,-2.71,-0.71,-3.3662421869775168
Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1,C67622183_decoy,GCR,Decoy,0,-9.31321,-2.34,-4.55,-3.8270084798941406
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C,C04293077_decoy,GCR,Decoy,0,-6.17375,-2.33,-2.13,-2.5861356682292427
CN(C)c1ccc(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1,C01688761_decoy,GCR,Decoy,0,-5.89187,-2.28,-3.94,-2.943110360183128
O=S(=O)(c1ccc(Cl)cc1)n1ncc(Sc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1,C02142959_decoy,GCR,Decoy,0,-9.93001,-3.56,-0.87,-4.357625212676345
O=C(COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc2ccccc2c1,C01854846_decoy,GCR,Decoy,0,-7.76629,-6.43,-2.88,-5.0238897799439375
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1,C02288364_decoy,GCR,Decoy,0,-6.83847,-4.07,-1.49,-3.523862046475547
Cc1ccc(-c2nc3ccc(Br)cc3c(C(=O)OCC(=O)c3ccc(Cl)cc3)c2C)cc1,C02581542_decoy,GCR,Decoy,0,-11.1287,-2.28,-3.59,-4.3068284268943176
Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(Br)cc23)cc1,C02577093_decoy,GCR,Decoy,0,-5.56506,-2.25,-5.35,-2.3894433078024955
C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O,C08950461_decoy,GCR,Decoy,0,-9.57713,23.88,-3.82,5.023969620746238
Cc1ccc(C(=O)N(c2ccc3oc4c(c3c2)CCCC4)S(=O)(=O)c2ccc3ccccc3c2)cc1,C09030619_decoy,GCR,Decoy,0,-10.0852,-2.93,-4.83,-4.154544231979295
O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1,C11075713_decoy,GCR,Decoy,0,-12.846,-3.26,-2.37,-5.352907061450123
N#CC1(C#N)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](C(=O)C(F)(F)F)N2c3ccc(Cl)cc3C=C[C@@H]21,C08863808_decoy,GCR,Decoy,0,-5.61496,-4.13,-2.63,-3.272709576394355
Clc1ccc(SCc2nc(Oc3ccc(-n4ccnc4)cc3)c3c4c(sc3n2)CCC4)cc1,C12546371_decoy,GCR,Decoy,0,-8.8337,-3.86,-3.07,-4.247126445231271
CCOc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nc3sc4c(c3c2=O)CCCC4)cc1,C02360481_decoy,GCR,Decoy,0,-7.97393,-3.43,-4.82,-3.442038873789547
Cc1ccc(C(=O)[C@H](OC(=O)CCN2c3ccccc3Sc3ccccc32)c2ccc(C)cc2)cc1,C03326053_decoy,GCR,Decoy,0,-9.34665,-5.35,-4.03,-5.504135613443306
Cc1ccc(C(=O)[C@@H](OC(=O)CCN2c3ccccc3Sc3ccccc32)c2ccc(C)cc2)cc1,C03326051_decoy,GCR,Decoy,0,-6.05599,-5.29,-3.75,-4.334821491879407
Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)c(Br)c3)C(=O)O2)cc1,C02818389_decoy,GCR,Decoy,0,-8.29629,-3.21,-3.16,-3.7333639404540215
CCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C)cc1,C16503669_decoy,GCR,Decoy,0,-6.97818,-3.7,-3.12,-3.915699450332483
CCCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)c1ccc2ccccc2c1,C16530803_decoy,GCR,Decoy,0,-6.01161,-3.0,-3.32,-3.0862069164723622
C[C@H]1C[C@H](C)CN(C(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)C1,C20179475_decoy,GCR,Decoy,0,-7.48623,-3.51,-2.05,-3.397039350716249
C=CCn1c(SCc2c(F)c(F)cc(F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc12,C25165200_decoy,GCR,Decoy,0,-10.9465,-7.06,-2.75,-7.814813677616002
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc(Cl)c(Cl)c1Cl,C25392994_decoy,GCR,Decoy,0,-7.82262,-2.9,-4.49,-3.4127766886321504
O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)N1CCCc2ccccc21,C03309250_decoy,GCR,Decoy,0,-6.52642,-5.96,-2.03,-3.980348295722273
O=c1cc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c2c(ccc3ccccc32)o1,C03295449_decoy,GCR,Decoy,0,-7.64436,-11.15,-2.29,-8.595108458418242
Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1Br,C16193169_decoy,GCR,Decoy,0,-11.6167,-3.9,-2.82,-4.987307085619083
O=C(CSc1nnc(-c2ccccc2Br)n1C1CCCCC1)c1ccc(Cl)cc1,C32686820_decoy,GCR,Decoy,0,-9.99719,-3.95,-2.88,-4.495606888397636
CN(C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)C1CCCCC1,C16035462_decoy,GCR,Decoy,0,-10.7418,-3.36,-3.23,-6.663576766969432
CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(s/c(=C/c3c(Cl)cccc3Cl)c2=O)=N1,C34847586_decoy,GCR,Decoy,0,-11.4479,-2.99,-2.69,-4.483054766636447
O=C(/C=C/c1ccccc1OC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Br)cc1,C34966352_decoy,GCR,Decoy,0,-5.38557,-5.05,-3.1,-3.2614898661581284
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)N=C2SCN(c3ccccc3C(F)(F)F)CN12,C35682246_decoy,GCR,Decoy,0,-10.5243,-2.43,-1.1,-3.988319124167031
CC(C)CN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCCC1,C16502770_decoy,GCR,Decoy,0,-7.51211,-2.45,-4.96,-3.1274647475438364
CCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCCC1,C16503674_decoy,GCR,Decoy,0,-6.99952,-5.34,-1.75,-4.022450797301722
CCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)C1CCCCC1,C16503676_decoy,GCR,Decoy,0,-6.6234,2.78,-4.77,-1.3462539937853184
CCCCc1ccc(C(=O)N2CCN(c3nc(C(C)C)nc4sc5c(c34)CC[C@@H](C)C5)CC2)cc1,C35865888_decoy,GCR,Decoy,0,-10.0692,-3.51,-5.19,-4.670104450397513
CC[C@H](C(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c23)CCCCC4)CC1)c1ccccc1,C35892390_decoy,GCR,Decoy,0,-10.54,-2.1,-4.97,-4.406841784706109
COc1cc(OC)c(N(C)C(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)cc1Cl,C08596634_decoy,GCR,Decoy,0,-10.9347,-7.88,-1.25,-9.151685184751097
CC(C)Oc1ccc(C(=O)N(/N=C/c2ccc(Br)cc2)c2nc3ccccc3s2)cc1,C39713116_decoy,GCR,Decoy,0,-7.34973,-4.09,-3.72,-3.805636032931408
COc1ccc(/C=N/N(C(=O)/C=C/c2ccccc2)c2nc3ccc(Br)cc3s2)cc1,C39713832_decoy,GCR,Decoy,0,-8.84626,-3.68,-2.31,-4.234075798525507
CCOc1ccc(/C=N/N(C(=O)c2cccc(Br)c2)c2nc3ccc(C)cc3s2)cc1,C39714251_decoy,GCR,Decoy,0,-10.1207,-4.26,-3.29,-4.924372499306437
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S/C1=N\c1ccncc1Cl,C39864411_decoy,GCR,Decoy,0,-12.3467,-3.44,-3.42,-4.8658011206855925
Cc1ccc(C)c(N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(Cl)cc2)c1,C40966069_decoy,GCR,Decoy,0,-7.04356,-3.68,-2.42,-3.522724449433374
C[C@H]1C[C@H]1c1ccc(CN(Cc2ccco2)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)o1,C47132492_decoy,GCR,Decoy,0,-12.3389,-3.64,-2.28,-5.236157742618777
O=C1/C(=C/c2cccc(Br)c2)S/C(=N/N=C\C=C\c2ccccc2)N1Cc1ccco1,C47138758_decoy,GCR,Decoy,0,-11.1933,-4.64,-4.43,-5.144564065036877
C[C@@H](Sc1nnc(-c2cccs2)n1[C@@H](C)[C@H]1C[C@@H]2CC[C@H]1C2)C(=O)N1CCCc2ccccc21,C03397627_decoy,GCR,Decoy,0,-10.4635,-5.77,-4.45,-5.859413041969443
COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)S/C2=C\c2cccs2)cc1,C54201701_decoy,GCR,Decoy,0,-7.63122,-3.74,-1.96,-3.5713291314882394
COC(=O)C1=NN(c2ccc(OC)cc2)[C@]2(S1)S[C@@H](c1ccc(C(C)C)cc1)c1ccccc12,C59126145_decoy,GCR,Decoy,0,-8.60013,12.29,-2.63,1.1633699978211125
COC(=O)C1=NN(c2ccc(OC)cc2)[C@@]2(S1)S[C@@H](c1ccc(C(C)C)cc1)c1ccccc12,C59126149_decoy,GCR,Decoy,0,-6.41451,6.34,-2.42,-0.0230726609636581
O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1,C59194585_decoy,GCR,Decoy,0,-13.587,-5.01,-4.3,-5.221287882469738
CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)C[C@H]1C,C59461974_decoy,GCR,Decoy,0,-10.0279,-2.61,-2.74,-4.326018430113883
O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1,C59643776_decoy,GCR,Decoy,0,-6.62631,-4.36,-3.27,-3.65251685330774
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C(=O)C[C@@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@]4(C)[C@H]3C(=O)C[C@H]2C1(C)C,C15222667_decoy,GCR,Decoy,0,-12.1648,-3.2,-3.86,-5.23911367616583
CCCCCc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1,C02030420_decoy,GCR,Decoy,0,-9.8402,-2.37,-0.99,-4.411505364569991
O=C(Nc1ccccc1)N(C/C=C/c1ccccc1)[C@@H]1CCCc2ccccc21,C04407483_decoy,GCR,Decoy,0,-5.5724,-6.01,-3.02,-4.105560480141265
CC(C)(C)C1=CC(Nc2ccc(Br)cc2)=C(C(C)(C)C)C(=O)C1=O,C03126787_decoy,GCR,Decoy,0,-9.32673,-3.17,-1.63,-4.061563100572001
CC(C)(C)c1ccc(Cn2c(NCc3cccs3)nc3ccccc32)cc1,C04562529_decoy,GCR,Decoy,0,-10.6395,-9.44,-4.55,-10.606158584921692
Cc1ccc(Sc2cc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3n2)cc1,C04564311_decoy,GCR,Decoy,0,-10.8352,-4.14,-2.87,-5.0644820384503895
C[C@@H](NC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12)c1ccccc1,C03035172_decoy,GCR,Decoy,0,-10.7329,-6.52,-1.63,-6.41075597272659
CC[C@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1,C04663434_decoy,GCR,Decoy,0,-8.79293,-3.9,-1.38,-4.13315803960704
CC[C@@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1,C04663437_decoy,GCR,Decoy,0,-9.84695,-4.37,-4.51,-4.841713620657645
CCC(C)(C)[C@H]1CCc2sc3ncnc(NCCc4ccccc4)c3c2C1,C01787933_decoy,GCR,Decoy,0,-10.4663,-3.42,-0.82,-4.939758720817532
Cc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)cc1F,C02910606_decoy,GCR,Decoy,0,-7.39296,-4.77,-5.03,-3.6666328659484
C=C/C(=C\C=C(C)C)NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1Cl,C04892688_decoy,GCR,Decoy,0,-10.8205,-7.14,-3.93,-11.144902160125769
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CC1(c1ccccc1)c1ccccc1,C04976223_decoy,GCR,Decoy,0,-9.88738,-7.61,-1.23,-6.988971837876745
CCCCC#C[C@@H](O)c1c(-c2ccccc2)nn(C)c1Sc1ccccc1,C03049341_decoy,GCR,Decoy,0,-9.69969,-3.56,-1.05,-4.60748435849414
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)c(Cl)c1,C05725313_decoy,GCR,Decoy,0,-10.4592,-2.67,-2.23,-4.06282412622795
c1ccc(C(Nc2nc(-c3cccs3)nc3ccccc23)c2ccccc2)cc1,C03453473_decoy,GCR,Decoy,0,-10.216,-3.73,-1.86,-4.664425435512534
CCCCc1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1,C06342774_decoy,GCR,Decoy,0,-10.0057,-3.34,-0.9,-3.9533891958466727
CC(C)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1,C07009503_decoy,GCR,Decoy,0,-10.3475,-3.84,-1.25,-4.665806828937751
Cc1ccc(CCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C08908803_decoy,GCR,Decoy,0,-11.3009,-4.32,-0.93,-5.006850132341695
CCCCc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1,C12590832_decoy,GCR,Decoy,0,-10.0773,-5.05,-5.62,-6.188860281362803
Cc1ccc(C)c(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,C06516809_decoy,GCR,Decoy,0,-9.74036,-4.86,-4.74,-4.932309430492704
Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc(Cc2ccncc2)cc1,C06548555_decoy,GCR,Decoy,0,-9.7847,4.46,-0.66,-2.098172361642134
CC(C)CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2,C13644547_decoy,GCR,Decoy,0,-11.035,25.14,-1.96,5.447787764487915
CC(C)CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2,C13644550_decoy,GCR,Decoy,0,-11.2263,-8.67,-1.31,-9.6030512472824
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1,C13708587_decoy,GCR,Decoy,0,-9.82385,-10.07,-3.06,-9.383277536135552
CC[C@@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C)c1ccccc1,C13765500_decoy,GCR,Decoy,0,-9.36673,-4.76,-3.07,-4.91587203984362
Cc1ccsc1[C@@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21,C14456048_decoy,GCR,Decoy,0,-11.0375,-9.85,-1.61,-12.946121507052064
Cc1ccc([C@H]2Nc3c(OCCOc4ccccc4)cccc3[C@H]3C=CC[C@H]32)s1,C14456750_decoy,GCR,Decoy,0,-9.86794,-9.01,-2.78,-10.22009327555953
CCCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2,C14457720_decoy,GCR,Decoy,0,-10.8801,-2.56,-1.5,-4.494290694538417
CC(C)c1ccc([C@H]2Nc3ccc(OC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1,C14463201_decoy,GCR,Decoy,0,-11.5645,-2.62,-4.01,-4.3114964117903485
Cc1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1,C14650436_decoy,GCR,Decoy,0,-9.24054,-8.77,-4.09,-8.744327270519841
CCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1Cl,C14651918_decoy,GCR,Decoy,0,-9.44312,-7.96,-4.09,-9.471953650385874
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12,C15678358_decoy,GCR,Decoy,0,-10.3823,-10.12,-4.14,-12.59808610899017
CCCC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1,C20132992_decoy,GCR,Decoy,0,-10.8878,-7.55,-4.22,-9.471109255308017
CCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3cccc4ccccc34)s2)cc1,C23446956_decoy,GCR,Decoy,0,-9.56591,-3.94,-1.92,-5.587581797471297
CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C(c1ccccc1)c1ccccc1,C35181224_decoy,GCR,Decoy,0,-11.285,5.52,-1.75,-2.936235432355129
O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2nc3ccccc3s2)s1,C35553624_decoy,GCR,Decoy,0,-9.65873,-3.38,-0.95,-5.078240016606859
O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccccc1,C03047517_decoy,GCR,Decoy,0,-11.1559,-4.05,-2.71,-5.252632876554279
CCOc1cc2c(cc1-c1ccccc1O)/C(=C/c1ccccc1)N(SC)C2,C39499204_decoy,GCR,Decoy,0,-10.7352,6.34,-2.19,-1.8186568310528184
O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC1CCCCCC1,C39707166_decoy,GCR,Decoy,0,-10.334,-11.08,-3.54,-12.051773854880729
CC(C)c1ccccc1NC(=O)c1ccc(CSc2ccc3ccccc3n2)cc1,C44946407_decoy,GCR,Decoy,0,-11.5456,-6.36,-3.68,-6.698260029402679
CCCCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1,C13284539_decoy,GCR,Decoy,0,-10.8897,-1.89,-4.14,-4.215229320894665
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1,C06280574_decoy,GCR,Decoy,0,-9.68721,-5.03,-4.02,-5.190161567211406
CC(C)(C)c1ccc(OCC(=O)NC2CCCCCCC2)c(Br)c1,C59210986_decoy,GCR,Decoy,0,-9.28599,-5.56,-1.56,-5.205761487212727
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cccc(F)c1,C59240689_decoy,GCR,Decoy,0,-10.7951,-10.78,-2.51,-14.562754938749851
CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1,C59434709_decoy,GCR,Decoy,0,-9.22007,-4.33,-2.03,-4.673394734417163
Cc1cc(C)cc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1,C64472721_decoy,GCR,Decoy,0,-10.0244,-4.23,-2.35,-4.89622283978067
Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)c(C(C)(C)C)c1,C64985192_decoy,GCR,Decoy,0,-9.42983,-8.62,-1.05,-15.54529685199688
