SMILES,Molecule Name,Target Name,Type,label,LF_score,GN_score,DD_score, RMSD_Energy
CO[C@H]1C[C@H](C)Cc2cc(ccc2O)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O,CHEMBL512489_active,HS90A,Active,1.0,-9.80652,-4.24,-2.94,-5.498263528088796
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,CHEMBL467399_active,HS90A,Active,1.0,-8.28282,-7.65,-0.19,-7.765276377725194
CO[C@H]1/C=C\C=C(/C)C(=O)Nc2ccc(O)c(c2)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O,CHEMBL511439_active,HS90A,Active,1.0,-10.4372,-5.03,-2.04,-6.639110676574687
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,CHEMBL453386_active,HS90A,Active,1.0,-8.68647,-5.55,-1.06,-3.373052152242367
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,CHEMBL109480_active,HS90A,Active,1.0,-10.3638,-4.38,-2.25,-6.559179989162828
CO[C@H]1C[C@H](C)Cc2cccc(c2)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O,CHEMBL469932_active,HS90A,Active,1.0,-9.17827,-3.7,-1.43,-4.974404202096621
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,CHEMBL339231_active,HS90A,Active,1.0,-9.28402,-4.37,-1.35,-5.446111110129139
CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,CHEMBL517583_active,HS90A,Active,1.0,-9.57133,-7.14,0.53,-10.028139137681674
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,CHEMBL252164_active,HS90A,Active,1.0,-11.247,-8.19,0.12,-11.021505607083272
CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(N)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O,CHEMBL209356_active,HS90A,Active,1.0,-10.1951,-4.47,-4.04,-6.003486168084574
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,CHEMBL454733_active,HS90A,Active,1.0,-8.60311,-7.18,-0.88,-9.440319264034123
C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2,CHEMBL377559_active,HS90A,Active,1.0,-9.4175,-3.98,-3.72,-5.951332635150556
Cc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,CHEMBL457042_active,HS90A,Active,1.0,-8.314,-7.45,0.84,-6.5394661249779205
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)/C=C/C=C(/C)C(=O)NC(=CC1=O)C2=O,CHEMBL378352_active,HS90A,Active,1.0,-10.6988,-3.99,-3.26,-6.268151035783026
C#CCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21,CHEMBL365159_active,HS90A,Active,1.0,-10.1242,-7.98,-0.32,-9.522669124508788
COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,CHEMBL278315_active,HS90A,Active,1.0,-8.49822,-4.71,-1.83,-5.290669901318018
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL365617_active,HS90A,Active,1.0,-9.21236,-8.23,0.73,-17.891588635310274
CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc21)OCC,CHEMBL212133_active,HS90A,Active,1.0,-9.76654,-6.72,-1.05,-8.617824132391346
C#CCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc21,CHEMBL191635_active,HS90A,Active,1.0,-9.34562,-8.07,0.08,-8.33044086814028
CCOP(=O)(CCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21)OCC,CHEMBL212850_active,HS90A,Active,1.0,-9.77279,-7.38,-1.33,-12.618242527542142
CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21)OCC,CHEMBL377371_active,HS90A,Active,1.0,-9.7963,-8.34,-2.26,-14.394050075214777
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl,CHEMBL404630_active,HS90A,Active,1.0,-9.72065,-7.07,-0.03,-6.052769346030761
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1OC,CHEMBL515048_active,HS90A,Active,1.0,-9.67261,-5.06,-0.39,-6.402244540468428
CC(C)(C)CNCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL215657_active,HS90A,Active,1.0,-10.1202,-8.67,-0.09,-10.350316231160912
CNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL424811_active,HS90A,Active,1.0,-9.07813,-8.77,0.81,-10.14812628426291