Cc1cc(C)cc(OCC(=O)Nc2ccc(C(C)(C)C)cc2Br)c1,C65001445_decoy,GCR,Decoy,0,-9.34496,-8.33,-3.88,-12.109604234979871
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1Br,C65001500_decoy,GCR,Decoy,0,-9.83504,-7.33,-3.34,-7.566313684544423
CC(C)Cc1ccc([C@H](C)C(=O)NC(=S)N2CCCc3ccccc32)cc1,C66199568_decoy,GCR,Decoy,0,-10.2842,-4.71,-1.34,-5.339964851000872
CCN1C(=O)c2cccc3c(NC(=O)c4sc5ccccc5c4Cl)ccc1c23,C03200889_decoy,GCR,Decoy,0,-10.7284,-2.42,-0.81,-3.797400558431805
Cc1ccc(-c2csc(/C(C#N)=N/Nc3ccc(Br)cc3)n2)cc1,C04175432_decoy,GCR,Decoy,0,-9.47221,-4.65,-0.67,-4.428580920611327
Cc1nc(Nc2ccccc2)cc(-c2cncc(-c3cc4ccccc4s3)c2)n1,C01497060_decoy,GCR,Decoy,0,-10.0044,-3.71,-3.39,-4.492173143476083
CC(C)c1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCCC2,C01240299_decoy,GCR,Decoy,0,-9.63911,-6.84,-2.82,-6.677694974080105
CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2,C04427339_decoy,GCR,Decoy,0,-10.7153,-4.51,-1.69,-5.458142487781161
COc1ccc(-c2csc(N/N=C\c3c4ccccc4cc4ccccc34)n2)cc1,C04475428_decoy,GCR,Decoy,0,-10.6,-6.52,-4.07,-5.9605840047684575
FC(F)(F)c1cc(-c2ccc(Cl)cc2)n/c(=N\N=C/c2ccccc2Cl)[nH]1,C04480116_decoy,GCR,Decoy,0,-9.86087,-8.78,-2.38,-8.810406199488083
O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccc(F)cc2F)n1,C02956219_decoy,GCR,Decoy,0,-12.586,-11.47,-0.91,-11.668818976160596
Cc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)cc1Cl,C02714241_decoy,GCR,Decoy,0,-9.73108,-4.6,-0.84,-4.690997834521841
O=c1oc2c(Cl)cc(Cl)cc2cc1-c1csc(Nc2ccccc2F)n1,C04744010_decoy,GCR,Decoy,0,-11.7744,-10.12,-0.79,-13.094954405166895
Cc1cc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)c2ccccc2n1,C04877832_decoy,GCR,Decoy,0,-7.56073,-7.24,-0.6,-4.221054303619555
Cc1cc(C)c2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3C)nc2c1,C01206296_decoy,GCR,Decoy,0,-9.94436,-3.17,-3.27,-4.020934224586649
Fc1cccc(Cl)c1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1,C05069566_decoy,GCR,Decoy,0,-9.95548,-4.25,-4.12,-4.407535566232792
C/C(=N\Nc1ncnc2sc3c(c12)CCCC3)c1ccc(-c2ccccc2)cc1,C05269569_decoy,GCR,Decoy,0,-10.5028,-4.34,-5.17,-4.510858853613931
CC1(C)C=Cc2c(O)c(C(=O)/C=C\c3ccccc3)c3c(c2O1)C=CC(C)(C)O3,C05663591_decoy,GCR,Decoy,0,-8.05462,-3.29,-3.23,-3.19238568043548
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2,C01945755_decoy,GCR,Decoy,0,-10.6624,-2.62,-0.94,-4.207274347643798
Cc1cccc(-c2n[nH]c(=S)n2/N=C/c2c3ccccc3cc3ccccc23)c1,C06174181_decoy,GCR,Decoy,0,-9.62033,-9.52,-2.23,-9.015929947937122
CC(C)(C)c1ccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1,C06306227_decoy,GCR,Decoy,0,-10.0067,-3.52,-2.1,-4.193735699655342
O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1cccc2ccccc12,C03285357_decoy,GCR,Decoy,0,-10.622,-9.19,-1.46,-10.644316044422688
COc1ccc2sc(Nc3nc(-c4ccc(Br)cc4)cs3)nc2c1,C10068858_decoy,GCR,Decoy,0,-12.391,-2.96,-0.57,-4.685786470950077
CSc1cccc2sc(Nc3nc(-c4nc5ccccc5s4)cs3)nc12,C10068979_decoy,GCR,Decoy,0,-11.0415,-6.45,-2.15,-6.692884071327705
C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)S1,C01044324_decoy,GCR,Decoy,0,-10.3756,-3.84,-1.46,-4.730255942426239
O[C@H](/C(=C\C=C\c1ccccc1)n1nnc2ccccc21)c1ccc(Cl)cc1Cl,C15771910_decoy,GCR,Decoy,0,-8.72957,-4.61,-3.9,-4.115848217241002
COc1ccc(-c2[nH]/c(=N/N=C/c3ccc(Br)cc3F)sc2C)cc1,C19880908_decoy,GCR,Decoy,0,-10.8302,-3.57,-0.96,-4.785037403669033
Cc1ccc(N[C@H](c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1Cl,C20178371_decoy,GCR,Decoy,0,-10.1191,-9.56,-2.6,-9.756153610493032
CCc1ccccc1NC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccs1,C21891354_decoy,GCR,Decoy,0,-9.60345,-3.94,-2.02,-4.345229667824847
C/C(=C\c1ccccc1)C(=O)Nc1cc(-c2onc3c2CCCC3)ccc1Cl,C23314235_decoy,GCR,Decoy,0,-10.2227,-3.77,-0.9,-4.377182554191854
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl,C28287360_decoy,GCR,Decoy,0,-12.068,-4.71,-0.32,-5.175168151263248
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1cc(-c3cccs3)nc3ccccc13)CCC2,C33042782_decoy,GCR,Decoy,0,-11.5222,-4.33,-1.95,-4.880898583739637
CC(C)(C)[C@@H]1CCC[C@@H]2C1=NN(c1nc3ccccc3s1)[C@]2(O)C(F)(F)F,C36056939_decoy,GCR,Decoy,0,-10.0482,-3.78,-4.17,-4.1686851777365534
CCc1ccc(N[C@@H](C)c2ccc(I)cc2)cc1[N+](=O)[O-],C37313548_decoy,GCR,Decoy,0,-8.35785,-6.97,-1.51,-6.753684951198895
Brc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1,C38344219_decoy,GCR,Decoy,0,-6.57109,-4.51,-2.03,-3.104032665575984
COc1ccc([C@@H](CC(C)C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1,C38755177_decoy,GCR,Decoy,0,-9.13409,-3.3,-2.05,-4.434303846384505
Fc1ccccc1CN1C[C@H](/C=N/N=c2/[nH]c3ccccc3s2)c2ccccc21,C38959077_decoy,GCR,Decoy,0,-10.8065,-4.22,-2.69,-4.685951435828197
N#C/C(=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1,C39884584_decoy,GCR,Decoy,0,-12.2103,-5.7,-1.87,-5.660740232728942
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl,C39884604_decoy,GCR,Decoy,0,-10.3162,-5.15,-2.88,-4.637216439724827
Cc1cc2oc(Nc3ccccc3)c(-c3ccc(Br)cc3)c2c(=O)o1,C39921110_decoy,GCR,Decoy,0,-10.122,-2.34,-1.44,-3.710675635323259
Cc1ccc2nc(-c3ccc(NC(=O)c4cc5cccc(F)c5o4)cc3)sc2c1,C41331931_decoy,GCR,Decoy,0,-10.8987,-5.05,-0.78,-4.702085648961015
Cc1ccc(Br)cc1S(=O)(=O)/N=c1/[nH]c(C(C)(C)C)cs1,C42294615_decoy,GCR,Decoy,0,-8.9748,-6.42,-0.86,-6.052705489291791
O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(SC(F)(F)F)cc1,C45868953_decoy,GCR,Decoy,0,-9.22751,7.49,-0.86,-0.7242793645241044
Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4C)ccc32)c1,C46078673_decoy,GCR,Decoy,0,-10.3975,-4.23,-2.13,-4.538574740471707
Oc1ccc2ccccc2c1C1=CC(c2ccccc2)=N[C@@H]2OC(c3ccccc3)=N[C@H]12,C48547402_decoy,GCR,Decoy,0,-5.95825,-7.4,-3.47,-3.675871055789212
O=C(/C=C/c1ccccc1)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccccc1,C05180333_decoy,GCR,Decoy,0,-9.18591,-3.77,-1.66,-4.224856261926932
CCOC(=O)c1c(/N=C/c2c(O)ccc3ccccc23)sc2c1CC[C@@H](C)C2,C00677178_decoy,GCR,Decoy,0,-10.0981,-4.19,-1.39,-4.593070557542993
CC(C)(C(=O)[O-])c1ccc(C2=c3cc(-c4ccc5ccccc5c4)cnc3=[NH+]C2)cc1,C52565916_decoy,GCR,Decoy,0,-10.7877,16.06,-4.14,1.945025909171353
CO[C@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1,C57350374_decoy,GCR,Decoy,0,-10.6603,-3.09,-1.12,-4.658371119189016
O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2c(Cl)c(Cl)ccc2s1,C59294453_decoy,GCR,Decoy,0,-11.3647,-4.6,-2.88,-5.308411700357425
C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)/C=C/c1ccc(N(C)C)cc1,C59416082_decoy,GCR,Decoy,0,-10.9307,-5.2,-3.45,-5.371351652126332
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(Cl)c1,C59435303_decoy,GCR,Decoy,0,-10.2367,-7.06,-2.49,-6.612374628175289
O=C(CSc1ncc(-c2ccccc2)[nH]1)N1c2ccccc2Sc2ccccc21,C12615720_decoy,GCR,Decoy,0,-8.47568,-3.75,-1.51,-3.95426310682061
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2Br)c1[O-],C05273501_decoy,GCR,Decoy,0,-8.04554,-7.46,-2.41,-7.233127199691281
CC[C@H](Sc1ncnc2scc(-c3ccc(C)c(C)c3)c12)C(=O)[O-],C01935913_decoy,GCR,Decoy,0,-9.27945,-4.34,-2.25,-4.438815048213387
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Cl)cc2)c1[O-],C05569336_decoy,GCR,Decoy,0,-8.27431,-7.62,-0.86,-7.167045844093552
CC(C)Oc1ccccc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)[O-],C06047673_decoy,GCR,Decoy,0,-8.92883,-3.28,-3.32,-3.61364003145192
COc1cc(Br)c(O[C@H](C(=O)[O-])C(C)C)c(C(C)(C)C)c1,C11828852_decoy,GCR,Decoy,0,-8.44679,-6.78,-3.04,-7.659055450954471
CC(C)(C)c1ccc(OCc2ccc(C(=O)[O-])o2)c(Br)c1,C11890929_decoy,GCR,Decoy,0,-9.24534,-7.49,-0.6,-7.2531088661434175
Cc1cc(O[C@H](C)c2ccc(C(=O)[O-])o2)c(C)c(C)c1Br,C11891411_decoy,GCR,Decoy,0,-9.58208,-7.75,-1.05,-7.462844454410884
Cc1cc(O[C@@H](C)c2ccc(C(=O)[O-])o2)c(C)c(C)c1Br,C11891414_decoy,GCR,Decoy,0,-9.35986,-8.21,-1.12,-7.780553951936682
Cc1oc(C(=O)[O-])cc1COc1ccc(C(C)C)cc1Br,C11891916_decoy,GCR,Decoy,0,-9.45523,-8.14,-2.65,-8.015639011171322
O=C([O-])c1csc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1,C11947208_decoy,GCR,Decoy,0,-9.34823,-8.27,-2.47,-10.960057412404757
O=C([O-])/C=C/c1ccc(Sc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1,C13276270_decoy,GCR,Decoy,0,-7.74032,-8.79,-2.06,-10.221662824540893
O=C([O-])c1cc(Sc2ccccc2Br)ccc1[N+](=O)[O-],C13276445_decoy,GCR,Decoy,0,-8.59778,-8.09,-1.11,-11.14702464066602
Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)c1C,C13278391_decoy,GCR,Decoy,0,-8.64678,-9.71,-0.94,-10.680204254784234
O=C([O-])c1cc(/C=C/c2csc(-c3ccccc3)n2)nc2ccccc12,C13361703_decoy,GCR,Decoy,0,-9.22209,-3.66,-2.3,-3.882373743459359
CC(C)[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(Cl)cc1,C13448655_decoy,GCR,Decoy,0,-10.1931,-4.1,-0.77,-4.653262426892864
Cc1ccc(C(C)C)c(OCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c1,C13448904_decoy,GCR,Decoy,0,-9.16148,-5.8,-1.84,-5.781357965265384
O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(c2cccc(F)c2)CCCC1,C13449077_decoy,GCR,Decoy,0,-9.43518,-3.92,-0.13,-4.477711385352939
[S-]c1nnc(COc2ccc(-c3ccccc3)cc2)n1-c1ccccc1,C05557305_decoy,GCR,Decoy,0,-8.0677,-10.21,-0.83,-8.342166804096257
[S-]c1nnc(-c2ccc(Cl)cc2Cl)n1/N=C/c1cccs1,C01306061_decoy,GCR,Decoy,0,-9.29482,-7.14,-1.73,-9.402740660668185
[S-]c1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1,C03239640_decoy,GCR,Decoy,0,-9.53713,-6.46,-3.43,-7.533112248216415
Cc1cc([O-])c(C2=NCCS[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1,C05441477_decoy,GCR,Decoy,0,-9.77309,-1.65,-2.56,-3.2289797092273536
CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1[N-]c1ccc(C)c(C)c1,C20465670_decoy,GCR,Decoy,0,-9.3946,-3.9,-5.68,-3.859418212920964
CCCCCC(=O)n1c([O-])c2cc(Br)ccc2nc1=S,C06856481_decoy,GCR,Decoy,0,-2.40495,2.39,-1.83,-0.0057907847571779
O=C([O-])c1ccc(Sc2ccc(Br)cc2[N+](=O)[O-])cc1,C21011179_decoy,GCR,Decoy,0,-7.85905,-5.25,-1.58,-4.593582027583754
CC(=O)n1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3c2)c2ccccc21,C26947219_decoy,GCR,Decoy,0,-9.05586,-6.3,-5.42,-8.85126437972923
[S-]c1nnc(-c2cccs2)n1/N=C/c1cccc(Cl)c1Cl,C28379867_decoy,GCR,Decoy,0,-9.77716,-7.57,,99.0
[S-]c1nnc(-c2cccs2)n1/N=C/c1ccc(Cl)cc1Cl,C28380062_decoy,GCR,Decoy,0,-9.89129,-3.19,-3.04,-3.881340405950729
CCOc1ccc(/C=N/n2c([S-])nnc2-c2ccc(Cl)cc2)cc1,C01478066_decoy,GCR,Decoy,0,-9.16386,-3.96,-1.11,-4.312153587556188
Cc1ccc(/C=N\n2c([S-])nnc2-c2ccc(C(C)(C)C)cc2)s1,C02272984_decoy,GCR,Decoy,0,-9.82921,-3.1,-3.2,-3.853971376741496
O=C(CSc1nc2ncc(Cl)cc2[n-]1)c1ccc2ccccc2c1,C06088155_decoy,GCR,Decoy,0,-9.854,-9.49,-1.3,-8.592458419808644
CCC[C@@H](C)n1c(SCC(=O)[O-])nc2cc(Br)ccc21,C36898843_decoy,GCR,Decoy,0,-8.41166,-7.04,-2.6,-9.645883103321198
O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1[O-],C04828935_decoy,GCR,Decoy,0,-6.62209,-4.98,-2.95,-3.497213588284698
[S-]c1nnc(-c2cccs2)n1/N=C/c1c(Cl)cccc1Cl,C13142187_decoy,GCR,Decoy,0,-9.78234,-7.37,-1.53,-7.947544992339426
CC1=C(c2ccccc2)[C@H](/N=C2/C=C([O-])C[C@@H](c3ccc(C)cc3)C2)N=N1,C38571189_decoy,GCR,Decoy,0,-10.6898,-2.88,-1.92,-3.900251862724816
CC(C)c1ccc(O[C@@H](C)c2ccc(C(=O)[O-])o2)c(Br)c1,C39791389_decoy,GCR,Decoy,0,-9.26154,-8.31,-0.61,-7.9733193323729346
CC(C)c1cc([O-])nc(SCc2cc(Cl)cc3c2OCOC3)n1,C41627263_decoy,GCR,Decoy,0,-9.61719,-8.6,-2.57,-8.815757857577857
CC(C)CCO[C@@](C)(C(=O)[O-])c1cc2cc(Br)ccc2o1,C41924397_decoy,GCR,Decoy,0,-7.84401,-6.38,-1.57,-6.061236308428218
CCC(C)(C)O[C@@](C)(C(=O)[O-])c1cc2cc(Br)ccc2o1,C41952424_decoy,GCR,Decoy,0,-7.02832,-7.66,-0.69,-9.313558567308284
Cc1ccc(C(C)C)cc1O[C@@H](C)/C([O-])=C(/C#N)C(=O)N1CCCCC1,C48984818_decoy,GCR,Decoy,0,-8.69528,-7.29,-2.46,-7.834683916716652
N#C/C(C(=O)N1CCCCC1)=C(/[O-])c1ccc(-c2ccccc2F)s1,C48985669_decoy,GCR,Decoy,0,-8.5905,-9.69,-2.63,-8.18906079005681
CC(C)(C)[C@@H]1CCc2sc(/C([O-])=C(/C#N)C(=O)N3CCCC3)cc2C1,C48988092_decoy,GCR,Decoy,0,-9.66767,-4.96,-6.14,-4.682024812190903
N#C/C(C(=O)c1ccco1)=C(/[O-])c1cc2cccc(Br)c2o1,C49212627_decoy,GCR,Decoy,0,-9.06035,-7.33,-3.83,-6.764667592939374
O=C([O-])c1cc2c(cc1OCc1ccc(Br)s1)OCO2,C49776970_decoy,GCR,Decoy,0,-8.693,-6.57,-0.41,-5.835398464259522
O=C(C1=C([O-])/C(=C/c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl,C05072701_decoy,GCR,Decoy,0,-8.06307,-8.66,-1.23,-6.234463061804494
Cc1ccsc1/C=C1/S/C(=N/c2cccc(C(=O)[O-])c2)N(C)C1=O,C59599989_decoy,GCR,Decoy,0,-10.3221,-3.55,-1.86,-4.104680634274227
O=C([O-])c1nn(-c2cc(Br)ccc2Cl)c2c1CCCC2,C61691911_decoy,GCR,Decoy,0,-8.59354,-7.87,-1.55,-8.572126100658624
C[C@H](Cn1c([O-])c2sc3ncccc3c2nc1=S)c1ccccc1,C15828874_decoy,GCR,Decoy,0,-9.59152,-4.77,-1.27,-4.753841639209618
O=C([O-])c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1,C66144904_decoy,GCR,Decoy,0,-8.95303,-8.25,-0.56,-9.008180227437698
O=C1N=C([N-]C2CCCC2)S/C1=C/c1cnc(-c2ccccc2)s1,C66255839_decoy,GCR,Decoy,0,-9.53424,-2.65,-2.07,-3.6238064530879166
Cc1ccc(/C([O-])=C(\C#N)C(=O)c2cccc(OC3CCCC3)c2)s1,C66730669_decoy,GCR,Decoy,0,-10.2691,-6.72,-0.76,-7.936719863049338
O=c1cc(CSc2nnc(Nc3ccccc3F)s2)c2c(ccc3ccccc32)o1,C03345874_decoy,GCR,Decoy,0,-9.49671,-4.51,-2.01,-4.74750256182413
CCSc1nnc2c(n1)O[C@H](/C(C)=C/c1ccccc1)Nc1ccc(Br)cc1-2,C02086947_decoy,GCR,Decoy,0,-9.07291,-2.87,-2.21,-3.531318896752164
Cc1cc(OCc2ccc(/C=N/NC(=O)c3csc4c3CCCC4)o2)ccc1Cl,C02089865_decoy,GCR,Decoy,0,-11.0862,-8.64,-5.24,-8.000084169681804