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br,CHEMBL254875_active,HS90A,Active,1.0,-9.95683,-6.34,-0.04,-6.733123716506933
CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1,CHEMBL514748_active,HS90A,Active,1.0,-6.9217,-8.87,0.4,-5.306975783385392
CO[C@H]1C[C@H](C)Cc2cc(cc(Cl)c2O)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O,CHEMBL511618_active,HS90A,Active,1.0,-9.5292,-4.36,-3.01,-5.624116488029515
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(N)=O)cc1,CHEMBL366215_active,HS90A,Active,1.0,-9.50288,-8.89,0.44,-10.066763812176422
CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21,CHEMBL200102_active,HS90A,Active,1.0,-11.2688,-8.18,0.04,-10.63934901081155
Oc1ccc2c(-c3cc(Cl)c(O)cc3O)noc2c1,CHEMBL362307_active,HS90A,Active,1.0,-7.76641,-8.8,0.23,-4.483161159559495
COc1ccc(-c2c(C)n[nH]c2-c2cc(Br)c(O)cc2O)cc1,CHEMBL364968_active,HS90A,Active,1.0,-9.2085,-7.85,0.22,-9.825873402538006
CCNC(=O)c1[nH]nc(-c2cc(Br)c(O)cc2O)c1-c1ccc(OC)cc1,CHEMBL190182_active,HS90A,Active,1.0,-9.46712,-7.57,0.58,-18.56938602100768
C#CCCCn1c(Sc2cc(OC)ccc2Br)nc2c(N)ncnc21,CHEMBL192145_active,HS90A,Active,1.0,-9.33772,-8.06,-1.06,-8.352323794671117
C#CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21,CHEMBL193282_active,HS90A,Active,1.0,-10.7594,-7.37,-0.33,-8.589314244531119
CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL212076_active,HS90A,Active,1.0,-10.4711,-8.73,-0.36,-18.12328942647263
N#CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL385927_active,HS90A,Active,1.0,-9.95243,-8.76,-0.67,-11.64041053575253
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,CHEMBL338987_active,HS90A,Active,1.0,-9.16702,-5.81,-2.45,-7.6388153995275
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCNC1CC1,CHEMBL215947_active,HS90A,Active,1.0,-10.5942,-8.71,-0.03,-11.49116429438922
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)NC(C)C)cc1,CHEMBL365700_active,HS90A,Active,1.0,-9.30403,-7.78,0.62,-16.441207588821733
CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL377631_active,HS90A,Active,1.0,-11.9382,-7.91,-1.74,-9.363366195407355
CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL384763_active,HS90A,Active,1.0,-10.7769,-8.7,-1.3,-13.391188166315718
CCc1cc(-c2[nH]nc(C)c2-c2cccc3c2OCCO3)c(O)cc1O,CHEMBL204734_active,HS90A,Active,1.0,-8.67979,-5.52,0.17,-5.669625870918194
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCN1CCOCC1,CHEMBL378338_active,HS90A,Active,1.0,-11.2846,-8.79,-0.27,-12.099408839916451
CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL448474_active,HS90A,Active,1.0,-10.8228,-8.02,-0.05,-8.571905337432812
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCO,CHEMBL379544_active,HS90A,Active,1.0,-10.2119,-8.73,-0.48,-8.993510815587479
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCCO,CHEMBL379641_active,HS90A,Active,1.0,-10.2423,-8.27,-0.27,-9.691868461599462
CC(C)(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL211528_active,HS90A,Active,1.0,-10.9678,-8.57,-0.6,-12.775303140471312
COc1ccc(-c2c(C)n[nH]c2-c2cc(Cl)c(O)cc2O)cc1,CHEMBL371380_active,HS90A,Active,1.0,-8.29839,-8.39,0.58,-20.0235640980086
C#CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc21,CHEMBL273986_active,HS90A,Active,1.0,-9.4417,-7.62,-1.84,-8.251299327737776
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC,CHEMBL191786_active,HS90A,Active,1.0,-9.60336,-6.97,-0.51,-8.23116969388941
C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21,CHEMBL112953_active,HS90A,Active,1.0,-9.97515,-7.84,-0.44,-8.662583874497702
CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL377024_active,HS90A,Active,1.0,-10.5816,-7.77,-0.9,-9.772964742493446