C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nc2ccccc2c(=O)[nH]1,C08755717_decoy,GCR,Decoy,0,-9.04822,-5.27,-3.34,-5.014514900459496
Cc1ccc(NC(=O)[C@H](C)n2cnc3sc(C)c(-c4ccc(C)c(C)c4)c3c2=O)c(C)c1,C01980934_decoy,GCR,Decoy,0,-9.8011,-3.5,-4.71,-4.233497890020952
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C08816051_decoy,GCR,Decoy,0,-11.5315,-4.67,-1.87,-5.857011811909403
C[C@H](C(=O)Nc1ccccc1Cl)n1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3,C08893605_decoy,GCR,Decoy,0,-12.0018,-2.47,-3.26,-4.547644533248531
Cc1cccc(NC(=O)[C@H](C)n2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)c1C,C08920221_decoy,GCR,Decoy,0,-7.89357,-5.09,-1.62,-4.193670859933245
Cc1cccc(NC(=O)[C@@H](C)n2cnc3scc(-c4ccc(C(C)C)cc4)c3c2=O)c1C,C08922004_decoy,GCR,Decoy,0,-7.4459,-2.89,-2.59,-3.36880932249291
Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(=O)Nc2c(C)cc(C)cc2C)cc1,C08950712_decoy,GCR,Decoy,0,-6.77008,-3.52,-4.27,-3.087181275358059
Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3Cl)c1C2,C09116429_decoy,GCR,Decoy,0,-6.49473,-3.25,-5.1,-2.6774021777900066
COc1ccc(-c2cn3c(n2)sc2cc(C(=O)Nc4cc(C)ccc4C)ccc23)cc1,C09406409_decoy,GCR,Decoy,0,-11.3323,1.16,-0.94,-3.909963312239905
Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1,C01074908_decoy,GCR,Decoy,0,-11.547,-3.37,-3.4,-4.9720843597181394
CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1,C01167358_decoy,GCR,Decoy,0,-10.8178,-1.12,-4.69,-4.146985820849086
Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2C)cc1,C10264085_decoy,GCR,Decoy,0,-9.7938,-3.42,-2.72,-4.485740657833808
Cc1cc(C)cc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C)nc3ccccc3c2=O)c1,C10536608_decoy,GCR,Decoy,0,-8.85005,-4.46,-4.12,-4.3738395546987245
O=C(CCc1ccc2c(c1)OCO2)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F,C12052453_decoy,GCR,Decoy,0,-8.44435,-1.66,-2.49,-3.0734780897959944
O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc(Cl)c(Cl)cc1Cl,C03360486_decoy,GCR,Decoy,0,-11.396,-6.33,-1.97,-7.569392296973632
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccn2c1C(=O)c1ccc(F)cc1,C12621327_decoy,GCR,Decoy,0,-11.2715,-2.74,-1.61,-4.794498684626034
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1-n1cccc1,C04063027_decoy,GCR,Decoy,0,-10.0385,-4.31,-2.73,-3.311299442350056
O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc21,C20765701_decoy,GCR,Decoy,0,-10.9533,-11.07,-3.59,-10.752114302807051
Cc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1C,C22606119_decoy,GCR,Decoy,0,-5.4572,-3.6,-2.72,-3.095458766332603
COc1ccc(-c2cc(NC(=O)C3CCCC3)n(-c3cc(Cl)ccc3Cl)n2)cc1,C23427306_decoy,GCR,Decoy,0,-10.7104,-2.26,-2.57,-4.375593455456147
Cc1cc(C)c2c(c1)c(C)cc(=O)n2[C@@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1,C32527153_decoy,GCR,Decoy,0,-10.0317,-3.7,-2.74,-4.739362795461464
Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)nn2)cc1,C32951490_decoy,GCR,Decoy,0,-10.7632,-4.52,-5.13,-4.986473516799455
Cc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)c(C)c1,C33031976_decoy,GCR,Decoy,0,-9.46673,-3.91,-4.77,-4.516657431168132
CCOc1ccccc1NC(=O)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@H]1CC,C33265530_decoy,GCR,Decoy,0,-5.76178,-3.67,-1.68,-2.724657746184994
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1,C33568113_decoy,GCR,Decoy,0,-9.95503,-4.53,-1.87,-4.6553001285792135
Cc1ccc(N=C2/C(=C/Nc3ccc(C)cc3)CCc3c2c(C)nn3-c2ccccn2)cc1,C18140210_decoy,GCR,Decoy,0,-5.6416,5.06,-4.13,-0.1573438752347516
Cc1ccc(Sc2ccc(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)nn2)cc1,C08592487_decoy,GCR,Decoy,0,-10.5441,-2.4,-2.19,-3.9694348091231153
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1C=C(c2ccc(-c3ccccc3)cc2)N=N1,C39577485_decoy,GCR,Decoy,0,-10.3636,15.44,-1.87,1.6962670348048237
O=C(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(Cl)cc1Cl,C36703310_decoy,GCR,Decoy,0,-11.51,25.92,-2.23,5.053229316688692
O=C1C(Nc2ccc(Cl)cc2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21,C09030547_decoy,GCR,Decoy,0,-11.4081,-6.05,-5.46,-5.8582246779376295
CC1(C)Cc2ccccc2-c2nc(N/N=C/c3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c21,C40033211_decoy,GCR,Decoy,0,-6.13672,-5.02,-4.91,-3.2023318251117026
CC[C@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccccc3)n(-c3ccc(C)cc3)c(=O)c21,C40035018_decoy,GCR,Decoy,0,-6.73402,-3.38,-3.98,-2.9005562871803057
CC[C@@]1(C)Cc2ccccc2-c2nc(N/N=C/c3cccs3)n(-c3ccc(C)cc3)c(=O)c21,C40035384_decoy,GCR,Decoy,0,-5.70142,-2.48,-1.48,-2.256596883647238
CCn1c(N/N=C/c2ccc(SC)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C40036913_decoy,GCR,Decoy,0,-11.3985,-3.47,-5.16,-4.6545185906318025
CCCOc1cccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2C(C)(C)C)c1,C40343321_decoy,GCR,Decoy,0,-9.68122,-3.41,-3.19,-4.473746332035142
Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3sccc3n2C(C)C)cc1,C40799050_decoy,GCR,Decoy,0,-5.83788,-4.2,-4.19,-3.0578352452302218
CCCCCN1C(=O)/C(=N\NC(=O)c2cccc(C)c2)c2cc(Br)ccc21,C40840326_decoy,GCR,Decoy,0,-7.30893,-2.89,-1.0,-3.524756715947241
CSc1cccc(NC(=O)C2CCN(c3nccc(-c4c(C)cc(C)cc4C)n3)CC2)c1,C40868416_decoy,GCR,Decoy,0,-10.1945,-3.86,-3.6,-4.737637818849015
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3nccc(-c4c(C)cc(C)cc4C)n3)C2)c1,C40871314_decoy,GCR,Decoy,0,-11.1057,-3.48,-1.23,-4.865992752742013
Cc1ccc(NC(=O)c2sc3ncn(Cc4ccc(Cl)cc4)c(=O)c3c2C)cc1Cl,C41024084_decoy,GCR,Decoy,0,-11.7862,-3.91,-1.41,-4.427851031381645
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1-c1nc2ccccc2s1,C48344662_decoy,GCR,Decoy,0,-10.4634,-4.29,-1.42,-4.681718661305992
Cc1nn(C)c(C)c1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2,C02771989_decoy,GCR,Decoy,0,-7.81918,-3.72,-4.55,-3.4466244915147577
O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1,C57476936_decoy,GCR,Decoy,0,-10.1896,-8.52,-1.28,-7.685416076884167
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(Cl)ccc4nsnc34)o2)cc1Cl,C59294444_decoy,GCR,Decoy,0,-10.7701,-3.78,-2.57,-4.464071253564479
O=C(Nc1ccc(/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1Cl)c1ccco1,C59400172_decoy,GCR,Decoy,0,-11.337,5.2,-2.53,-2.2440693903169464
COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1,C59433568_decoy,GCR,Decoy,0,-9.089,-3.33,-4.63,-3.7280783222698712
CCc1ccccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1,C64819072_decoy,GCR,Decoy,0,-10.6605,-4.64,-2.05,-4.939293802750079
CC(C)(C)[C@H]1C/C(=C\c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)[O-])c2C1,C03885051_decoy,GCR,Decoy,0,-5.6355,-3.41,-3.76,-2.365834450186783
O=C1/C(=C/c2ccccc2[S-])N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1,C06019458_decoy,GCR,Decoy,0,-11.3579,3.14,-4.23,-2.756356545799294
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(C)c(Cl)c2)o1,C08442940_decoy,GCR,Decoy,0,-11.6548,-5.28,-1.3,-5.173604869388638
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)c(Cl)c1)C2=O,C08450184_decoy,GCR,Decoy,0,-10.5015,-1.07,-1.41,-3.923913452675434
COc1cc(C)c(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1C(C)C,C08454167_decoy,GCR,Decoy,0,-10.2385,-1.48,-2.17,-3.7862724514584194
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(Br)cc2)c1[O-])CCCC3,C09065066_decoy,GCR,Decoy,0,-9.09485,-4.02,-1.01,-4.232864233728579
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1ccc(F)cc1,C12349978_decoy,GCR,Decoy,0,-11.0924,-5.11,-1.36,-5.167114326792725
C[C@H](Oc1ccc(C(=O)/C=C/c2ccc(-c3nc4ccccc4s3)o2)cc1)C(=O)[O-],C13060007_decoy,GCR,Decoy,0,-10.6257,-4.41,-3.21,-5.178041492738259
O=C([O-])c1ccccc1C(=O)c1ccc(Sc2ccc3ccccc3c2)c([N+](=O)[O-])c1,C13275778_decoy,GCR,Decoy,0,-8.55239,-6.65,-4.29,-5.016582537057563
CC(C)c1ccc(-n2c(SCc3occc3C(=O)[O-])nc3ccccc3c2=O)cc1,C13412140_decoy,GCR,Decoy,0,-7.66984,-4.03,-4.67,-3.864840204649822
CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1,C16681894_decoy,GCR,Decoy,0,-5.61667,-4.23,-2.22,-2.789196688941284
C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1,C16928898_decoy,GCR,Decoy,0,-6.98853,-4.04,-2.33,-3.634988812004588
CCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)S/C1=N\c1cccc(C(=O)[O-])c1,C16931653_decoy,GCR,Decoy,0,-11.1394,-3.93,-1.47,-4.997490711377203
COc1ccc(-c2nnc([S-])n2-c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1,C09089681_decoy,GCR,Decoy,0,-10.6508,-5.36,-3.29,-5.03369070884339
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C)cc3)sc2c1,C09123541_decoy,GCR,Decoy,0,-11.1384,-2.95,-2.31,-4.538602820962479
O=C([O-])c1cc(/C=C/c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc12,C22014092_decoy,GCR,Decoy,0,-8.79376,-5.45,-0.94,-4.377467029840717
O=C([O-])c1cc(/C=C/c2ccc(OC(F)(F)F)cc2)nc2ccc(Br)cc12,C22143562_decoy,GCR,Decoy,0,-9.30216,-4.0,-1.02,-4.398419386542551
CC(C)CCOc1cccc(-c2nc3c4c5c(sc4nc([O-])n3n2)CC[C@H](C)C5)c1,C27516829_decoy,GCR,Decoy,0,-9.82629,-4.43,-3.77,-4.776406523420815
CC(C)CCOc1cccc(-c2nc3c4c5c(sc4nc([O-])n3n2)CC[C@@H](C)C5)c1,C27516830_decoy,GCR,Decoy,0,-11.3636,-3.23,-5.66,-4.478837615679819
Cc1ccc(OCc2nc3c4c5c(sc4nc([O-])n3n2)C[C@H](C(C)(C)C)CC5)cc1,C27516909_decoy,GCR,Decoy,0,-7.38433,-4.64,-0.72,-3.9848591962058086
Cc1ccccc1OCc1nc2c3c4c(sc3nc([O-])n2n1)C[C@@H](C(C)(C)C)CC4,C27516912_decoy,GCR,Decoy,0,-7.36132,-2.76,-0.64,-3.1030942325202395
CC(C)CCOc1ccc(-c2nc3c4c5c(sc4nc([O-])n3n2)C[C@@H](C)CC5)cc1,C27516964_decoy,GCR,Decoy,0,-10.3022,-2.81,-3.96,-3.9965840743646472
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nc([O-])c2c3c(sc2n1)CCCC3,C28356944_decoy,GCR,Decoy,0,-12.69,-3.48,-3.75,-5.760151364010498
CC/N=C1/S/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)N1CC,C09261574_decoy,GCR,Decoy,0,-10.5862,-7.74,-1.53,-13.604862561860184
CCn1c2ccccc2c2cc(/C=N\n3c([S-])nnc3-c3ccc(Cl)cc3)ccc21,C01833907_decoy,GCR,Decoy,0,-9.95084,-3.51,-1.28,-4.365914368386732
COc1cc(-c2nc([S-])c3c(n2)Oc2ccc(Br)cc2C3)cc(OC)c1OC,C02693345_decoy,GCR,Decoy,0,-10.781,-3.52,-2.38,-4.264459106087705
CC(C)(C)c1ccc(-c2nnc([S-])n2/N=C/c2ccc(Br)s2)cc1,C02706402_decoy,GCR,Decoy,0,-10.5166,-5.72,-2.39,-6.663829792959572
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)C(C)C)N2[C@H]1c1ccc(Cl)cc1,C34923602_decoy,GCR,Decoy,0,-9.89404,-4.27,-2.41,-4.876472660906679
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2ccco2)c1,C34955402_decoy,GCR,Decoy,0,-8.16709,-3.64,-3.32,-3.4686968884673908
CCOc1cc(C)c(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1C(C)C,C35656849_decoy,GCR,Decoy,0,-10.3471,-7.41,-1.93,-8.821169920511176
CCN(C)/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccs3)N12,C35702039_decoy,GCR,Decoy,0,-9.95749,10.99,-0.79,0.3954070290006746
CCn1c([O-])c(C(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(C)c(C#N)c1=O,C38616246_decoy,GCR,Decoy,0,-11.0375,-6.54,-1.37,-8.470087091967647
Cc1ccc(Cn2c([O-])c(C(=O)COc3c(C)cc(C)cc3C)c(C)c(C#N)c2=O)cc1,C38624207_decoy,GCR,Decoy,0,-8.24897,-3.46,-5.05,-3.9037634230770335
O=C([O-])c1cccc(/N=C2\S/C(=C/c3ccc(Br)o3)C(=O)N2c2ccccc2)c1,C39866743_decoy,GCR,Decoy,0,-7.22736,-4.75,-2.5,-3.960178907985699
CCCCCCn1c([O-])c(/N=N/c2ccccc2Br)c(C)c(C#N)c1=O,C39870989_decoy,GCR,Decoy,0,-9.0544,-2.83,-4.11,-4.24767663239851
CN(C)c1ccc(/C=C(C#N)/C([O-])=N/c2nnc(SCc3ccccc3Cl)s2)cc1,C39997282_decoy,GCR,Decoy,0,-12.1061,-3.63,-2.21,-5.027478616836315
N#CC(=C\C1=Cc2ccccc2OC1)/C([O-])=N/c1nnc(SCc2ccccc2Cl)s1,C39997343_decoy,GCR,Decoy,0,-10.7061,-5.08,-3.94,-4.914417468632452
CCCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)s1,C39998156_decoy,GCR,Decoy,0,-12.146,-5.72,-4.79,-6.885092128964502
Cc1sc(/N=C([O-])/C(C#N)=C/c2ccc(C(C)C)cc2)nc1-c1cccc(Cl)c1,C40927247_decoy,GCR,Decoy,0,-10.5769,-6.17,-3.85,-6.728183469576171
N#CC(=C\c1ccc(Cl)cc1)/C([O-])=N/c1nc(-c2ccc3c(c2)CCCC3)cs1,C41013097_decoy,GCR,Decoy,0,-12.3405,-5.93,-6.18,-5.670621190562383
N#CC(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)/C([O-])=N/c1nc2ccccc2s1,C41120715_decoy,GCR,Decoy,0,-7.20138,-5.64,-4.65,-4.0361046212439184
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(OC(F)(F)C(F)F)cc2)c1,C15134737_decoy,GCR,Decoy,0,-7.58551,-3.69,-1.09,-3.7411074623658647
N#C/C(=C1/SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nc2ccccc2[n-]1,C08636636_decoy,GCR,Decoy,0,-8.5065,-2.78,-3.4,-3.1014454465758994
Cc1cc(C)cc(N2C(=O)N=C([O-])/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1,C08997238_decoy,GCR,Decoy,0,-9.88846,-3.97,-6.12,-4.207409248041612
Cc1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cccc1-c1nc2ccccc2s1,C59476404_decoy,GCR,Decoy,0,-9.05449,-3.48,-2.8,-3.506134267660393
Cc1cccc(-n2c(C)cc(/C=C3/S/C(=N/c4cccc(C(=O)[O-])c4)N(C)C3=O)c2C)c1C,C59599824_decoy,GCR,Decoy,0,-12.6674,-3.36,-2.97,-4.61014195755676
Cc1ccccc1N1C(=O)N=C([O-])/C(=C\c2ccc(-c3ccc(Br)c(C)c3C)o2)C1=O,C59862833_decoy,GCR,Decoy,0,-8.80694,-3.26,-3.74,-3.4493408145921167
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C2CCCC([O-])=C2[C@H]1c1ccco1,C13189467_decoy,GCR,Decoy,0,-10.0587,-5.18,-5.02,-5.236163253497919
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(C)cc3)C(=O)N=C2[O-])cc1,C08769860_decoy2,GCR,Decoy,0,-11.253,-2.25,,-4.457821456546646
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccccc3C)C(=O)N=C2[O-])cc1,C02220015_decoy,GCR,Decoy,0,-10.2697,-2.93,-4.47,-4.1940690927559565
CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC,C08454165_decoy,GCR,Decoy,0,-10.778,-6.77,-3.67,-7.449476966771415
CCCc1nnc(SCc2ccc(Br)cc2)n1/N=C/c1ccc(C(=O)[O-])cc1,C02611159_decoy,GCR,Decoy,0,-8.94756,5.62,-1.48,-1.1767496431115585
O=C([O-])c1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)cc1,C08935140_decoy,GCR,Decoy,0,-9.34188,-4.79,-3.06,-4.476888197162122
O=C([O-])c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3ncc(-c4ccccc4)o3)nc2c1,C13016741_decoy,GCR,Decoy,0,-6.80746,5.64,-4.88,-0.391138598818787
CCCCn1c(SCc2noc(-c3ccc(F)cc3)c2C)nc2cc(C(=O)[O-])ccc2c1=O,C13044532_decoy,GCR,Decoy,0,-10.2318,20.5,-1.78,4.127834744037773
O=C([O-])c1ccc2c(=O)n(Cc3ccccc3)c(SCc3coc(-c4cccs4)n3)nc2c1,C13044994_decoy,GCR,Decoy,0,-11.8709,-3.51,-4.24,-5.114576197966164
O=C([O-])c1ccc2c(=O)n(Cc3ccco3)c(SCCOc3ccc(Cl)cc3Cl)nc2c1,C13050784_decoy,GCR,Decoy,0,-8.50673,-2.64,-4.01,-3.685759148932669
O=C([O-])/C=C/c1ccc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)Oc2ccccc2)cc1,C13088171_decoy,GCR,Decoy,0,-10.6968,-3.84,-2.37,-5.282573579546568
Cc1ccc(-c2nc(CSc3nnc(-c4ccc(C)cc4)n3CCC(=O)[O-])cs2)cc1,C13196768_decoy,GCR,Decoy,0,-8.63739,-0.96,-2.51,-4.688318790753186
CSc1ccc2cc(CSc3nnc(-c4ccc(C)cc4)n3CCC(=O)[O-])c(Cl)nc2c1,C13197400_decoy,GCR,Decoy,0,-10.0814,-3.51,-2.54,-4.363223595264303
C=CCn1c(SCc2nc3cc(C(=O)[O-])ccc3n2CC)nc2sc3c(c2c1=O)CCCCC3,C13218529_decoy,GCR,Decoy,0,-6.67658,-4.26,-2.43,-3.3366234475733823
CCn1c(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)nc2cc(C(=O)[O-])ccc21,C13218655_decoy,GCR,Decoy,0,-11.1457,-5.54,-3.09,-6.197030798948544
C[C@H]1CCc2c(sc3nc(SCc4ccc(C(=O)[O-])cc4)n(Cc4ccco4)c(=O)c23)C1,C13237042_decoy,GCR,Decoy,0,-9.72965,-3.52,-2.63,-4.294873193436106
Cc1ccc(C(=O)[C@@H](C)Sc2nc3cc(C(=O)[O-])ccc3c(=O)n2-c2ccccc2F)cc1,C13280062_decoy,GCR,Decoy,0,-9.81728,-5.48,-4.31,-5.123873923342968
CC(C)CCn1c(SCc2occc2C(=O)[O-])nc2sc3c(c2c1=O)CC[C@@H](C)C3,C13395455_decoy,GCR,Decoy,0,-10.434,-2.68,-17.88,-4.385738280067516
CCn1c(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)nc2cc(C(=O)[O-])ccc2c1=O,C13404470_decoy,GCR,Decoy,0,-11.2555,-1.91,-3.49,-4.347591785824901
CCCCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)[O-])sc4cccc(F)c34)nnc12,C13409586_decoy,GCR,Decoy,0,-9.24546,-4.17,-4.03,-4.69954794580155
O=C([O-])c1oc2ccccc2c1CSc1nnc(-c2sc3ccccc3c2Cl)o1,C13416948_decoy,GCR,Decoy,0,-11.6277,-7.78,-1.3,-7.681238952447641
C=CCOc1c(Br)cc(/C=C(\Cl)c2nc3cc(C(=O)[O-])ccc3n2CC)cc1OC,C13458053_decoy,GCR,Decoy,0,-12.3325,-2.72,-2.85,-5.093973549858509
Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc([N+](=O)[O-])c4[O-])ccc3o2)cc1C,C03113652_decoy,GCR,Decoy,0,-9.07486,12.91,-1.8,1.243555554073997
N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(C(=O)[O-])cc1,C16474603_decoy,GCR,Decoy,0,-10.8982,-2.92,-4.17,-4.331662285593142
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1,C08900126_decoy,GCR,Decoy,0,-11.229,10.08,-3.94,-0.5130722799354165
[S-]c1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1,C20617907_decoy,GCR,Decoy,0,-11.8765,-6.34,-3.99,-7.7534534873131316
O=C([O-])c1cccc(-n2cccc2/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1,C32116882_decoy,GCR,Decoy,0,-8.64788,-9.64,-4.12,-9.100481245523856
CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C33516174_decoy,GCR,Decoy,0,-10.4843,-3.62,-3.63,-4.808660102241454
Cc1ccc(N2C(=O)N=C([O-])/C(=C/c3cccn3CCOc3ccc(C(C)C)cc3)C2=O)cc1Cl,C33538309_decoy,GCR,Decoy,0,-11.0064,-3.6,-4.13,-4.738737944418004
CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1,C34932098_decoy,GCR,Decoy,0,-9.60356,-1.81,-3.75,-3.823718972927295
CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1,C35263458_decoy,GCR,Decoy,0,-11.2021,-2.21,-3.2,-4.513168823425218
CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)S/C1=N\c1ccc(C(=O)[O-])cc1,C35656572_decoy,GCR,Decoy,0,-6.2241,-3.38,-4.41,-3.127353745616181
CCOc1ccc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)c(OCC)c1,C35656960_decoy,GCR,Decoy,0,-9.822,-3.5,-3.29,-4.579376334405257
CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc(Br)c1OC,C35657047_decoy,GCR,Decoy,0,-6.78304,-4.02,-3.36,-3.636593342634367
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2C)N2C(/C=C(\[O-])N3CCOCC3)=CSC2=N1,C36071933_decoy,GCR,Decoy,0,-10.5077,-4.92,-4.47,-5.141813417720565
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1,C08973570_decoy,GCR,Decoy,0,-11.1792,-2.44,-4.44,-4.489653673314182
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1,C08974086_decoy,GCR,Decoy,0,-7.70647,-3.52,-4.85,-3.763136148644643
CC(C)CCOc1ccc(-c2nc3c4c5c(sc4nc([O-])n3n2)COC(C)(C)C5)cc1,C09530772_decoy,GCR,Decoy,0,-10.3528,-3.64,-1.41,-4.536315647113024
CCOc1cc(N(CC)CC)ccc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O,C35657050_decoy,GCR,Decoy,0,-10.4575,-0.13,-3.81,-4.094785906145276
C[C@H]1Oc2ccccc2C=C1/C=C(C#N)/C([O-])=N/c1nnc(SCc2ccccc2Cl)s1,C39997337_decoy,GCR,Decoy,0,-12.2109,6.33,-4.78,-2.16308936017474
Cc1ccc(CSc2nnc(/N=C([O-])/C(C#N)=C/C3=Cc4ccccc4O[C@H]3C)s2)cc1,C39997590_decoy,GCR,Decoy,0,-11.9617,-3.16,-1.45,-4.732965095654066
N#CC(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)/C([O-])=N/c1ncc(Cc2ccccc2F)s1,C40147231_decoy,GCR,Decoy,0,-11.7006,-1.36,-5.29,-4.809153248644651
N#CC(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)/C([O-])=N/c1nc2ccccc2s1,C41120705_decoy,GCR,Decoy,0,-12.0426,-6.86,-3.24,-6.309923950273729
C[C@H](COc1ccccc1)Cn1cc(/C=C(C#N)/C([O-])=N/c2nc3ccccc3s2)c2ccccc21,C41120733_decoy,GCR,Decoy,0,-11.1053,-6.87,-4.32,-6.064069560301853
CC(C)c1ccc(SCC(=O)N2CC(=O)N(CCc3cccs3)c3ccc(C(=O)[O-])cc32)cc1,C43259418_decoy,GCR,Decoy,0,-11.731,-4.43,-3.86,-5.490938523993583
Cc1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3CCOc3ccc(C(C)(C)C)cc3)C2=O)cc1Cl,C09458507_decoy,GCR,Decoy,0,-10.6819,-6.14,-2.36,-6.252008546721949
N#CC(=C\c1ccccc1OCc1ccccc1)/C([O-])=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F,C13388091_decoy,GCR,Decoy,0,-9.59935,-5.73,-4.01,-5.399152295309087
N#CC(=C\c1cn(Cc2ccccc2)c2ccccc12)/C([O-])=N/c1cc([N+](=O)[O-])ccc1Cl,C59281594_decoy,GCR,Decoy,0,-10.8552,-4.59,-2.98,-5.441095451480615
COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2C)cc1,C06565998_decoy,GCR,Decoy,0,-10.0664,-2.49,-2.55,-3.882120332886063
CC[C@@H](Oc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(CC)C1=O)C(C)=O,C16932244_decoy,GCR,Decoy,0,-8.50707,-3.1,-2.1,-4.017014797438076
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3CCOc3cccc(C)c3)C(=O)N=C2[O-])cc1,C09166281_decoy,GCR,Decoy,0,-10.0654,-3.38,-3.23,-4.25930133913563
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3)C(=O)N=C2[O-])cc1,C08739492_decoy,GCR,Decoy,0,-10.1656,-3.07,-1.99,-4.610468504827759
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3Cl)C(=O)N=C2[O-])cc1,C17058851_decoy,GCR,Decoy,0,-10.6277,-3.35,-3.64,-4.817641212351161
Cc1ccc(C(c2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])cc2)c2ccc(C)o2)o1,C04280955_decoy,GCR,Decoy,0,-7.76173,-7.4,-2.6,-5.035507455777509
Cc1ccc(C(c2ccc(/N=C/c3cc([N+](=O)[O-])c4ccccc4c3[O-])cc2)c2ccc(C)o2)o1,C04280958_decoy,GCR,Decoy,0,-4.95242,-8.1,-4.16,-3.8429092876915902
Cc1cccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])cc3)nc12,C08826588_decoy,GCR,Decoy,0,-10.8951,-9.6,-1.46,-8.200873248170337
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1,C08934999_decoy,GCR,Decoy,0,-10.0447,-5.78,-2.51,-4.788654041316456
CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=Nc1cccc(C(=O)[O-])c1,C09012148_decoy,GCR,Decoy,0,-9.17934,-7.1,-2.7,-8.108498877584987
O=C([O-])c1cccc(-n2cccc2/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1,C09720799_decoy,GCR,Decoy,0,-9.11928,-6.44,-3.88,-7.64568850115809
O=C([O-])c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3cc(Cl)cc4c3OCOC4)nc2c1,C13016687_decoy,GCR,Decoy,0,-10.4028,-4.97,-3.53,-5.255196149772723
CCCCn1c(SCc2cc(=O)oc3cc(C)ccc23)nc2cc(C(=O)[O-])ccc2c1=O,C13044213_decoy,GCR,Decoy,0,-7.66866,-3.96,-2.72,-3.865086835125756
C=CCn1c(SCCOc2cc(Cl)ccc2Cl)nc2cc(C(=O)[O-])ccc2c1=O,C13194991_decoy,GCR,Decoy,0,-8.12588,-3.04,-3.04,-3.8585457591963688
COc1cc(/C=C2\CCCCn3c2nc2sc(C(=O)[O-])c(C)c2c3=O)ccc1OCCC(C)C,C13215266_decoy,GCR,Decoy,0,-12.7767,4.69,-2.99,-2.9843005795474897
O=C([O-])c1ccccc1C(=O)c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1,C13275239_decoy,GCR,Decoy,0,-6.60174,-5.16,-4.7,-3.953163144660172
O=C([O-])c1ccccc1C(=O)c1ccc(Oc2ccc(Br)cc2F)c([N+](=O)[O-])c1,C13275706_decoy,GCR,Decoy,0,-6.56566,-5.5,-2.79,-3.9431779789882015
Cc1ccc(C(=O)[C@H](C)Sc2nc3cc(C(=O)[O-])ccc3c(=O)n2-c2ccccc2F)cc1,C13280063_decoy,GCR,Decoy,0,-9.80075,-5.95,-2.12,-5.311837544365206
O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)c(SCc3coc(-c4cccs4)n3)nc2c1,C13280086_decoy,GCR,Decoy,0,-10.9925,-3.96,-3.91,-5.069710363869666
O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)c(SCc3cc(-c4cccs4)on3)nc2c1,C13280101_decoy,GCR,Decoy,0,-9.68318,-3.76,-1.42,-4.68896959773794
CCN(CC)c1ccc(-c2nnc(SCc3c(C(=O)[O-])sc4cccc(F)c34)o2)cc1,C13400533_decoy,GCR,Decoy,0,-10.5573,-4.8,-1.28,-5.383481254295953
CCc1cccc(-n2c(SCc3c(C(=O)[O-])sc4cccc(F)c34)nnc2N2CCOCC2)c1,C13403372_decoy,GCR,Decoy,0,-10.4569,-3.18,-2.07,-4.614763548556278
COc1ccc2ccc(OC)c(/C=C3\S/C(=N\c4cccc(C(=O)[O-])c4)N(C)C3=O)c2c1,C13689192_decoy,GCR,Decoy,0,-9.86069,-6.95,-2.43,-7.770649334413451
C[C@@H]1C/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2nc3ccccc3c(C(=O)[O-])c2C1,C14360341_decoy,GCR,Decoy,0,-6.36871,-3.77,-2.97,-2.8614402403086547
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1[O-],C03083468_decoy,GCR,Decoy,0,-11.1615,-2.89,-2.3,-4.347997966513789
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1[O-],C03144751_decoy,GCR,Decoy,0,-10.8977,-3.52,-2.04,-4.211708473464454
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c2)c1,C15773865_decoy,GCR,Decoy,0,-9.90374,-9.36,-2.08,-10.50184185915026
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1[O-],C16194960_decoy,GCR,Decoy,0,-9.95473,-5.36,-1.94,-4.784509692514821
Cc1cc(C)c2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(Br)c4[O-])cc3)nc2c1,C03032295_decoy,GCR,Decoy,0,-11.1546,-4.99,-2.08,-4.902253785559649
Cc1nc(-c2ccco2)nc2sc(/C([O-])=N/c3nnc(SCc4ccc(F)cc4)s3)c(C)c12,C25246351_decoy,GCR,Decoy,0,-12.4674,-9.58,-1.48,-9.109802818502844
CCCc1ccc(-c2nn[n-]n2)c(-c2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)cc2)c1,C27729731_decoy,GCR,Decoy,0,-11.1926,-4.08,-4.12,-5.240849082749874
O=C([O-])c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccc(Br)cc12,C28355965_decoy,GCR,Decoy,0,-10.6676,-5.63,-1.1,-5.084861604136824
C=C1[C@@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)[O-])[C@@H]4CC[C@@]3([C@H]1OC(=O)/C(C)=C\C)[C@H]2OC(C)=O,C31157697_decoy,GCR,Decoy,0,-5.5555,-2.05,-0.97,-2.1627916733608754
Cc1cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c([O-])c([N+](=O)[O-])c1,C32115550_decoy,GCR,Decoy,0,-10.76,-4.78,-5.4,-4.788674789385004
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C)o3)sc2c1,C33445148_decoy,GCR,Decoy,0,-10.5624,-4.05,-3.43,-4.405829214651792
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc([O-])c3ccccc3n2)cc1,C16736647_decoy,GCR,Decoy,0,-11.3054,2.64,-1.96,-3.055574813749105
CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N\c1ccc(C(=O)[O-])cc1,C33758225_decoy,GCR,Decoy,0,-8.7094,-3.36,-2.14,-3.9945548363056567
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1,C33814054_decoy,GCR,Decoy,0,-7.17016,-3.95,-3.67,-3.63411850424916
CCN1C(=O)/C(=C/c2ccc(I)o2)S/C1=N\c1ccc(C(=O)[O-])cc1,C35656692_decoy,GCR,Decoy,0,-9.62088,-2.3,-0.77,-3.5256796364930656
CCOc1cc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc(Br)c1OC,C35657198_decoy,GCR,Decoy,0,-10.2096,-2.83,-3.1,-3.8145765698296303
O=C([O-])c1ccc(CSc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(F)(F)F)n2)o1,C36025045_decoy,GCR,Decoy,0,-10.7113,1.05,-2.84,-4.049369092234349
CCCCCCn1c([O-])c(C(=O)c2oc3ccc(Br)cc3c2C)c(C)c(C#N)c1=O,C38627376_decoy,GCR,Decoy,0,-10.5696,-2.91,-1.93,-4.6724014759458425
CC(C)Cc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)s1,C39998134_decoy,GCR,Decoy,0,-12.3195,-6.28,-4.65,-6.900081386656073
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4c(C)nc5c(C)cccn45)[C@H]3c3ccccc3)sc2c1,C40003425_decoy,GCR,Decoy,0,-9.48829,-4.52,-4.37,-4.570547533479458
Cc1cc(C)cc(OCCOc2ccc(/C=C(C#N)/C([O-])=N/c3nc4ccccc4s3)cc2)c1,C41108885_decoy,GCR,Decoy,0,-9.81807,-7.92,-3.89,-7.114922595169488
CCc1ccccc1[N-]C1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1,C54164349_decoy,GCR,Decoy,0,-10.4505,-3.49,-2.35,-4.789956717300641
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1,C59239698_decoy,GCR,Decoy,0,-10.4791,-9.27,-2.76,-12.6817870935158
CCO/C([O-])=C1\C(=O)/C(=C/c2ccccc2OCc2ccccc2)S\C1=N/c1ccc(Cl)cc1,C59364555_decoy,GCR,Decoy,0,-9.62055,-3.1,-5.17,-4.224947765451764
CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N\c1ccc(OC)cc1,C33294017_decoy,GCR,Decoy,0,-12.1657,-7.64,-3.69,-8.179254311090013
COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)S/C1=N\c1ccccc1,C02141747_decoy,GCR,Decoy,0,-10.4498,-2.98,-1.14,-4.413234045152668