CC(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL386780_active,HS90A,Active,1.0,-10.7753,-8.46,-1.32,-9.782753858141858
CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL213262_active,HS90A,Active,1.0,-9.80707,-8.29,-0.22,-11.596885067898356
C#CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21,CHEMBL192647_active,HS90A,Active,1.0,-10.2295,-7.32,-1.05,-8.550963032966894
CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc21,CHEMBL386399_active,HS90A,Active,1.0,-9.87887,-8.57,-1.97,-9.188088413619896
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,CHEMBL361078_active,HS90A,Active,1.0,-7.70013,-9.32,0.02,-4.618939293844275
CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc21,CHEMBL213801_active,HS90A,Active,1.0,-9.20618,-8.67,0.19,-9.370115029444964
CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL438613_active,HS90A,Active,1.0,-9.43093,-8.63,-0.89,-11.229018157282926
C=CCNC1=C2C[C@H](C)C[C@H](OC)[C@@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,CHEMBL368483_active,HS90A,Active,1.0,-8.9553,-4.16,-2.88,-5.628035868217852
C#CCCCn1c(Sc2cc(OC)ccc2Cl)nc2c(N)ncnc21,CHEMBL192062_active,HS90A,Active,1.0,-8.90376,-7.94,-0.99,-8.129675943495451
Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc2c(c1)OCCO2,CHEMBL191074_active,HS90A,Active,1.0,-9.82712,-8.98,0.54,-9.804715045201524
CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL379345_active,HS90A,Active,1.0,-9.90476,-8.12,-1.52,-8.163370157106709
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,CHEMBL200469_active,HS90A,Active,1.0,-9.93791,-8.86,-1.04,-8.4443373577267
CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL377958_active,HS90A,Active,1.0,-10.3422,-7.79,0.22,-12.124811008540323
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O,CHEMBL360563_active,HS90A,Active,1.0,-7.53407,-7.53,-0.64,-7.645666901587195
CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,CHEMBL399530_active,HS90A,Active,1.0,-9.75102,-8.79,0.3,-10.30239262557219
CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc21,CHEMBL386499_active,HS90A,Active,1.0,-9.46185,-8.98,-0.27,-9.599523840245146
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCO,CHEMBL209522_active,HS90A,Active,1.0,-9.76696,-8.32,-1.0,-8.620602934990695
CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc21,CHEMBL386882_active,HS90A,Active,1.0,-10.3309,-8.14,0.33,-9.268809353971106
CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc21,CHEMBL377045_active,HS90A,Active,1.0,-10.9041,-7.46,-0.92,-8.868480945361231
C=CCNc1c(O)cc2nc3oc2c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C\3C,CHEMBL377782_active,HS90A,Active,1.0,-10.0408,-3.62,-2.66,-5.361079004761954
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,CHEMBL200255_active,HS90A,Active,1.0,-10.8145,-9.01,-2.15,-10.89548184135946
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCc1cn(CCCO)nn1,CHEMBL1213898_active,HS90A,Active,1.0,-11.3526,-8.4,-1.5,-9.703612050449538
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)O)cc1,CHEMBL426446_active,HS90A,Active,1.0,-9.99668,-7.84,0.4,-10.193415188139202
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCCc1cn(CCCO)nn1,CHEMBL1213899_active,HS90A,Active,1.0,-11.4504,-9.44,-1.27,-10.625041870682562
O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccs1,CHEMBL200628_active,HS90A,Active,1.0,-9.71685,-9.66,-1.64,-11.188521004805784
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Br)c(O)cc3O)CC2)cc1,CHEMBL207307_active,HS90A,Active,1.0,-12.5751,-9.11,-1.93,-8.833676228460273
Oc1cc(O)c(-c2n[nH]cc2N2CCN(Cc3ccccc3)CC2)cc1Cl,CHEMBL251974_active,HS90A,Active,1.0,-9.63575,-8.61,-0.54,-15.945104640552312
CCc1cc(-c2n[nH]c(C(=O)O)c2-c2ccc3c(c2)OCO3)c(O)cc1O,CHEMBL178130_active,HS90A,Active,1.0,-9.99752,-9.37,0.35,-10.48803131251212
O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl,CHEMBL371915_active,HS90A,Active,1.0,-9.93516,-9.12,-1.85,-9.364721534589105
CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,CHEMBL438068_active,HS90A,Active,1.0,-11.3307,-7.8,-0.93,-9.115805941718229
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Cl)c(O)cc3O)CC2)cc1,CHEMBL208239_active,HS90A,Active,1.0,-11.067,-9.06,-1.8,-9.565047770649688
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCF)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,CHEMBL421647_active,HS90A,Active,1.0,-8.925,-4.37,-3.45,-5.756869092172143
CN1CCN(c2ccc3onc(-c4cc(Cl)c(O)cc4O)c3c2)CC1,CHEMBL402712_active,HS90A,Active,1.0,-10.5605,-8.91,0.41,-7.9454485182268915
CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21,CHEMBL191268_active,HS90A,Active,1.0,-9.81492,-7.73,-0.53,-9.557581280215755
C#CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc21,CHEMBL191241_active,HS90A,Active,1.0,-9.48158,-7.71,-0.17,-7.913653057292858
CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@]2(C)Cc3sc(NC(=O)C[NH+](C)C)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840952_decoy,HS90A,Decoy,0.0,-9.62791,-4.85,-2.04,-5.703055735088049
c1ccc(-c2ccc(C[NH2+][C@H]3CO[C@H]4[C@@H]3OC[C@@H]4Nc3nccc(-c4ccco4)n3)cc2)cc1,C05433939_decoy,HS90A,Decoy,0.0,-9.50797,-8.54,-0.63,-7.115950531473649
O=C1N[C@@]([NH2+]Cc2ccco2)(C(F)(F)F)C(=O)N1c1ccc(OC(F)(F)F)cc1,C02192307_decoy,HS90A,Decoy,0.0,-7.553,-7.34,-5.78,-5.912233731217752
COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[NH+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1,C09209926_decoy,HS90A,Decoy,0.0,-8.20353,-9.35,-2.06,-7.7381924379553535
CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1,C09526760_decoy,HS90A,Decoy,0.0,-8.79111,-9.63,-3.2,-7.576842160522862
C[NH+](CC(=O)Nc1ccccc1Oc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1,C09603446_decoy,HS90A,Decoy,0.0,-8.86106,-10.57,-1.51,-10.156469055604184
COc1cc2c(cc1OC)[C@H](c1ccccc1)[NH+](CC(=O)NC(=O)Nc1ccccc1)CC2,C09664084_decoy,HS90A,Decoy,0.0,-9.35013,-6.88,-5.16,-6.851712157552604
C[NH+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1,C09988014_decoy,HS90A,Decoy,0.0,-8.84346,-10.39,-1.12,-9.537231401657293
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)[NH+](C)C,C10333842_decoy,HS90A,Decoy,0.0,-7.2549,-9.09,-3.79,-9.11955301339571
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+](C)CC(=O)Nc1ccc(F)c(F)c1F,C11068527_decoy,HS90A,Decoy,0.0,-8.59237,-8.69,-1.92,-7.771584550484703
Cc1oc(-c2cccs2)nc1CNC(=O)C[C@H]1C(=O)NCC[NH+]1C1Cc2ccccc2C1,C12707283_decoy,HS90A,Decoy,0.0,-10.3579,-6.6,-0.44,-6.841433397269979
O=C(C[NH+]1CCC(c2n[nH]c(-c3ccncc3)n2)CC1)NC(c1ccccc1)c1ccccc1,C13565349_decoy,HS90A,Decoy,0.0,-9.43332,-7.51,-3.33,-8.964447178500539
COc1ccccc1[C@H](CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[NH+](C)C,C23178270_decoy,HS90A,Decoy,0.0,-8.39092,-10.03,-1.57,-9.10704235957302
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)C2=O)cc1,C27346267_decoy,HS90A,Decoy,0.0,-8.57403,-9.11,-3.63,-9.018673030445424
Cc1ccc(-n2nc(C)c(NC(=O)C[NH+]3CCC[C@H](C(=O)Nc4ccccc4)C3)c2C)cc1,C27573109_decoy,HS90A,Decoy,0.0,-9.35215,-9.65,-1.55,-8.388451215528592
O=C(Nc1ccccc1NC(=O)C1CCCCC1)OCC1CCN(c2cc[nH+]cc2)CC1,C28524283_decoy,HS90A,Decoy,0.0,-10.652,-10.89,-1.25,-9.802899734995613
CC[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[NH+]1CCc2ccccc2C1,C32447316_decoy,HS90A,Decoy,0.0,-9.08694,-8.34,-1.68,-7.863669318454035