CCOc1cc(Br)c(/C=C2/S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC,C33928620_decoy,GCR,Decoy,0,-11.3256,-9.07,-1.59,-9.939142111584204
CC(C)c1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])cc1,C59859530_decoy,GCR,Decoy,0,-12.0803,-4.89,-0.41,-5.602994046695981
O=C1N=C([N-]c2cccc(Br)c2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1,C09311686_decoy,GCR,Decoy,0,-10.5136,-10.32,-2.14,-8.62175472946911
O=C([O-])c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(Cc4cccnc4)C3=O)o2)c1,C15978685_decoy,GCR,Decoy,0,-9.38115,-8.08,-3.29,-7.578298622907378
CC[C@H](Oc1ccccc1/C=C1\S/C(=N\c2ccccc2C(=O)[O-])N(CC)C1=O)C(C)=O,C16932046_decoy,GCR,Decoy,0,-9.39159,-3.43,,99.0
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1,C05022377_decoy,GCR,Decoy,0,-7.8667,-4.95,-2.3,-4.384328309335705
Cn1c(SCc2c(C(=O)[O-])oc3ccccc23)nc2sccc2c1=O,C13418123_decoy,GCR,Decoy,0,-8.49355,-9.02,-2.64,-8.534800061404715
Cc1ccc(N2C(=O)S/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1,C16906954_decoy,GCR,Decoy,0,-9.53546,-3.09,-5.0,-3.9922022317297103
Cc1cccc(N2C(=O)S/C(=C/c3cccc(O[C@@H](C)C(=O)[O-])c3)C2=O)c1C,C16909264_decoy,GCR,Decoy,0,-9.39744,-10.43,-1.79,-7.976468858129167
Cc1ccccc1N1C(=O)S/C(=C/c2ccccc2O[C@@H](C)C(=O)[O-])C1=O,C16910358_decoy,GCR,Decoy,0,-9.05774,-3.32,-1.67,-3.843845931788489
CC(=O)c1c([O-])c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O,C05408083_decoy,GCR,Decoy,0,-8.50388,-2.91,-4.95,-3.3087276159984382
CCc1ccccc1N1C(=O)N=C([O-])/C(=C/c2ccc(N(C)C)cc2)C1=O,C20170795_decoy,GCR,Decoy,0,-9.17511,-5.02,-4.58,-4.578686607283618
Cc1cn2c(=O)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)nc2s1,C20922095_decoy,GCR,Decoy,0,-9.21592,-8.29,-1.24,-9.998513283944876
Cc1nc2sc([C@@H](c3ccco3)N3CCc4ccccc4C3)c([O-])n2n1,C23158164_decoy,GCR,Decoy,0,-9.8093,-9.23,-2.71,-13.788614115400357
Cc1c(C(=O)[O-])sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2C(C)C,C27531766_decoy,GCR,Decoy,0,-9.31492,-4.07,-2.22,-4.318131236678257
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1[C@H]1C[C@H]2CC[C@@H]1C2,C28964796_decoy,GCR,Decoy,0,-9.42725,-9.12,-0.75,-10.570712173940285
COc1ccc(-c2nc3sc4c(n3c2CC(=O)[O-])CCCC4)cc1OC,C36301001_decoy,GCR,Decoy,0,-9.25679,-8.92,-1.39,-10.483984825493389
Cc1cc(C)n(-c2nc(SCC(=O)[O-])c3c4c(sc3n2)CCCC4)n1,C05556957_decoy,GCR,Decoy,0,-9.32756,-2.62,-4.96,-3.684449656484064
CC1=C(c2ccc(Cl)cc2)[C@@H](/N=C/C2=C([O-])C[C@H](c3ccco3)CC2=O)N=N1,C38568043_decoy,GCR,Decoy,0,-10.448,0.76,-0.69,-3.777032424443752
CO/C([O-])=C1/C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@H]2[C@@H]1c1ccccc1,C39379421_decoy,GCR,Decoy,0,-10.0968,-3.58,-2.75,-4.377245783565324
CO/C([O-])=C1/C(C)=NC2=NC(SCC(C)C)=NC(=O)[C@@H]2[C@@H]1c1ccccc1C,C39379439_decoy,GCR,Decoy,0,-10.0235,-2.96,-2.5,-4.388249544997147
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1C,C13094186_decoy,GCR,Decoy,0,-11.4421,-8.18,-0.99,-9.27233143201791
CC(=O)c1c(C)nc([O-])nc1SCc1cc(Cl)cc2c1OCOC2,C10915536_decoy,GCR,Decoy,0,-9.0299,-8.65,-1.93,-8.251108771994518
Cc1nc2scc(C(=O)[O-])c2c(=O)n1CCOc1cccc2ccccc12,C40691794_decoy,GCR,Decoy,0,-8.43291,-5.35,-1.61,-4.920931114774935
Cc1nn(C)c(C)c1C(=O)C1=C([O-])C(=O)N(C)[C@@H]1c1ccc(C(C)C)cc1,C41539065_decoy,GCR,Decoy,0,-8.48293,-3.88,-2.45,-4.109814815648655
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)c(F)c1,C43474623_decoy,GCR,Decoy,0,-7.86589,-7.63,-0.75,-9.785224564059932
COc1ccc(C(=O)[C@H](C#N)c2nc([O-])c3c4c(sc3n2)CCCC4)cc1,C46706975_decoy,GCR,Decoy,0,-9.63998,-7.52,-1.36,-8.227078736331748
COc1cccc(C(=O)[C@@H](C#N)c2nc([O-])c3c4c(sc3n2)CCCC4)c1,C46706999_decoy,GCR,Decoy,0,-9.35773,-7.65,-3.0,-7.95053022673965
N#Cc1cccc(C(=O)[C@@H](C#N)c2nc([O-])c3c4c(sc3n2)CCCC4)c1,C46707242_decoy,GCR,Decoy,0,-10.2897,-4.02,-1.95,-4.153691199309825
Cn1cc(C(=O)[C@@H](C#N)c2nc([O-])c3ccc(Cl)cc3n2)c2ccccc21,C47373445_decoy,GCR,Decoy,0,-9.76192,-9.19,-1.38,-8.497178472472875
O=S(=O)(/N=C([O-])/C=C\c1c(Cl)nc2sccn12)c1cccs1,C48427422_decoy,GCR,Decoy,0,-9.20288,-4.59,-2.01,-4.429877908328989
O=S(=O)(/N=C([O-])/C=C/c1c(Cl)nc2ccccn12)c1cccs1,C48427735_decoy,GCR,Decoy,0,-10.3555,-4.87,-1.66,-4.388847948227669
CCc1n[n-]c(Sc2ccc([N+](=O)[O-])c(I)c2)n1,C48554781_decoy,GCR,Decoy,0,-7.53133,-4.32,-1.01,-3.944633905467997
N#C/C(C(=O)N1CCCC1)=C(\[O-])c1ccc(-n2cc(Br)cn2)cc1,C48993654_decoy,GCR,Decoy,0,-8.92457,-5.02,-1.02,-4.705203824649075
N#C/C(C(=O)N1CCOCC1)=C(\[O-])c1cccc(OCc2cccs2)c1,C49099721_decoy,GCR,Decoy,0,-8.99485,-8.84,-3.51,-9.401013128791838
Cc1ccc2c(c1)C(C[C@H]1CN(C(=O)c3ccco3)CC[C@H]1CC(=O)[O-])=NCC2,C49590543_decoy,GCR,Decoy,0,-8.77363,-3.93,-2.68,-4.261599330727279
CCn1cc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(=O)N=C2[O-])c2ccccc21,C51325977_decoy,GCR,Decoy,0,-8.35498,-5.5,-4.22,-4.560920776775076
Cc1occc1/C([O-])=C(\C#N)C(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1,C54449370_decoy,GCR,Decoy,0,-9.41163,-8.49,-3.29,-9.39818456228974
O=C1OCCN1c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1,C57122339_decoy,GCR,Decoy,0,-10.0466,-7.65,-0.59,-8.217426358973116
C[C@H]1CCCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c([S-])nc3c2)C1,C14064313_decoy,GCR,Decoy,0,-10.7462,-3.47,-3.12,-4.3819484051672175
O=S(=O)(/N=C([O-])/C=C/c1c(F)cccc1F)c1ccc2c(c1)OCCCO2,C48536108_decoy,GCR,Decoy,0,-8.39597,-9.12,-1.79,-9.588733923342726
CCOc1ccc(/C=C(/C#N)c2nc3ncc(Br)cc3[n-]2)cc1OC,C59109346_decoy,GCR,Decoy,0,-10.6226,-8.71,-1.31,-10.75579645715265
CCN1C(=O)N=C([O-])/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O,C05947722_decoy,GCR,Decoy,0,-9.777,-4.91,-1.65,-4.80804084752688
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccn(Cc3ccncc3)n2)c1C,C60318355_decoy,GCR,Decoy,0,-8.99475,-9.63,-1.68,-8.77022008100181
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(F)cc1F,C60442202_decoy,GCR,Decoy,0,-7.06617,-7.6,-1.16,-7.465866287360493
O=c1cc(/C([O-])=N/S(=O)(=O)c2ccc(Cl)s2)oc2ccccc12,C46928740_decoy,GCR,Decoy,0,-10.4123,-4.42,-2.28,-4.488976812276851
C[C@H](Oc1cccc(C#N)c1)/C([O-])=N/S(=O)(=O)c1ccc2c(c1)CCC2,C63235021_decoy,GCR,Decoy,0,-8.59958,-7.22,-2.13,-7.592685634828737
Cc1ccc(/C=C(C#N)\C([O-])=N\S(=O)(=O)c2ccc(F)c3ncccc23)cc1,C64358573_decoy,GCR,Decoy,0,-9.07631,-4.29,-1.72,-4.183976247408508
CC(C)c1ccsc1/C([O-])=N/S(=O)(=O)c1ccc2c(c1)OCCCO2,C66003030_decoy,GCR,Decoy,0,-10.164,-3.34,-0.55,-4.186316072573312
O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1ccc2c(c1)OCCO2,C66254347_decoy,GCR,Decoy,0,-8.92207,-7.52,-2.11,-7.121745333233334
CC(=O)N(C)c1nc(/C=C(C#N)\C([O-])=N\c2cccc(Cl)c2Cl)cs1,C66406254_decoy,GCR,Decoy,0,-9.46943,-3.69,-3.52,-4.450158949401452
Cc1cc(C)cc(N2CC[C@H](/C([O-])=N/S(=O)(=O)c3ccccc3C)C2=O)c1,C66503783_decoy,GCR,Decoy,0,-8.94452,-9.02,-1.88,-9.050781210282038
Cc1cc(C)cc(N2CC[C@H](/C([O-])=N/S(=O)(=O)c3cccs3)C2=O)c1,C66503801_decoy,GCR,Decoy,0,-9.4291,-1.99,-2.2,-3.754160717070798
CCn1c([O-])c2ccc(C(=O)O[C@H]3CCCC[C@H]3OC)cc2nc1=S,C66533568_decoy,GCR,Decoy,0,-10.0636,-4.13,-1.08,-5.1258660077135145
O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1ccc(-n2cncn2)c(Cl)c1,C66584525_decoy,GCR,Decoy,0,-9.16389,-8.89,-1.43,-14.63440073472764
O=C([O-])[C@@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1,C03358689_decoy,GCR,Decoy,0,-9.63224,-2.39,-2.33,-3.617892995259752
O=C([O-])c1ccc(-n2c(/C=C/c3ccsc3)nc3ccccc3c2=O)cc1,C07784908_decoy,GCR,Decoy,0,-9.02988,-4.15,-3.48,-4.251615873875567
O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc4ccccc4o3)SC2=S)c1,C11292329_decoy,GCR,Decoy,0,-11.2448,-5.49,-1.06,-5.000644787041026
Cc1cc(C)c(C(=O)[O-])c(SCc2cc(=O)oc3cc(C)c(C)cc23)n1,C13022547_decoy,GCR,Decoy,0,-8.44637,-4.7,-2.98,-4.231814644620592
Cc1ccc(Sc2cnn(-c3ccccc3C(=O)[O-])c(=O)c2Cl)cc1,C13036439_decoy,GCR,Decoy,0,-9.09172,-5.4,-2.09,-5.188906665866957
O=C([O-])c1cc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)ccc1Cl,C13072546_decoy,GCR,Decoy,0,-9.93323,-7.88,-2.9,-11.502331732066937
O=C([O-])c1cc(S(=O)(=O)Oc2ccccc2Cl)ccc1Br,C13073958_decoy,GCR,Decoy,0,-9.15096,-7.15,-0.8,-10.550004245400372
O=C([O-])c1c2c(nc3ccccc13)/C(=C\c1ccc(-n3ccnc3)cc1)CCC2,C13078087_decoy,GCR,Decoy,0,-10.0654,-2.67,-0.65,-3.641524542350039
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1Br,C13191386_decoy,GCR,Decoy,0,-9.45923,-8.92,-1.73,-11.72803372367306
C[C@H](Oc1ccc(C(=O)[O-])cc1Br)C(=O)N1c2ccccc2C[C@@H]1C,C13191392_decoy,GCR,Decoy,0,-9.15762,-10.05,-0.83,-15.876736870555336
Cn1c(SCc2ccc(Br)cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13199141_decoy,GCR,Decoy,0,-10.2825,-4.77,-2.33,-5.070597261013724
CCn1c(SCc2c(F)cccc2Cl)nc2cc(C(=O)[O-])ccc2c1=O,C13201008_decoy,GCR,Decoy,0,-9.36639,-2.06,-1.25,-3.4682606319423344
C[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl,C13315680_decoy,GCR,Decoy,0,-11.1959,-3.95,-1.26,-5.070265614697044
O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(C(=O)[O-])cc1,C13338357_decoy,GCR,Decoy,0,-10.6037,-8.75,-0.24,-10.052970933602165
O=C([O-])[C@H]1CN(C(=O)/C=C/c2cccc(Cl)c2Cl)c2ccccc2O1,C13433642_decoy,GCR,Decoy,0,-8.70971,-2.74,-1.77,-3.478173185241597
O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1,C13434775_decoy,GCR,Decoy,0,-9.29708,-2.3,-3.33,-3.6506098862033496
Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C(=O)[O-])C3)n2)s1,C02554431_decoy,GCR,Decoy,0,-8.29511,-1.69,-0.77,-3.01754275921574
Cc1nc2nc(C(F)(F)F)nn2c([O-])c1Cc1ccc(Br)cc1,C09167639_decoy,GCR,Decoy,0,-8.0441,-4.17,-1.05,-4.028280924358705
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c(Cl)c1,C20978369_decoy,GCR,Decoy,0,-9.42567,-2.91,-0.82,-4.089874833542489
COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2[O-])c2ccccc12,C22107461_decoy,GCR,Decoy,0,-11.2625,-10.3,-3.87,-9.03838579852158
Cc1nc(-c2ccc(Cl)cc2)sc1/C([O-])=N/c1nnc(C(C)C)s1,C22975461_decoy,GCR,Decoy,0,-10.8529,-3.36,-5.05,-4.693645059637521
CCc1ccccc1N1C(=O)/C(=C/c2cccn2C(C)(C)C)C([O-])=NC1=S,C30803247_decoy,GCR,Decoy,0,-9.67145,-8.27,-4.64,-10.08551644229948
C[C@@H](Sc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3)C(=O)[O-],C02197216_decoy,GCR,Decoy,0,-8.21617,-2.97,-5.0,-3.319593988160864
O=C([O-])c1nnn(-c2c(Cl)cc(Br)cc2Cl)c1C1CC1,C37322487_decoy,GCR,Decoy,0,-9.42119,-7.8,-2.25,-8.953686309821789
O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1c(Cl)nc2sccn12,C37555495_decoy,GCR,Decoy,0,-9.27409,-7.77,-0.71,-8.004863069905431
C[C@@H]1CCc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c23)C1,C04812098_decoy,GCR,Decoy,0,-9.72236,-3.91,-2.87,-4.270446402918106
CC1=C(c2ccccc2)[C@@H](/N=C/C2=C([O-])C[C@@H](c3ccc(C)cc3)CC2=O)N=N1,C38567995_decoy,GCR,Decoy,0,-9.68847,-2.83,-4.75,-3.661772301599029
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc(I)cc2)c1,C39944671_decoy,GCR,Decoy,0,-7.82448,-7.19,-0.54,-6.371706065235451
CSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(Cl)cc2Cl)s1,C39994867_decoy,GCR,Decoy,0,-11.1549,-4.47,-3.39,-5.813066049165911
[O-]c1nc(/C(Cl)=C/c2csnn2)nc2sc(-c3ccccc3)cc12,C40139786_decoy,GCR,Decoy,0,-10.7964,-2.42,-4.42,-3.851240983283792
C=C(C)C[C@@H]1N(c2cccc3ccccc23)C(=O)[C@H]2[C@H](C(=O)[O-])[C@@H]3C=C[C@]12O3,C43727046_decoy,GCR,Decoy,0,-9.11216,-2.2,-2.01,-3.6666258718409264
Cc1ccc(-c2csc3nc(/C(Cl)=C/c4csnn4)nc([O-])c23)s1,C44026099_decoy,GCR,Decoy,0,-11.3709,-9.6,-1.1,-14.68724476803918
Cc1cc(C)cc(C(=O)[C@H](C#N)c2nc([O-])c3c4c(sc3n2)CCCC4)c1,C46707050_decoy,GCR,Decoy,0,-10.5772,-9.52,-4.28,-8.93996321972886
Cc1nc(-c2ccc(Cl)cc2)sc1/C([O-])=C(/C#N)C(=O)N1CCCC1,C48989773_decoy,GCR,Decoy,0,-9.51606,-4.98,-2.7,-4.563053242365166
CC(C)(C)[C@@H]1CCc2sc(/C([O-])=C(/C#N)C(=O)N3CCOCC3)cc2C1,C49096799_decoy,GCR,Decoy,0,-9.69519,-6.11,-0.78,-6.8046776647880165
CC(C)(C)c1nc(C(=O)[O-])nn1-c1ccc(Br)cc1Br,C49185908_decoy,GCR,Decoy,0,-9.46051,-7.83,-0.99,-8.441573695275675
CCN(C(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)c1ccc2ccccc2c1,C50679361_decoy,GCR,Decoy,0,-9.29443,-3.95,-5.23,-4.07047538190342
O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1Br,C58772830_decoy,GCR,Decoy,0,-8.98433,-9.16,-0.25,-8.392392875608072
CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C([O-])=NC1=S,C06938204_decoy,GCR,Decoy,0,-9.62794,-8.03,-2.21,-7.088769460389907
Cc1ccc(C(=O)[O-])cc1/N=C/c1cc(Br)c(N2CCCC2)o1,C59301922_decoy,GCR,Decoy,0,-9.88987,-3.63,-1.8,-4.231188997045537
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1Cl)C2=O,C59449771_decoy,GCR,Decoy,0,-8.75851,-3.45,-0.4,-3.483018428585588
COc1cc(/C=C(/C#N)c2nc([O-])c3ccc(Cl)cc3n2)ccc1SC,C63874416_decoy,GCR,Decoy,0,-11.3827,-3.23,-3.56,-4.46910204582826
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c(C)c1,C64919779_decoy,GCR,Decoy,0,-9.85521,-4.29,-2.05,-4.669541302199892
O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(-c2ccno2)s1,C65031090_decoy,GCR,Decoy,0,-10.3422,-7.84,-0.5,-7.07423117421068
CC1(C)CC(=O)c2sc([N-]S(=O)(=O)c3ccc(Cl)s3)nc2C1,C66247064_decoy,GCR,Decoy,0,-9.70303,-3.88,-1.9,-4.131919020551713
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1,C66254378_decoy,GCR,Decoy,0,-9.25771,-6.88,-1.19,-8.044444840805355
O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1ccc(F)c2ncccc12,C66254386_decoy,GCR,Decoy,0,-8.98373,-8.36,-1.43,-8.179241200840487
N#Cc1cc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)ccc1Cl,C66254392_decoy,GCR,Decoy,0,-10.3093,-8.67,-0.87,-10.20541070639014