COCC(=O)Nc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)[NH+]=C3SCCCN32)cc1,C33732153_decoy,HS90A,Decoy,0.0,-9.66877,-5.3,-2.38,-7.040094053871849
Cc1ccccc1NC(=O)Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)[nH+]c1,C34681150_decoy,HS90A,Decoy,0.0,-7.64636,-6.25,-3.16,-5.098168126769335
CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]c1,C34681313_decoy,HS90A,Decoy,0.0,-9.95378,-6.19,-4.2,-5.950502400930944
CCOc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](C)CC3)sc3c2CCCCC3)cc1,C22635486_decoy,HS90A,Decoy,0.0,-10.4814,-8.86,-4.04,-9.031405238965744
CC(=O)/[NH+]=c1/ccc2c(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)cc(O)oc-2c1,C36800527_decoy,HS90A,Decoy,0.0,-8.20441,-4.06,-0.74,-4.354897984610422
O=C(NC1=NC2=[NH+]C(c3ccc(Cl)cc3)=C[C@@H](c3ccccc3)N2N1)c1cccnc1,C10001938_decoy,HS90A,Decoy,0.0,-8.18384,-6.95,-2.82,-6.081767709727727
O=C(NC1=NC2=[NH+]C(c3ccc(Cl)cc3)=C[C@H](c3ccccc3)N2N1)c1cccnc1,C10001939_decoy,HS90A,Decoy,0.0,-9.43323,-5.65,-2.49,-5.231375923088327
COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC(C)(C)[NH2+]C2(C)C,C38806050_decoy,HS90A,Decoy,0.0,-8.36123,-6.39,-2.58,-6.243465404102135
CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1,C38872863_decoy,HS90A,Decoy,0.0,-10.891,-9.12,-3.05,-8.139268255931675
Cc1cccc(S(=O)(=O)/N=C2\[NH+]=c3ccccc3=[NH+][C@H]2Nc2cccc(C(=O)[O-])c2)c1,C38971160_decoy,HS90A,Decoy,0.0,-8.47908,-9.7,-3.59,-9.076052028717086
Cc1cccc(N(C)c2cc(Nc3ccc(CC(=O)NC4CC[NH+](C)CC4)cc3)ncn2)c1,C39301308_decoy,HS90A,Decoy,0.0,-8.78042,-10.03,-4.67,-7.177122729872744
CCCC1=Nc2ccccc2[C@@H]2N/C(=N\C(=O)C3=CC4=c5ccccc5=[NH+][C@@H]4C(C)=N3)NN12,C39940505_decoy,HS90A,Decoy,0.0,-9.52697,-8.82,-0.98,-7.057862141014726
CCCC1=Nc2ccccc2[C@H]2N/C(=N\C(=O)C3=CC4=c5ccccc5=[NH+][C@H]4C(C)=N3)NN12,C39940506_decoy,HS90A,Decoy,0.0,-8.90293,-7.55,-1.56,-6.286582285634078
N#Cc1c(NC(=O)CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)sc2c1CCCCC2,C45513233_decoy,HS90A,Decoy,0.0,-9.71345,-9.95,-1.53,-12.417843887465663
CC[NH+]1CCC[C@@H](Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])C1,C48325650_decoy,HS90A,Decoy,0.0,-8.76998,-8.13,-3.04,-7.432384719914334
COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)c2)c1,C59040587_decoy,HS90A,Decoy,0.0,-10.1198,-9.66,-1.75,-8.22507660607728
COc1cccc(/C=N/[C@]2(C)C[C@H](/[NH+]=C/c3cccc(OC)c3O)c3cccc(OC)c3O2)c1O,C16577785_decoy,HS90A,Decoy,0.0,-9.69382,-8.18,-2.89,-8.475616284345964
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C[NH+]3CCc4ccccc4C3)C(C)(C)C)C2=O)cc1,C59287141_decoy,HS90A,Decoy,0.0,-8.98758,-7.9,-0.84,-7.972498208889256
Cc1ccc(C)c(NC(=S)N/C(=N/c2nc(C)cc(C)n2)N2CCN(c3cccc[nH+]3)CC2)c1,C14159733_decoy,HS90A,Decoy,0.0,-9.8304,-7.85,-1.45,-8.049316400075625
Cc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)[NH+]2CCCC2)cc1,C60238927_decoy,HS90A,Decoy,0.0,-9.12497,-7.01,-2.2,-7.177433976872871
C[NH+]1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1c([O-])[nH]c(=O)n(CCC2=CCCCC2)c1=O,C63376170_decoy,HS90A,Decoy,0.0,-8.67671,-6.02,-0.88,-6.049788674118929
CC[NH+]1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1[C@H]1C(=O)N=C([O-])N(c2cccc3ccccc23)[C@H]1O,C63479770_decoy,HS90A,Decoy,0.0,-6.71275,-7.62,-3.34,-5.756944989520735
Cc1ccccc1NC(=O)CS[C@@H]1Nc2nccnc2C(=O)N1CCC1=c2ccccc2=[NH+]C1,C63541314_decoy,HS90A,Decoy,0.0,-8.13314,-9.84,-1.46,-9.20872204638196
Cc1ccccc1NC(=O)CS[C@H]1Nc2nccnc2C(=O)N1CCC1=c2ccccc2=[NH+]C1,C63541315_decoy,HS90A,Decoy,0.0,-10.113,-9.36,-2.09,-9.833796950244247
CCOc1ccc2c(c1)S[C@H](NC(=O)[C@H]1CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C1)N2,C63557345_decoy,HS90A,Decoy,0.0,-11.9098,-9.55,-3.33,-10.347780458107566