C[C@@H](OC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1)c1ccc(F)cc1F,C66876317_decoy,GCR,Decoy,0,-9.33621,-3.91,-1.75,-3.898690396482953
Cc1cc(C)cc(/C=c2\s/c(=C(C#N)/C([O-])=N/c3ccccc3)n(C)c2=O)c1,C67366583_decoy,GCR,Decoy,0,-9.82349,-4.19,-3.23,-4.554376451443125
CC(C)[C@H](C(=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,C02591193_decoy,GCR,Decoy,0,-8.80988,-3.4,-0.56,-3.8843557719723503
O=C([O-])c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccccc3)C2=O)cc1,C04660184_decoy,GCR,Decoy,0,-5.245,-3.8,-3.21,-2.61705704720949
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,C00938090_decoy,GCR,Decoy,0,-8.67241,18.1,-0.63,3.1286540592228067
O=C([O-])c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br,C00827044_decoy,GCR,Decoy,0,-8.13438,-6.77,0.23,-6.858767470993209
CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,C00938058_decoy,GCR,Decoy,0,-8.78687,-4.92,-0.7,-4.1786982927953895
Cc1cc(C)c(C(=O)[O-])c(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1,C13022489_decoy,GCR,Decoy,0,-8.01798,-3.94,-1.44,-3.634481618620563
O=C([O-])c1cc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(Cl)cc1Cl,C13073524_decoy,GCR,Decoy,0,-9.84004,-4.25,-1.22,-4.529068161036602
Cc1ccc(OS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(Br)c1,C13074430_decoy,GCR,Decoy,0,-8.64614,-8.51,-0.87,-12.600548767331858
O=C([O-])/C=C/c1ccc(Sc2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1,C13192167_decoy,GCR,Decoy,0,-7.08871,-9.28,-2.0,-9.306608336850116
O=C([O-])Cn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O,C13222525_decoy,GCR,Decoy,0,-7.88232,-4.86,-3.04,-4.567578552941331
Cc1ccc(C(=O)[O-])c(OS(=O)(=O)c2ccc(Br)s2)c1,C13268044_decoy,GCR,Decoy,0,-9.21208,-3.75,-0.07,-4.179176123064381
O=C([O-])c1ccc(-n2ncc(Sc3ccccc3F)c(Cl)c2=O)cc1,C13275742_decoy,GCR,Decoy,0,-8.03986,-2.23,-1.06,-3.373747324412553
O=C([O-])c1csc(S(=O)(=O)Oc2ccc(Cl)cc2Br)c1,C13307732_decoy,GCR,Decoy,0,-9.84515,-6.15,-0.88,-7.054968213981813
O=C([O-])c1ccccc1SCc1cc(=O)n2c3c(sc2n1)CCCC3,C13367648_decoy,GCR,Decoy,0,-10.2517,-5.99,-1.7,-5.323894208305576
CCc1nnc([S-])n1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C,C05576558_decoy,GCR,Decoy,0,-10.2966,-8.39,-3.75,-9.363691565536136
Cc1ccccc1[N-]C1=NC(=O)/C(=C/c2cn(CCC#N)c3ccccc23)S1,C21193542_decoy,GCR,Decoy,0,-10.1525,-9.8,-4.35,-8.750781671140334
Cc1cccc(-c2nnc([S-])n2CC(=O)N2CCC[C@@H]2c2cccs2)c1,C22131834_decoy,GCR,Decoy,0,-10.4409,-4.21,-3.23,-4.921451568047759
O=c1sc2ccccc2n1Cc1nnc([S-])n1CCc1ccccc1,C06104367_decoy,GCR,Decoy,0,-9.24431,-8.09,-2.77,-10.109755242384312
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S,C27472553_decoy,GCR,Decoy,0,-9.93821,-4.0,-0.89,-4.482477507647009
O=C([C@@H](Sc1nc2ncc(Cl)cc2[n-]1)c1ccccc1)N1CCCC1,C06932654_decoy,GCR,Decoy,0,-9.24982,-5.58,-1.24,-5.347504638397533
[S-]c1nnc(COc2ccc(Br)cc2Cl)n1C[C@@H]1CCCO1,C17083045_decoy,GCR,Decoy,0,-8.57297,-7.1,-2.37,-6.383183353743236
O=S(=O)([N-]c1c(Cl)cc(Cl)cc1Cl)c1cnc(Cl)nc1,C35357801_decoy,GCR,Decoy,0,-9.22907,-7.35,-1.57,-10.655079781123623
Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn23)c(Br)c1,C37555477_decoy,GCR,Decoy,0,-10.0031,-6.99,-1.74,-9.284132314611515
C[C@@H](N(C)S(=O)(=O)c1cc(C(=O)[O-])sc1Br)C(C)(C)C,C37836516_decoy,GCR,Decoy,0,-9.2817,-6.94,-0.75,-11.786020546484409
Cc1cccc(-n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CCC4)c1,C04871846_decoy,GCR,Decoy,0,-9.91782,-5.05,-2.42,-4.906607775804596
COc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N=C3[O-])cc2c1,C17137741_decoy,GCR,Decoy,0,-7.00423,-4.27,-1.21,-3.5121366064382005
CCn1c([O-])c(C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c(C)c(C#N)c1=O,C38616120_decoy,GCR,Decoy,0,-9.23391,-8.91,-0.82,-8.578699067572202
Cc1ccc(N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])C[C@H]2C)cc1,C13320939_decoy,GCR,Decoy,0,-8.79739,-2.0,-0.5,-3.34268465193108
CC1(C)[C@H](C(=O)c2ccc3c(c2)CCCC3)[C@@H](C(=O)[O-])SC2=NC(=O)S[C@@H]21,C39361334_decoy,GCR,Decoy,0,-10.3624,-3.45,-3.65,-4.27268147926815
N#C[C@@H](C(=O)c1ccc(F)c(F)c1)c1nc([O-])c2c3c(sc2n1)CCCC3,C47362120_decoy,GCR,Decoy,0,-10.5574,-9.18,-1.46,-9.136394288927727
Cc1ccc(C(=O)[C@H](C#N)c2nc([O-])c3c4c(sc3n2)CCCC4)c(C)c1,C47362643_decoy,GCR,Decoy,0,-10.3326,-4.43,-3.42,-4.612002912600471
C[C@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc([O-])c2ccc(Cl)cc2n1,C48849360_decoy,GCR,Decoy,0,-7.90749,-4.0,-2.93,-3.8548915716966383
C[C@@H](Sc1ccccc1)C(=O)[C@H](C#N)c1nc([O-])c2ccc(Cl)cc2n1,C48849363_decoy,GCR,Decoy,0,-10.1057,-7.68,-1.75,-7.126691778884172
CC(C)Sc1ccc(C(=O)[C@@H](C#N)c2nc([O-])c3ccc(Cl)cc3n2)cc1,C48851730_decoy,GCR,Decoy,0,-9.87812,-4.82,-1.26,-4.7095707978076105
N#C/C(C(=O)N1CCCCC1)=C([O-])/C=C\C1=Cc2cc(Cl)ccc2OC1,C48983856_decoy,GCR,Decoy,0,-9.59109,-8.23,-3.6,-8.21359429818929
CC(C)c1c(C(=O)[O-])nnn1-c1cc(Br)ccc1Br,C49120996_decoy,GCR,Decoy,0,-8.45125,-7.95,-1.01,-9.144579518206475
Cc1ccc(C(=O)[C@H](C#N)c2nc([O-])c3c4c(sc3n2)CCCC4)cc1F,C50821542_decoy,GCR,Decoy,0,-10.1812,-3.89,-1.99,-4.454435901264819
Cc1ccc(/C([O-])=C(\C#N)C(=O)N2CCN(c3ccccc3F)CC2)s1,C50907139_decoy,GCR,Decoy,0,-9.39088,-8.99,-4.98,-9.064685486071312
CN(Cc1ccc(Cl)s1)/C([O-])=N/c1nnc(-c2ccsc2)s1,C52496875_decoy,GCR,Decoy,0,-10.3017,-7.81,-0.69,-13.913226677266747
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S,C54360604_decoy,GCR,Decoy,0,-9.00545,-7.46,-5.48,-7.328678493567511
O=C1OC(c2ccc(Br)s2)=N/C1=C\c1ccc(C(=O)[O-])cc1,C54425801_decoy,GCR,Decoy,0,-10.6672,-2.5,-4.31,-3.63317303403691
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ncc(Br)cc3[n-]2)cc1,C05919460_decoy,GCR,Decoy,0,-7.53478,-3.38,-3.94,-3.239955229311816
Cc1cc2occ(C/C([O-])=N/S(=O)(=O)c3ccc(Cl)s3)c2cc1C,C46928880_decoy,GCR,Decoy,0,-9.7808,-7.66,-2.11,-8.41632672154723
[S-]c1nnc([C@@H]2C=C(c3ccsc3)N=N2)n1-c1cccc2ccccc12,C09013368_decoy,GCR,Decoy,0,-10.0855,-5.14,-1.98,-4.742694683567888
CC1=C[C@@H](c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)N=N1,C64526022_decoy,GCR,Decoy,0,-8.96377,-3.16,-2.67,-3.999484616803178
CC1=C(C)[C@@H]([C@H]2CC(S(=O)(=O)[N-]c3ccc(C)cc3C)=C(C)S2)N=N1,C65137807_decoy,GCR,Decoy,0,-9.33471,-7.7,-1.19,-7.722860539427502
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(C)c(SCC#N)s1,C66253703_decoy,GCR,Decoy,0,-10.0359,-8.26,-2.01,-12.602470998706954
O=C1CCCc2nc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)sc21,C66255188_decoy,GCR,Decoy,0,-10.1545,-8.16,-3.28,-9.52175828830641
O=S(=O)(/C=C\c1ccccc1)/N=C(\[O-])Cn1ccc2ccc(Cl)cc21,C66504059_decoy,GCR,Decoy,0,-9.00177,-9.02,-2.18,-12.395080419378624
COc1ccc(S(=O)(=O)/N=C(\[O-])c2cc(Cl)sc2Cl)cc1C,C66887016_decoy,GCR,Decoy,0,-10.339,-8.47,-0.52,-7.5468050860444595
O=C(Nc1cc(Cl)ccc1C(=O)[O-])c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O,C02869773_decoy,GCR,Decoy,0,-11.0909,-3.59,-1.9,-4.53028163619103
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(C(=O)[O-])cc1,C02297338_decoy,GCR,Decoy,0,-9.6128,-9.18,-4.55,-7.350046317069527
Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1,C02181398_decoy,GCR,Decoy,0,-12.3621,-5.77,-4.81,-6.50007274286007
CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2,C09601895_decoy,GCR,Decoy,0,-6.76521,-3.72,-3.39,-3.274632189026753
Cc1cc(/C=N/Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(I)cc1,C12566207_decoy,GCR,Decoy,0,-10.5394,-6.26,-1.77,-5.877704734018107
Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccccc1,C13015503_decoy,GCR,Decoy,0,-9.47053,-4.77,-4.36,-5.012569149738096
CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nc2cc(C(=O)[O-])ccc2c1=O,C13044090_decoy,GCR,Decoy,0,-10.6398,-3.2,-2.49,-4.728371510472846
O=C([O-])c1ccc(O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c([N+](=O)[O-])c1,C13053955_decoy,GCR,Decoy,0,-5.79807,-3.34,-2.67,-2.869339846794322
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OC,C13076774_decoy,GCR,Decoy,0,-12.2552,-4.72,-3.65,-5.711962196568331
O=C([O-])c1cc2ccccc2cc1OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1,C13080416_decoy,GCR,Decoy,0,-8.72307,-2.05,-3.3,-3.5787433958996884
O=C([O-])c1ccccc1C(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1,C13179838_decoy,GCR,Decoy,0,-10.1701,-3.94,-2.02,-4.47257309364704
Cc1cc2oc(=O)cc(CSc3nnc(-c4cccs4)n3[C@@H](C(=O)[O-])C(C)C)c2cc1C(C)C,C13271685_decoy,GCR,Decoy,0,-9.79787,-4.09,-2.85,-4.953012312157007
CC(C)CCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)nc2cc(Cl)ccc2c1=O,C13342547_decoy,GCR,Decoy,0,-10.7701,-6.87,-2.25,-8.813121282910286
C/C(=N\Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc(OCC(=O)N2CCCCC2)cc1,C13342928_decoy,GCR,Decoy,0,-12.0576,-9.9,-3.07,-9.910538142038272
O=C([O-])c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21,C13601288_decoy,GCR,Decoy,0,-8.20799,-5.39,-3.56,-4.3772676151483445
O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1,C03989476_decoy,GCR,Decoy,0,-9.08908,-5.32,-3.17,-5.168233806224246
O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,C21305742_decoy,GCR,Decoy,0,-10.8927,-4.44,-1.65,-5.024353530027894
O=[N+]([O-])c1ccc(N/N=C/c2c(Cl)cccc2Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1,C09373160_decoy,GCR,Decoy,0,-9.32092,-4.71,-4.05,-4.847204574231408
O=C([O-])c1ccccc1/N=N/C(=N\Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1,C22017934_decoy,GCR,Decoy,0,-6.05097,-5.26,-5.23,-3.53517736407759
Cc1ccc2nc(Cl)c(/C=N/N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)[N-][C@@H]3c3ccccc3)cc2c1,C28617436_decoy,GCR,Decoy,0,-10.5205,-5.17,-2.27,-4.923862764126864
Cc1cc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])ccc1NC(=O)c1cc2ccccc2o1,C32114509_decoy,GCR,Decoy,0,-12.1012,-3.29,-1.64,-4.6411712976255926
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C33551045_decoy,GCR,Decoy,0,-11.2725,3.93,-4.68,-2.4483267266957487
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1,C33628426_decoy,GCR,Decoy,0,-5.99709,-3.55,-3.83,-2.9872404407234248
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(C)c2)N2C(/C=C(\[O-])NCCc3cccs3)=CSC2=N1,C34923333_decoy,GCR,Decoy,0,-10.4098,-3.18,-4.03,-4.655386604054
COc1cccc(N/C([O-])=C/C2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(C)cc4)N23)c1,C34923377_decoy,GCR,Decoy,0,-11.843,-2.18,-2.99,-4.529363809847871
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)N2C(/C=C(\[O-])NCc3ccccc3F)=CSC2=N1,C34923399_decoy,GCR,Decoy,0,-5.42801,-3.07,-2.22,-3.10716891590654
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)c1,C34954936_decoy,GCR,Decoy,0,-7.34836,-3.69,-3.38,-3.840512370957332
CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc([O-])c3ccccc3n2)cc1,C34983878_decoy,GCR,Decoy,0,-6.91775,-3.38,-5.33,-3.493298091834604
C#CCOc1c(Br)cc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC,C35656339_decoy,GCR,Decoy,0,-12.4412,-7.38,-3.18,-8.39786702614456
CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCc1ccccc1C#N,C35657078_decoy,GCR,Decoy,0,-10.175,-4.45,-2.33,-4.823220265627857
CCOc1c(Br)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC,C35657267_decoy,GCR,Decoy,0,-6.88941,-3.45,-2.74,-3.4385425392367264
Cc1ccc(C)c([C@@H]2C(C(=O)OC(C)C)=C(C(F)(F)F)N=C3SC=C(/C=C(\[O-])NC(C)C)N32)c1,C35705408_decoy,GCR,Decoy,0,-8.76216,-4.26,-3.54,-4.766307804743721
Cc1ccc(C)c([C@H]2C(C(=O)OC(C)C)=C(C(F)(F)F)N=C3SC=C(/C=C(\[O-])NC(C)C)N32)c1,C35705409_decoy,GCR,Decoy,0,-5.55228,-2.85,-2.59,-2.57078585326803
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N[C@@H]3CCCc4ccccc43)N2[C@H]1c1cccc(Cl)c1,C35970308_decoy,GCR,Decoy,0,-11.8421,-3.49,-4.93,-4.963452301270841
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(/C=C(\[O-])NC[C@@H]3CCCO3)=CSC2=N1,C36071778_decoy,GCR,Decoy,0,-12.4204,-2.76,-3.99,-5.295705979912072
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(/C=C(\[O-])NC[C@H]3CCCO3)=CSC2=N1,C36071780_decoy,GCR,Decoy,0,-11.7632,-3.08,-3.43,-5.107945159261969
O=C(NC1CCCCC1)[C@@H](C1CCCCC1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1,C36484279_decoy,GCR,Decoy,0,-9.59752,-5.25,-5.3,-5.288195157426363
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)/C(=N/Nc2ccc(C(=O)[O-])cc2)S1,C36633780_decoy,GCR,Decoy,0,-8.18898,-3.52,-3.1,-3.7182123753040672
CC(C)Cn1c(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nc2cc(C(=O)[O-])ccc2c1=O,C13048804_decoy,GCR,Decoy,0,-11.2396,-4.23,-2.19,-5.337087189277518
CC(C)Cn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2cc(C(=O)[O-])ccc2c1=O,C13049037_decoy,GCR,Decoy,0,-9.64845,-4.34,-2.84,-4.805884850216549
O=C(N[C@H](Cc1ccc2ccccc2c1Br)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320507_decoy,GCR,Decoy,0,-6.47201,-5.82,-3.42,-4.365149081279478
Cc1ccsc1-c1sc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1C,C44322773_decoy,GCR,Decoy,0,-8.06376,-7.33,-2.44,-3.964964740651244
O=[N+]([O-])c1ccc([O-])c(-c2nc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1,C44594874_decoy,GCR,Decoy,0,-7.39042,1.52,-5.7,-2.021833475597245
C=CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nc2cc(C(=O)[O-])ccc2c1=O,C13364900_decoy,GCR,Decoy,0,-6.36166,-3.88,-4.57,-3.5630886756783355
CCOCCCn1c([S-])nnc1-c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2,C02791695_decoy,GCR,Decoy,0,-11.4659,-2.79,-3.64,-4.924676748186805
Cc1ccc(CSc2nc([O-])c3c(n2)NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2ccccc2[N+](=O)[O-])cc1,C33810578_decoy,GCR,Decoy,0,-6.39828,-3.68,-2.41,-3.070571619397217
CCO/C([O-])=C1\C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S\C1=N/c1ccccc1,C55510314_decoy,GCR,Decoy,0,-7.78089,-1.84,-3.04,-3.263073667070696
CCO/C([O-])=C1\C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S\C1=N/c1ccc(OC)cc1,C59105342_decoy,GCR,Decoy,0,-7.39602,-6.46,-1.99,-4.763227857933683
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])cc1OC,C59860838_decoy,GCR,Decoy,0,-11.839,11.06,-3.89,-0.2858148475707138
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC([O-])=C32)cc1,C01142394_decoy,GCR,Decoy,0,-7.39125,-4.07,-3.45,-3.861407748540175
O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12,C00999583_decoy,GCR,Decoy,0,-9.37994,-3.39,-1.38,-3.689021453004686
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N3C[C@H]1CC=C[C@H]21,C04321224_decoy,GCR,Decoy,0,-11.3481,-2.25,-2.91,-3.74561979634301
O=C([O-])c1ccc(/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1,C04482590_decoy,GCR,Decoy,0,-9.07561,-3.59,-5.15,-3.978688216248828
O=C([O-])c1cc2c3c(c1)[C@H]1CC=C[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21,C08443285_decoy,GCR,Decoy,0,-10.9361,-1.91,-3.58,-3.4975002484399584
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)c1,C09310420_decoy,GCR,Decoy,0,-11.6908,3.33,-2.24,-2.7736857244282858
O=C([O-])c1sc(/C=C/c2ccc(F)c(Br)c2)nc1-c1ccccc1,C13026572_decoy,GCR,Decoy,0,-8.91091,-8.58,-1.52,-7.706761683994636
O=C([O-])c1ccc(Br)c(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)c1,C13076575_decoy,GCR,Decoy,0,-10.7385,-3.89,-2.27,-4.673011785544586
O=C([O-])c1cc(Cl)ccc1OS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C13262933_decoy,GCR,Decoy,0,-10.0076,-7.72,-0.84,-9.385225243098915
O=C([O-])c1cc(I)ccc1OS(=O)(=O)c1ccc2c(c1)CCCC2,C13267957_decoy,GCR,Decoy,0,-9.17828,-4.61,-1.72,-4.526822632185903
Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C(C)C)cc3)C2)c(=O)o1,C05612101_decoy,GCR,Decoy,0,-6.93832,-3.39,-1.93,-2.8735827860619088
O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccc(F)cc1,C09046911_decoy,GCR,Decoy,0,-8.87266,-3.33,-1.0,-3.622256208190686
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)sc2c1,C09008333_decoy,GCR,Decoy,0,-11.0146,1.56,-37.96,-3.1841849717814763
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1,C09186625_decoy,GCR,Decoy,0,-7.92769,43.93,-2.8,15.034912280556272
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1,C09273297_decoy,GCR,Decoy,0,-7.54504,-3.82,-4.92,-3.5418184654804707
CCc1ccc(-c2nc([S-])c3c(n2)Oc2ccc(Br)cc2C3)cc1,C06006966_decoy,GCR,Decoy,0,-10.4012,-3.93,-1.16,-4.051290808566924
[O-]c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(COc3ccccc3)nn12,C17028371_decoy,GCR,Decoy,0,-9.02435,-4.37,-2.89,-4.650790956378733
O=C([O-])Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1,C02955986_decoy,GCR,Decoy,0,-10.7844,3.66,-1.8,-2.372484094976433
[O-]c1nc(/C(Cl)=C/c2cc(Br)cs2)nc2cc(Cl)ccc12,C21191150_decoy,GCR,Decoy,0,-11.6239,-3.04,-0.98,-4.198263170732158
O=C([O-])c1cc(-c2ccc(Br)cc2)nc2cccc(Br)c12,C21806944_decoy,GCR,Decoy,0,-9.45592,-2.45,-1.56,-3.3979947344659123
O=C([O-])c1cc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(Br)cc12,C21962824_decoy,GCR,Decoy,0,-11.5267,-4.05,-1.9,-6.586747490223397
N#Cc1c([O-])nnc(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)c(Cl)c1,C17174823_decoy,GCR,Decoy,0,-9.95941,-4.36,-0.77,-4.022528965267056
O=C1C(/C(=N/c2ccccc2Br)c2ccccc2)=C([O-])c2ccccc21,C17129947_decoy,GCR,Decoy,0,-9.47482,-4.27,-2.53,-4.335928875589422
O=C(Oc1ccc(Br)cc1)c1cc(Br)cc(Br)c1[O-],C02169615_decoy,GCR,Decoy,0,-9.95733,-7.15,-0.9,-7.830165471546905
Cc1ccc(COc2ccc(/C=C3\SC(=S)N=C3[O-])cc2Br)cc1,C32670933_decoy,GCR,Decoy,0,-10.9721,-7.46,,99.0
Cc1ccc(-c2coc(-c3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc3)n2)cc1C,C33140398_decoy,GCR,Decoy,0,-12.0586,6.61,-1.32,-2.0059516668120283
Cc1cc(Cl)ccc1[N-]C1=NC(=O)/C(=C/c2ccc(Br)cc2)S1,C17299713_decoy,GCR,Decoy,0,-11.7259,-4.38,-0.71,-4.743676066446627
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3cccs3)sc2c1,C33634604_decoy,GCR,Decoy,0,-11.6687,-3.0,-2.31,-4.511390355674431
[O-]c1nc(/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(F)(F)F)n1,C05323129_decoy,GCR,Decoy,0,-9.47753,-4.13,-2.85,-4.205014079573267
O=C(C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1ccccc1F)c1ccccc1,C34919203_decoy,GCR,Decoy,0,-9.6777,-4.58,-3.46,-4.535211716189348
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccs2)c1,C34954942_decoy,GCR,Decoy,0,-9.53582,-3.23,-5.26,-3.872398214731775
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C([O-])=NC2=S)cc1,C00858024_decoy,GCR,Decoy,0,-9.12748,-4.44,-3.81,-4.540879858653873
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1,C08973625_decoy,GCR,Decoy,0,-9.57911,-4.02,-2.16,-4.378656987460462
Cc1cc(Br)c(-c2ccc(C(=O)[O-])n2C(C)C)c(Br)c1,C36917693_decoy,GCR,Decoy,0,-9.13762,-6.73,-0.56,-7.731132108012756
O=C([O-])/C=C/c1ccc(Br)cc1Oc1ccc(Br)cc1Cl,C36985420_decoy,GCR,Decoy,0,-9.65643,-5.28,-1.98,-6.70698464946757
Cc1ccccc1-c1nnc([S-])n1/N=C/c1ccc(-c2ccccc2Br)o1,C12485549_decoy,GCR,Decoy,0,-10.6404,-6.56,-1.45,-6.625711624497416
Cc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)N=C2[S-])c1,C39556888_decoy,GCR,Decoy,0,-10.7636,-4.51,-6.16,-4.743902531995588
Cc1ccc(/N=C2/N=C([O-])S/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1,C35484913_decoy,GCR,Decoy,0,-6.16456,-3.6,-3.77,-2.703012462236767
N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nc([O-])c2cc(Cl)ccc2n1,C39794880_decoy,GCR,Decoy,0,-10.7766,0.48,-2.52,-3.452832434016296
CC(C)c1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccccc3Cl)cs2)cc1,C40927244_decoy,GCR,Decoy,0,-12.0978,-4.62,-4.74,-5.572760642905919
O=C([O-])/C=C/c1cc(Cl)cc(Cl)c1OC(=O)c1ccc(Cl)c(Cl)c1,C44201300_decoy,GCR,Decoy,0,-10.155,-3.75,-4.23,-4.6014137436540405
O=C([O-])/C=C\c1cc(Br)c(-c2ccc(Br)cc2Br)o1,C45022050_decoy,GCR,Decoy,0,-8.927,-7.6,-0.96,-7.683619666785915
CC(C)(C)C(=O)/C=c1\nc([O-])/c(=C\c2ccc(-c3ccccc3Cl)s2)s1,C45866080_decoy,GCR,Decoy,0,-12.2098,-3.85,-1.31,-6.42026002489638
O=S(=O)(/N=C(\[O-])CSC(F)(F)F)c1cc(Br)ccc1Br,C48517901_decoy,GCR,Decoy,0,-8.2098,-6.96,-3.44,-7.116473408824996
Cc1ccc(Cl)c([N-]S(=O)(=O)c2sccc2Br)c1Cl,C49061015_decoy,GCR,Decoy,0,-8.94905,-7.22,-1.89,-7.840687456236418
O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1sccc1Br,C49061018_decoy,GCR,Decoy,0,-9.85661,-7.64,-1.49,-10.232622494326112
O=S(=O)([N-]c1c(Cl)cc(Br)cc1Cl)c1sccc1Br,C49061030_decoy,GCR,Decoy,0,-10.1068,-7.29,-2.5,-9.024098861797205
CSc1ccc(/C=C2\SC(/C=C(\[O-])c3ccc(C(C)(C)C)cc3)=NC2=O)cc1,C57435398_decoy,GCR,Decoy,0,-12.8482,-4.21,-0.91,-5.570073099150298
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C([O-])=NC(=S)N1c1ccccc1F,C59135836_decoy,GCR,Decoy,0,-8.75746,-4.98,-1.73,-3.853122090047535
Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N=C2[O-])cc1,C15055780_decoy,GCR,Decoy,0,-9.68569,-7.7,-3.98,-10.11745317304826
CC(=C\c1ccccc1)/C=C1/SC([N-]c2ccc(Br)cc2)=NC1=O,C27229184_decoy,GCR,Decoy,0,-9.38546,-4.19,-1.17,-4.162839922109079
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1,C00966964_decoy,GCR,Decoy,0,-10.1339,-3.89,-0.81,-4.281308915802606
O=C([O-])CSc1ccc(C(=O)/C=C/c2ccccc2F)cc1F,C13005733_decoy,GCR,Decoy,0,-8.98644,-3.43,-1.59,-4.375719760784868
C[C@H](Sc1ccccc1C(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C,C13189505_decoy,GCR,Decoy,0,-7.43484,-8.03,-1.68,-7.642050437082739
Cc1cc(C)c(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1C,C13264555_decoy,GCR,Decoy,0,-9.30916,-3.03,-2.74,-3.913098214118488
CSc1ccc(/C=C/C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1,C13390067_decoy,GCR,Decoy,0,-10.3218,-2.65,-1.28,-3.990834496475341
O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2c(s1)CCCCC2,C13449331_decoy,GCR,Decoy,0,-9.10564,-4.37,-0.29,-4.302904665874521
O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1ccc2c(c1)CCCC2,C13449413_decoy,GCR,Decoy,0,-9.32205,-5.49,-0.51,-5.138052365127046
O=C([O-])c1cc(-c2cccs2)nc2cc(Br)ccc12,C20284614_decoy,GCR,Decoy,0,-9.03315,-7.28,-1.16,-6.922052345177123
Cc1cc(Br)c(-n2ccc(C(=O)[O-])n2)c(Br)c1,C20504249_decoy,GCR,Decoy,0,-8.89538,-7.37,-0.55,-6.425390574416885
CCc1nnc([S-])n1-c1ccccc1I,C20589835_decoy,GCR,Decoy,0,-7.11375,-6.36,-1.22,-7.062130965617715
O=C([O-])c1cc(-c2cccs2)n(-c2ccc(Cl)cc2Cl)n1,C21504238_decoy,GCR,Decoy,0,-9.20328,-7.66,-1.75,-12.946243074062822
C[C@@H](Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(=O)[O-],C21953910_decoy,GCR,Decoy,0,-8.77748,-6.76,-3.19,-9.850644025254695
O=C([O-])C/C(=C/c1ccc(Br)s1)c1nc2ccccc2s1,C23163053_decoy,GCR,Decoy,0,-8.8967,7.48,-2.3,-0.4219012907855093
Fc1cccc(-c2nnc([S-])n2-c2cccc3ncccc23)c1F,C12324725_decoy,GCR,Decoy,0,-7.95664,-3.72,-1.87,-3.3634184764733583
O=C([O-])c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1,C36929553_decoy,GCR,Decoy,0,-8.70907,10.34,-0.68,0.5196523674462326
[O-]c1cnc2cc(I)cc(Cc3ccccc3)n12,C39463366_decoy,GCR,Decoy,0,-8.22702,-7.55,0.33,-11.259085675143435
CCCCN1CCCc2cc(/C=C3\SC(=S)N=C3[O-])ccc21,C40113790_decoy,GCR,Decoy,0,-10.371,-8.53,-0.89,-11.334069949266285
Cc1cc(Br)ccc1-c1ccc(CC(=S)C(=O)[O-])o1,C40174181_decoy,GCR,Decoy,0,-8.14388,-2.7,-1.18,-3.7215994439875297
[O-]c1nc2ccc([C@@H](Cl)c3cc(F)cc(Br)c3)cc2o1,C40273646_decoy,GCR,Decoy,0,-8.55287,-8.32,-0.71,-10.20205759932231
CC(C)(C)[C@@H]1CCCC[C@@]1(C(=O)[O-])n1cc(Br)ccc1=O,C41896628_decoy,GCR,Decoy,0,-7.61075,-3.22,-2.28,-3.230760828275258
O=C([O-])[C@@]1(Oc2c(Br)cccc2Br)CCSC1,C41950495_decoy,GCR,Decoy,0,-8.03683,-3.19,-2.76,-3.59506783732806
C[C@](Oc1ccc(I)cc1)(C(=O)[O-])C1CC1,C41957041_decoy,GCR,Decoy,0,-7.53461,-6.42,-3.51,-7.215049004741061
Cc1cc(Br)cc(Cl)c1OC1(C(=O)[O-])CCSCC1,C41959180_decoy,GCR,Decoy,0,-9.10713,-6.91,-1.15,-8.056552898185704
C[C@](Sc1cccs1)(C(=O)[O-])c1ccc(OC(F)F)cc1,C41980771_decoy,GCR,Decoy,0,-7.66723,-6.55,-2.51,-7.274938125606152
CCCS[C@](C)(C(=O)[O-])c1cc2cc(Br)ccc2o1,C41981567_decoy,GCR,Decoy,0,-7.68877,-4.86,-4.69,-5.192473062051915
Cc1cc(C)c(C(=O)[O-])c(SCc2ccc(Br)o2)n1,C42137174_decoy,GCR,Decoy,0,-7.77144,-4.92,-2.39,-4.291807830891136
[S-]c1nnc(C2CC2)n1-c1cc(Br)ccc1Br,C42581257_decoy,GCR,Decoy,0,-9.55939,-6.35,-2.57,-8.650943308340176
Cc1ccc(C)c(S(=O)(=O)/N=C(\[O-])c2sccc2Br)c1,C48472198_decoy,GCR,Decoy,0,-8.74137,-4.98,-2.0,-4.670857092445606
O=S(=O)(/N=C(\[O-])c1ccc(Cl)s1)c1ccccc1Br,C48519581_decoy,GCR,Decoy,0,-8.60989,-7.68,-2.13,-7.819653211227455
N#C/C(C(=O)c1cc(F)cc(Br)c1)=C(/[O-])c1ccsc1,C48530028_decoy,GCR,Decoy,0,-9.15708,-3.45,-0.7,-4.034681365341185
CC[C@H]1CO[C@H](C)CN1c1cc(Br)ccc1/C=C/C(=O)[O-],C48916205_decoy,GCR,Decoy,0,-8.4827,-6.47,-1.52,-7.455613735818464
CCc1ccsc1/C([O-])=N/S(=O)(=O)c1ccc(Cl)cc1,C49003780_decoy,GCR,Decoy,0,-8.75638,-7.31,-2.43,-7.394024360478622
N#C/C(C(=O)N1CCCC1)=C(/[O-])c1ccc(Br)c(F)c1,C49417001_decoy,GCR,Decoy,0,-9.08171,-7.05,-0.65,-6.704764468206104
O=C([O-])c1cn(-c2ccccc2Br)nc1-c1ccsc1,C50339496_decoy,GCR,Decoy,0,-9.36382,-8.4,-1.45,-8.644566695956387
Cc1sc2nc(/C(C#N)=C\C=C\c3ccccc3)nc([O-])c2c1C,C57547805_decoy,GCR,Decoy,0,-7.87378,-8.62,-1.42,-5.5659133128606415
CCc1ccc(/C=C(/C#N)c2nc([O-])c3c(C)c(C)sc3n2)cc1,C57547950_decoy,GCR,Decoy,0,-9.99887,-3.13,-1.09,-3.860073127084278
O=C([O-])c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1,C58871879_decoy,GCR,Decoy,0,-9.50343,-4.78,-1.48,-4.29236999492398
[O-]C1=NC(=S)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1,C59266519_decoy,GCR,Decoy,0,-9.11044,-8.27,-4.73,-6.833675873278303
Clc1ccc2c(c1)[N-]C(c1ccncc1)=NC(c1cccs1)=N2,C06743689_decoy,GCR,Decoy,0,-9.18185,-4.34,-3.36,-3.974663643919544
O=C([O-])[C@@]1(Oc2ccc(Cl)cc2Br)CCCSC1,C61589048_decoy,GCR,Decoy,0,-8.44131,-3.52,-1.72,-3.468200603926679
O=C([O-])CSc1nccn1-c1cc(Br)ccc1Cl,C61691975_decoy,GCR,Decoy,0,-8.54623,-3.27,-1.28,-3.5933660824832403
O=C([O-])C(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)=C1SCCCS1,C62716095_decoy,GCR,Decoy,0,-8.00773,-3.83,-4.07,-3.8297704593933566
O=C([O-])[C@H]1CCCC[C@H]1Oc1ccc(Br)cc1Cl,C62762155_decoy,GCR,Decoy,0,-8.05105,-2.17,-1.93,-2.87965363777612
O=C([O-])[C@H]1CCCC[C@@H]1Oc1ccc(Br)cc1Cl,C62762156_decoy,GCR,Decoy,0,-8.34711,-2.77,-3.85,-3.3733454666927747
Cc1cc(Br)ccc1Oc1ccc(Cl)c(C(=O)[O-])n1,C63061846_decoy,GCR,Decoy,0,-8.32609,-7.25,-2.16,-6.178972190420785
Cc1ccc(OCc2nc(/C=C3\SC(=S)N=C3[O-])cs2)cc1,C63275046_decoy,GCR,Decoy,0,-10.716,-8.31,-0.74,-7.364026634711718
Cn1cccc1/C=C1/SC([N-]c2ccc3ccccc3c2)=NC1=O,C05520421_decoy,GCR,Decoy,0,-8.84848,-2.64,-1.91,-3.22253848050878
CCc1ccc(Cn2c([O-])c3sc4ncccc4c3nc2=S)cc1,C15828836_decoy,GCR,Decoy,0,-9.38821,-4.92,-2.87,-4.654289245636599
O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1[O-],C15828975_decoy,GCR,Decoy,0,-8.2543,6.39,-0.76,-0.5583102294942137
O=S(=O)(/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)s1,C66503852_decoy,GCR,Decoy,0,-7.96911,-3.31,-0.28,-3.776829839715014
CC1(C)O[C@@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-],C03845887_decoy,GCR,Decoy,0,-10.6297,-3.7,-0.94,-4.875851329461556