COc1ccc2c(c1)=C(CCN1C[C@H](C(=O)N[C@@H]3Nc4ccc(C)cc4S3)CC1=O)C[NH+]=2,C63557793_decoy,HS90A,Decoy,0.0,-9.23807,-9.57,-2.89,-9.297638446315284
CC(C)[C@H]1NN=C2C=CC(N3CCC(C(=O)NCCC4=c5ccccc5=[NH+]C4)CC3)=NN21,C63780797_decoy,HS90A,Decoy,0.0,-9.61093,-9.02,-0.68,-8.319075393096707
N#Cc1c(NC(=O)CN2C(=O)N[C@H](CC3=c4ccccc4=[NH+]C3)C2=O)sc2c1CCCCC2,C63869464_decoy,HS90A,Decoy,0.0,-11.0737,-5.45,-3.39,-5.191686060515036
O=C(CC1=c2ccccc2=[NH+]C1)NNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2,C63908656_decoy,HS90A,Decoy,0.0,-9.31064,-10.84,-2.3,-9.564920048654308
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)Nc1ccc(-c2ccccc2)cc1,C64052303_decoy,HS90A,Decoy,0.0,-9.93091,-9.96,-2.71,-9.203237561010422
Cc1ccc(C2=[NH+][C@@H](c3ccc4c(=O)n(Cc5ccccc5F)c(=O)[nH]c4c3)ON2)cc1,C64392068_decoy,HS90A,Decoy,0.0,-12.848,-7.31,-2.74,-8.063422560942168
CCOc1cccc(C2=[NH+][C@H](c3ccc4c(=O)n(CCc5ccccc5)c(=O)[nH]c4c3)ON2)c1,C64392182_decoy,HS90A,Decoy,0.0,-10.6643,-10.68,-2.41,-9.820992120363629
COC(=O)[C@H](CCSC)NC(=O)N1CCc2[nH]c[nH+]c2[C@@H]1c1ccc(F)c(F)c1F,C20732840_decoy,HS90A,Decoy,0.0,-9.91701,-4.78,-0.7,-6.995611689091486
NC(=O)C1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1,C06509373_decoy,HS90A,Decoy,0.0,-10.5074,-8.93,-0.98,-10.070869118439363
NC(=O)c1c(NC(=O)C[NH+]2CCC[C@@H]2c2nc3ccccc3s2)sc2c1CCCC2,C09256277_decoy,HS90A,Decoy,0.0,-10.3559,-8.6,-1.41,-9.89150717067256
Cc1c(C#N)c(NC(=O)C[NH+]2Cc3ccccc3C[C@H]2C(N)=O)n(Cc2ccccc2)c1C,C09728010_decoy,HS90A,Decoy,0.0,-9.06304,-8.07,-1.67,-8.50636914113066
Cc1c(C#N)c(NC(=O)C[NH+]2Cc3ccccc3C[C@H]2C(N)=O)n(Cc2cccs2)c1C,C09782931_decoy,HS90A,Decoy,0.0,-9.28698,-8.35,-1.1,-9.526988421600366
CCCCn1c(N)c(N(C(=O)C[NH+]2CCC[C@@H]3CCCC[C@@H]32)C2CCCC2)c(=O)[nH]c1=O,C09949542_decoy,HS90A,Decoy,0.0,-8.55833,-7.33,-2.51,-7.53208087822453
Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cn(CC(N)=O)c3ccccc23)c1C,C11938080_decoy,HS90A,Decoy,0.0,-9.94464,-8.77,-1.56,-7.628380848368622
CCCC/[NH+]=C/[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@H]3C=CC(=O)O3)CC[C@@]12O,C12657975_decoy,HS90A,Decoy,0.0,-8.95722,-4.8,-1.56,-5.499194956963379
NC(=O)c1c(NC(=O)C[NH+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)sc2c1CCCC2,C12762711_decoy,HS90A,Decoy,0.0,-8.96199,-7.32,-3.04,-6.8493824439287785
Cc1c(-c2ccccc2)sc(NC(=O)C[NH+]2CCC[C@H]2C(N)=O)c1C(=O)N1CCCCC1,C12922223_decoy,HS90A,Decoy,0.0,-10.2218,-6.35,-3.39,-8.228738510089256
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH+]3CCC[C@H](C(N)=O)C3)CC2)c1,C15001298_decoy,HS90A,Decoy,0.0,-9.76145,-8.38,-1.97,-7.708887505543225
CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@@H]2Cc2ccc(O)cc2)C(=O)Nc2ccc(Cl)cc21,C08995717_decoy,HS90A,Decoy,0.0,-11.641,-5.79,-3.0,-6.800290419063558
C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[NH+]2CC=C(c3ccc(O)cc3)CC2)C1=O,C25680132_decoy,HS90A,Decoy,0.0,-8.84724,-10.63,-1.03,-9.028955778879608
CC(C)CNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl,C26457513_decoy,HS90A,Decoy,0.0,-9.43478,-8.25,-1.46,-10.27271011953438
COc1ccccc1NC(=O)C1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1,C29904641_decoy,HS90A,Decoy,0.0,-9.93302,-7.65,-3.83,-6.81397841834465
O=[P@]1(NNc2ncccn2)SC(NN=C2CCCCC2)=[NH+]C12CCCCC2,C06599349_decoy,HS90A,Decoy,0.0,-7.45597,-6.2,-3.56,-5.6863984248860495
CC[C@H](C)CNC(=O)[C@H]1CSC2(CCN(C(=O)Nc3cccc(F)c3)CC2)[NH2+]1,C35375117_decoy,HS90A,Decoy,0.0,-10.2642,-7.08,-2.88,-6.884055935709437
Cc1cc(C)c2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2[nH+]1,C00950134_decoy,HS90A,Decoy,0.0,-7.70153,-8.65,-1.44,-7.0913010272963
C[NH+]1[C@@H](SCC(=O)N/N=C/[C@@H]2C=NN=C2c2ccccc2)NN[C@@H]1c1cccc(Cl)c1,C38661636_decoy,HS90A,Decoy,0.0,-9.31778,-7.29,-1.66,-7.281965801749118
Cc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)Nc4ccccc4C(N)=O)C3)n2)cc1,C38891003_decoy,HS90A,Decoy,0.0,-8.5203,-10.22,-1.11,-9.237610945177789
CC[NH+]1[C@@H](SCc2nc3ccccc3c(=O)[nH]2)NN[C@H]1c1ccc(Cl)cc1,C39356214_decoy,HS90A,Decoy,0.0,-8.24432,-9.07,-1.15,-7.792071351128598
O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)C[NH+](C[C@H]1C=CON1)CC2,C39490058_decoy,HS90A,Decoy,0.0,-9.40188,-9.19,-0.07,-8.721746482622008
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,C39597621_decoy,HS90A,Decoy,0.0,-9.89451,-8.75,-0.73,-8.740121444861131
Cc1ccc(F)cc1C(=O)N1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C2(CC[NH2+]CC2)C1,C39597800_decoy,HS90A,Decoy,0.0,-9.205,-8.41,-1.7,-7.878670907499983
Cc1ccsc1C(=O)N1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C2(CC[NH2+]CC2)C1,C39597947_decoy,HS90A,Decoy,0.0,-8.46166,-7.69,-1.12,-7.702748858872172
Cc1ccc(CC(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C3(CC[NH2+]CC3)C2)cc1,C39597951_decoy,HS90A,Decoy,0.0,-9.78119,-10.17,-1.59,-9.145765538784138
Cc1cccc(CC(=O)N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C3(CC[NH2+]CC3)C2)c1,C39597961_decoy,HS90A,Decoy,0.0,-10.0325,-12.0,-1.63,-14.18528681914889
Cc1ccc2[nH]cc(CCNC(=O)[C@H]3CN(C(=O)c4sccc4C)CC34CC[NH2+]CC4)c2c1,C39656215_decoy,HS90A,Decoy,0.0,-8.48983,-8.55,-1.76,-7.811154773217463
O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,C39671452_decoy,HS90A,Decoy,0.0,-8.6995,-9.13,-0.95,-9.610388144832008
CCC(CC)C(=O)N1C[C@@H](C(=O)NCCc2c(C)[nH]c3ccccc23)C2(CC[NH2+]CC2)C1,C39674007_decoy,HS90A,Decoy,0.0,-9.19481,-7.97,-2.3,-8.30511201398806
Cc1cccc2c(CCNC(=O)[C@@H]3CN(C(=O)[C@H]4CC=CCC4)CC34CC[NH2+]CC4)c[nH]c12,C39684215_decoy,HS90A,Decoy,0.0,-10.8159,-8.55,-3.14,-9.5604381158091
CC[C@H](C)CC(=O)N1C[C@H](C(=O)NCCc2c[nH]c3c(C)cccc23)C2(CC[NH2+]CC2)C1,C39684228_decoy,HS90A,Decoy,0.0,-9.25463,-9.21,-0.99,-9.535771818490703
O=C(CS[C@H]1NN[C@@H](c2ccccc2)N1c1ccccc1)N/N=C/C1=c2ccccc2=[NH+]C1,C39769742_decoy,HS90A,Decoy,0.0,-7.9775,-10.5,-3.39,-7.901700445670812
O=C(N[C@@H]1CCCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1,C43223204_decoy,HS90A,Decoy,0.0,-11.356,-8.03,-3.04,-8.547182120454766
CC1(C)CC(NC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc34)C2)CC(C)(C)[NH2+]1,C08991426_decoy,HS90A,Decoy,0.0,-10.5136,-7.72,-2.85,-7.909224004386566
CC(C)[NH2+][C@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,C50441524_decoy,HS90A,Decoy,0.0,-8.88684,-5.4,-0.97,-7.280851767494989
O=C(C[C@H]1C(=O)NCC[NH+]1C1CCCC1)NCCCc1nc2ccc(F)cc2[nH]1,C19346123_decoy,HS90A,Decoy,0.0,-9.21728,-9.81,0.1,-8.874828425303788
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1,C07030622_decoy,HS90A,Decoy,0.0,-10.7121,-11.22,-0.16,-25.70162440602238
CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[NH+]1CCC[C@@H](C(N)=O)C1,C58328445_decoy,HS90A,Decoy,0.0,-8.20146,-9.58,-4.5,-9.14988382213746
Cc1cc(C)c(NC(=O)CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c(C)c1,C54044527_decoy,HS90A,Decoy,0.0,-9.97866,-6.94,-3.09,-9.03289832600626
NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1,C59935271_decoy,HS90A,Decoy,0.0,-9.7747,-7.9,-0.26,-7.406849156734299
N#Cc1c(NC(=O)CC[NH+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)sc2c1CCCC2,C60090185_decoy,HS90A,Decoy,0.0,-10.344,-9.98,-3.48,-9.114856193981796
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC[NH+](CCC#N)C3)c2C(N)=O)C1,C62039396_decoy,HS90A,Decoy,0.0,-7.99605,-6.17,-1.87,-5.802692592100379
CC1=C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)[C@@H](c2c(F)cccc2Cl)NO1,C63160888_decoy,HS90A,Decoy,0.0,-7.16556,-4.96,-1.61,-5.433599387137148