O=C([O-])c1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1,C03084224_decoy,GCR,Decoy,0,-9.68681,-6.79,-3.96,-5.951258248520756
O=C([O-])COc1c(Cl)cc(/N=C/c2ccc(N3CCC4(CCCCC4)CC3)cc2)cc1Cl,C01723390_decoy,GCR,Decoy,0,-13.4263,-4.4,-1.92,-5.3200990714375855
COc1ccc(Cn2cc([C@H](CC(=O)[O-])c3ccccc3Cl)c3ccccc32)cc1,C05066269_decoy,GCR,Decoy,0,-9.45088,-5.75,-2.01,-5.587109726394682
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S,C08821354_decoy,GCR,Decoy,0,-10.2535,-8.95,-2.82,-11.311675631556
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S,C08821355_decoy,GCR,Decoy,0,-10.934,-9.23,-1.74,-12.081857307981917
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S,C08821371_decoy,GCR,Decoy,0,-12.0789,-4.29,-4.38,-5.6020396844801255
O=C([O-])/C(=C\c1ccc(C(F)(F)F)cc1)Sc1nnc(-c2ccccc2Cl)o1,C03378097_decoy,GCR,Decoy,0,-9.21066,-3.66,-3.22,-4.304335237155149
Cc1cc(C)c(C(=O)[O-])c(SCCOc2ccc(Cl)cc2Br)n1,C13023152_decoy,GCR,Decoy,0,-9.69305,-6.88,-1.63,-8.520623452041088
O=C([O-])c1cccc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1,C13061350_decoy,GCR,Decoy,0,-9.81162,-5.25,-0.97,-5.229617915288585
O=C([O-])c1ccc(CSCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1,C13206449_decoy,GCR,Decoy,0,-8.83925,-4.97,-1.88,-4.702683893573968
C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nc2scc(-c3cccs3)c2c1=O,C13237061_decoy,GCR,Decoy,0,-12.8078,-4.43,-2.1,-5.728669682324393
CCc1ccccc1-n1c(SCc2ccc(C(=O)[O-])cc2)nc2ccccc2c1=O,C13238261_decoy,GCR,Decoy,0,-7.723,-3.07,-3.56,-3.3595351041379105
CCCn1c(SCc2c(C(=O)[O-])sc3cccc(F)c23)nnc1-c1ccc(Cl)cc1,C13254842_decoy,GCR,Decoy,0,-9.75274,-4.47,-5.09,-4.642834528063819
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1CC(=O)[O-])c1ccccc1Cl,C13280688_decoy,GCR,Decoy,0,-9.42232,-3.49,-1.01,-4.478506741777923
O=C([O-])CC/C(=C\c1cc(Br)ccc1OC(F)F)c1nc2ccccc2s1,C13350958_decoy,GCR,Decoy,0,-9.81533,-7.0,-4.76,-12.282063647456916
O=C([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1,C13354730_decoy,GCR,Decoy,0,-10.5375,-4.97,-3.64,-5.126785364772317
O=C([O-])c1ccc(/C=C/c2nc(-c3cc(Cl)cc(Cl)c3OC(F)F)cs2)cc1,C13366016_decoy,GCR,Decoy,0,-9.85759,-4.61,-4.2,-4.947280929415364
O=C([O-])c1sc2cccc(F)c2c1CSc1nc2ccccc2c(=O)n1Cc1ccccc1,C13413132_decoy,GCR,Decoy,0,-7.99006,-3.47,-3.49,-4.045597775323498
CC(C)Cn1c(SCc2c(C(=O)[O-])sc3cccc(F)c23)nc2ccccc2c1=O,C13413790_decoy,GCR,Decoy,0,-8.89397,-4.6,-4.07,-4.7022711737775005
CC[C@@H](C)c1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](CC)C(=O)[O-])cc3)SC2=S)cc1,C16907620_decoy,GCR,Decoy,0,-10.3983,12.77,-3.84,1.1341861816700394
CCCCCOc1ccc(/C=N/n2c([S-])nnc2-c2ccccc2Br)cc1,C19833865_decoy,GCR,Decoy,0,-10.9436,-3.86,-2.12,-5.078450301283545
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)c1,C33697724_decoy,GCR,Decoy,0,-9.72129,-3.42,-3.24,-4.385226240711912
O=C([O-])c1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccccc4Cl)o3)o2)cc1,C35517463_decoy,GCR,Decoy,0,-11.0355,15.27,-1.16,1.5381806123753965
O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1,C35683393_decoy,GCR,Decoy,0,-6.87699,3.95,-2.71,-0.95228876800132
CC1(C)O[C@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-],C39738139_decoy,GCR,Decoy,0,-9.90412,-8.42,-1.66,-9.100593901707931
CC1(C)O[C@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-],C39738140_decoy,GCR,Decoy,0,-9.99685,-9.36,-2.57,-12.384977858782069
N#CC(=C\c1cccc2ccccc12)/C([O-])=N/c1nnc(SCc2ccccc2Cl)s1,C39997293_decoy,GCR,Decoy,0,-9.83018,-5.08,-2.42,-6.300630409505911
Cc1ccc(CSc2nnc(/N=C([O-])/C(C#N)=C/c3ccc(C(C)C)cc3)s2)cc1,C39997479_decoy,GCR,Decoy,0,-11.4632,6.63,-4.14,-1.811704907882716
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1OCCCC,C40026104_decoy,GCR,Decoy,0,-8.93456,-4.52,-1.19,-5.255682845688646
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1,C40078219_decoy,GCR,Decoy,0,-10.4289,-3.46,-2.64,-5.009488789051585
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1,C40079473_decoy,GCR,Decoy,0,-10.5158,32.17,-3.26,9.884075855961337
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1,C40079474_decoy,GCR,Decoy,0,-10.0602,-3.2,-4.82,-4.754148210826223
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1c(F)cccc1Cl,C40085048_decoy,GCR,Decoy,0,-10.1745,-7.68,-2.83,-9.054443224638174
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1/C=C/c1ccccc1,C40085064_decoy,GCR,Decoy,0,-11.5393,2.92,-4.37,-3.176736507381073
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1c(Cl)cccc1Cl,C40091871_decoy,GCR,Decoy,0,-10.7434,-2.98,-3.54,-4.961970490172622
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(Cl)cc2)cc1C,C40092917_decoy,GCR,Decoy,0,-11.1932,-5.11,,99.0
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(CC)cc1,C40094168_decoy,GCR,Decoy,0,-11.1258,-4.45,-4.61,-6.03091815977698
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(Br)cc2)c1,C40102357_decoy,GCR,Decoy,0,-10.6084,-6.64,-4.1,-9.76930734306124
CCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccccc3Cl)cs2)cc1,C40927365_decoy,GCR,Decoy,0,-12.2608,13.84,-2.14,0.5909557497004764
CCCOc1ccccc1/C=C(C#N)/C([O-])=N/c1nc(-c2ccc(Br)cc2)cs1,C40948929_decoy,GCR,Decoy,0,-12.4927,-4.76,-0.83,-6.923117730341409
CCc1sc(/N=C([O-])/C(C#N)=C/c2ccc(OC)cc2)nc1-c1ccc(Br)cc1,C41013113_decoy,GCR,Decoy,0,-9.61222,-1.46,-1.3,-3.5772629847313664
C/C(=C\CC[C@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)[O-],C43510427_decoy,GCR,Decoy,0,-11.7815,-3.69,-2.42,-5.207278986812324
COc1cc(/C=C2\SC(/C=C(\[O-])c3ccc(C(C)(C)C)cc3)=NC2=O)ccc1OC(F)F,C23715950_decoy,GCR,Decoy,0,-11.9076,-4.74,-2.63,-5.758886545980533
CCOC(=O)C1=C([O-])/C(=C/c2ccc(OCC)cc2)S/C1=N\c1ccc(Cl)cc1,C35103910_decoy,GCR,Decoy,0,-6.45983,29.46,-2.09,9.522076392489938
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1/N=C/C1=C([O-])CC(C)(C)CC1=O,C18272343_decoy,GCR,Decoy,0,-10.5917,-2.34,-1.84,-4.274889213617823
CC(C)COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1Br,C66143621_decoy,GCR,Decoy,0,-9.95724,-7.63,-1.54,-7.812823283971534
CC(C)COc1ccc(Br)cc1C(=O)Oc1ccc(C(=O)[O-])cc1Br,C66145184_decoy,GCR,Decoy,0,-10.4095,-8.17,-1.39,-9.25983602618407
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])cc1Br,C66145576_decoy,GCR,Decoy,0,-10.1268,-7.67,-1.31,-8.82009213300451
CC(C)COc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])cc1Br,C66145588_decoy,GCR,Decoy,0,-10.3481,-7.95,-1.45,-11.732517562509427
O=C([O-])C[C@@H]1Sc2nnc(-c3cccc(Cl)c3)n2N=C1c1ccc(Cl)cc1,C13182726_decoy,GCR,Decoy,0,-10.2544,-2.26,-4.11,-3.799049722099516
O=C([O-])c1cc(I)ccc1OS(=O)(=O)c1ccc(F)c(F)c1F,C13263263_decoy,GCR,Decoy,0,-8.11933,-7.61,-3.0,-6.716167328762266
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1/N=C/c1ccccc1C(=O)[O-],C13343732_decoy,GCR,Decoy,0,-10.1199,-4.04,-0.76,-4.925849742414823
Cc1ccccc1-n1c(S[C@H](C)C(=O)[O-])nc2sc3c(c2c1=O)CC(C)(C)OC3,C02355614_decoy,GCR,Decoy,0,-4.41489,-3.56,-2.29,-2.3364584391483727
CC[C@H](Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2Br)C1=O)C(=O)[O-],C16910785_decoy,GCR,Decoy,0,-9.52854,-8.67,-2.71,-8.577524736929119
O=C1N=C([O-])/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1F,C08971380_decoy,GCR,Decoy,0,-9.60095,-10.21,-2.87,-8.657888790557012
O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C([O-])=NC(=S)N1c1ccc(Cl)cc1,C08742792_decoy,GCR,Decoy,0,-12.7282,-4.25,-0.84,-5.12164625518695
CC(=O)/C(=C(/C)[O-])[C@@H]1c2cc(Br)ccc2O[C@H](C(Cl)(Cl)Cl)[C@H]1[N+](=O)[O-],C12362087_decoy,GCR,Decoy,0,-10.5703,-4.44,-0.72,-5.294861416342034
Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(=O)n12,C21883996_decoy,GCR,Decoy,0,-10.3378,-3.46,-0.97,-4.328764142162941
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2Cl)C3=O)cc1,C03097056_decoy,GCR,Decoy,0,-11.011,-3.44,-1.74,-4.343142994034836
O=C(C[C@H]1CC([O-])=C(C(=O)c2ccc(Br)cc2)C1=O)c1ccc(Br)cc1,C05763036_decoy,GCR,Decoy,0,-9.64851,-9.27,-1.04,-12.598560669542472
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2cccnc2)c1,C34955397_decoy,GCR,Decoy,0,-10.2168,-3.18,-4.86,-4.0062602442445785
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc([O-])c3ccccc3n2)c(C)c1,C34983881_decoy,GCR,Decoy,0,-6.8758,-4.27,-3.88,-3.605538323078087
CCOc1ccc(-n2c(-c3sc4ncccc4c3[O-])nc3ccccc3c2=O)cc1,C06585790_decoy,GCR,Decoy,0,-7.20774,-3.39,-4.34,-3.169887444557312
Cc1ccc(N2C(=O)N=C([O-])/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1,C02214176_decoy,GCR,Decoy,0,-10.5235,-3.46,-5.01,-4.39338069289802
O=S(=O)([N-]c1ncc(Br)s1)c1c(Cl)cc(Br)cc1Cl,C37437360_decoy,GCR,Decoy,0,-10.7439,-7.64,-1.42,-8.398820286194486
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1,C00796056_decoy,GCR,Decoy,0,-10.0027,-4.39,-1.94,-4.905620298812726
C=CCn1c([O-])c(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(C)c(C#N)c1=O,C38616883_decoy,GCR,Decoy,0,-11.7243,-3.62,-1.16,-4.819703425652814
C=CCn1c([O-])c(C(=O)c2oc3ccc(Br)cc3c2C)c(C)c(C#N)c1=O,C38616962_decoy,GCR,Decoy,0,-10.0602,-5.35,-2.83,-4.659090717242047
Cc1cc2oc(C(=O)c3c(C)c(C#N)c(=O)n([C@@H](C)c4ccccc4)c3[O-])c(C)c2cc1C,C38623425_decoy,GCR,Decoy,0,-8.35425,-4.4,-4.3,-4.032122648081521
Cc1ccc(C2=C3[C@H](N=N2)C(=O)N(c2ccc(C(=O)[O-])cc2)[C@H]3c2ccccc2Cl)cc1,C39242956_decoy,GCR,Decoy,0,-10.1781,-2.54,-1.96,-3.73162401744803
Cc1cccc2c(C(=O)[O-])cc(-c3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@@H]5C4)cc3)nc12,C09445871_decoy,GCR,Decoy,0,-10.5781,-6.24,-5.42,-4.947852840814213
Cc1c(C(=O)[O-])sc2c1=C(CSc1ncnc3sc4c(c13)CCCC4)CC(=O)N=2,C39691571_decoy,GCR,Decoy,0,-11.4441,-5.87,-4.44,-5.94770619469627
Cc1cccc(-c2nnc([S-])n2CC(=O)N2CCN(c3cccc(C)c3C)CC2)c1,C12556131_decoy,GCR,Decoy,0,-8.95805,-3.27,-3.68,-3.777012368254877
O=C([O-])C1(Oc2c(Br)cc([N+](=O)[O-])cc2Br)CCCCC1,C41958924_decoy,GCR,Decoy,0,-8.35258,-6.96,-0.26,-11.409940988387614
O=S(=O)(/N=C(\[O-])c1cc(Br)c(Br)s1)c1ccccc1Cl,C48518941_decoy,GCR,Decoy,0,-10.3136,-5.13,-2.54,-7.303881441296362
O=[N+]([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)s1,C48798381_decoy,GCR,Decoy,0,-9.03717,-6.99,-0.79,-6.962936222265445
O=C1N=C([O-])/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Br)cc1,C13809873_decoy,GCR,Decoy,0,-10.8554,-3.96,-2.77,-4.275412889512755
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2[O-])c(C)n1C1CCCCC1,C13549148_decoy,GCR,Decoy,0,-10.233,-2.59,-5.54,-3.828563903337247
O=C1N=C([O-])/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1,C13551079_decoy,GCR,Decoy,0,-10.2532,-4.73,-5.19,-4.448011868708337
Cc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2[O-])o1,C58832939_decoy,GCR,Decoy,0,-11.8455,-3.15,-1.99,-4.193011881967255
CCc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2[O-])o1,C58833539_decoy,GCR,Decoy,0,-9.63122,-3.92,-3.01,-4.466892086010082
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1,C59105568_decoy,GCR,Decoy,0,-11.2161,-4.04,-1.87,-4.82604493806839
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3[O-])c2C)c1,C59109535_decoy,GCR,Decoy,0,-10.7058,1.08,-2.04,-2.9773285471072697
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2[O-])c(C)n1-c1ccc(Br)cc1,C59109539_decoy,GCR,Decoy,0,-10.7182,-3.96,-3.29,-4.533285651331324
CCN1C(=O)N=C([O-])/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O,C05947735_decoy,GCR,Decoy,0,-11.9025,-9.96,-2.98,-9.312979106178084
N#Cc1ccccc1Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])c2ccccc21,C59135960_decoy,GCR,Decoy,0,-8.80905,-3.13,-3.11,-3.6862021454756735
COc1cc(C)c(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2[O-])cc1C(C)C,C59198177_decoy,GCR,Decoy,0,-10.6129,-3.36,-3.78,-4.3026709534389775
C=CCn1c(C)c(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2[O-])c2ccccc21,C59198561_decoy,GCR,Decoy,0,-12.2988,-3.57,-4.15,-4.942045914040187
C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2[O-])cc1CC=C,C59198616_decoy,GCR,Decoy,0,-12.3309,-3.4,-2.52,-4.950200084229466
Cc1cccc(N2C(=O)N=C([O-])C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c1C,C59250026_decoy,GCR,Decoy,0,-9.51882,-5.71,-5.25,-4.587972424800237
CCc1ccccc1N1C(=O)N=C([O-])/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O,C59303021_decoy,GCR,Decoy,0,-9.90897,-10.14,-1.52,-8.780637870839602
Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=O)N=C3[O-])o2)ccc1Br,C59862933_decoy,GCR,Decoy,0,-9.51506,-7.29,-0.85,-6.713499257537972
O=C1N=C([O-])/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1,C17197709_decoy,GCR,Decoy,0,-5.48246,-4.53,-3.79,-2.7982997875974585
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1,C17162104_decoy,GCR,Decoy,0,-9.34622,-3.93,-3.05,-4.083072896844458
O=C([O-])C1=CC(c2ccc(Br)cc2)=NC2=NN=C(c3ccc(Br)cc3)[C@H]12,C20492119_decoy,GCR,Decoy,0,-9.88283,-3.41,-2.37,-4.138644582091603
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)N=C2[O-])cc1Cl,C17197157_decoy,GCR,Decoy,0,-11.7847,-3.89,-4.15,-4.617132827081889
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1,C08770884_decoy,GCR,Decoy,0,-10.7097,-4.46,-0.96,-4.404278173011318
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)N=C([O-])N(c4ccc(Cl)cc4)C3=O)c2C)c1,C02308879_decoy,GCR,Decoy,0,-10.3103,-2.98,-5.35,-4.040132184230724
O=C1N=C([O-])N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1,C02238335_decoy,GCR,Decoy,0,-10.3059,-9.31,-0.42,-9.216200383117034