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1C[C@@H]2N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1,C63205509_decoy,HS90A,Decoy,0.0,-7.67704,-6.4,-2.57,-5.843299635221381
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1C[C@H]2N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1,C63205511_decoy,HS90A,Decoy,0.0,-8.16712,-7.36,-2.94,-6.604298606281154
CC[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@H](c2c([O-])[nH]c(=S)n(-c3ccc(OC)cc3)c2=O)[NH2+]1,C63386033_decoy,HS90A,Decoy,0.0,-7.12638,-5.96,-3.72,-5.354803136261941
O=C(NC[C@@H]1C=c2cc(Cl)ccc2=[NH+]1)[C@@H]1CNN2[C@H]1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F,C63537904_decoy,HS90A,Decoy,0.0,-8.65116,-6.25,-1.2,-6.400451905604708
Cc1ccc(C(=O)N[C@@H]2NC3=C(C(=O)NCCC4=c5ccccc5=[NH+]C4)CC[C@@H]3S2)cc1,C63690795_decoy,HS90A,Decoy,0.0,-10.6908,-5.67,-1.73,-6.951895639124111
O=C(CNC(=O)c1ccc2c(c1)[C@H](c1ccccc1)ON2)NCCC1=c2cc(F)ccc2=[NH+]C1,C64480140_decoy,HS90A,Decoy,0.0,-9.13242,-5.67,-0.59,-5.71853249468423
O=C(NCc1ccco1)N1CCC[C@@]2(C1)Nc1cccnc1N/C2=[NH+]\Cc1ccccc1,C65265714_decoy,HS90A,Decoy,0.0,-9.35814,-6.58,-1.72,-6.689630813958512
CC[C@@H](C)n1c(O)c([C@@H]2c3[nH]c4ccccc4c3CC[NH+]2CC)c(=O)[nH]c1=O,C04090370_decoy,HS90A,Decoy,0.0,-8.47175,-6.73,-0.78,-6.594929556554726
CC1(C)CC(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)CC(C)(C)[NH2+]1,C06787755_decoy,HS90A,Decoy,0.0,-8.43308,-7.56,-0.94,-8.33012124566509
CCCCn1c(O)nc(O)c([C@H]2c3[nH]c4ccccc4c3CC[NH+]2C)c1=O,C09334719_decoy,HS90A,Decoy,0.0,-8.97775,-6.37,-1.87,-6.641283813577244
O=C(C[NH+]1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc2[nH]c(=O)[nH]c2c1,C30965046_decoy,HS90A,Decoy,0.0,-9.70541,-10.18,-0.59,-9.622032384845197
CNC(=O)[C@@H]1CCCN(c2ccc(NC(=O)Nc3cccc(F)c3)c[nH+]2)C1,C33303023_decoy,HS90A,Decoy,0.0,-8.83926,-7.68,-2.27,-6.380179117260036
O=C(C[NH+]1CCCC1)Nc1ccc(NC(=O)Nc2ccc(F)cc2)cc1,C35315268_decoy,HS90A,Decoy,0.0,-9.23497,-8.08,-4.82,-6.679112192131522
Nc1cc(=O)[nH+]c(SCC(=O)Nc2ccccc2)n1CCc1ccccc1,C06658561_decoy,HS90A,Decoy,0.0,-9.65844,-7.95,-1.27,-8.770216388152882
Cc1ccccc1[C@@H](C)NC(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1,C42799898_decoy,HS90A,Decoy,0.0,-8.13713,-9.66,-2.99,-7.318555500519048
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NNC(=O)c1ccccc1F,C42814246_decoy,HS90A,Decoy,0.0,-8.50195,-9.11,-2.51,-7.925538399709075
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(SC)c2)CC1,C43157014_decoy,HS90A,Decoy,0.0,-10.7816,-8.36,-3.19,-9.38666526013989
N#Cc1cccc(NNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1,C43231781_decoy,HS90A,Decoy,0.0,-9.77594,-8.65,-3.99,-10.2410967429917
CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)cc1,C45980890_decoy,HS90A,Decoy,0.0,-8.46418,-8.48,-2.06,-6.723950904538278
Cc1ccccc1C(=O)NNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1,C46987078_decoy,HS90A,Decoy,0.0,-6.79685,-7.87,-2.41,-8.735341791213948
C[NH+](C)[C@H](CNC(=O)NNC(=O)c1ccc(F)cc1)Cc1ccccc1,C49795353_decoy,HS90A,Decoy,0.0,-7.7666,-8.99,-2.36,-7.275311184979848
CNC(=O)c1cccc(NC(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)c1,C50051850_decoy,HS90A,Decoy,0.0,-8.50929,-9.4,-3.09,-7.989423454232223
CCCCNC(=O)[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1,C51267716_decoy,HS90A,Decoy,0.0,-8.66101,-5.58,-1.45,-4.883874603994686
Cc1ccc(C(=O)NC2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)o1,C51267719_decoy,HS90A,Decoy,0.0,-10.1251,-5.74,-2.87,-6.379686717588985
C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1,C52554730_decoy,HS90A,Decoy,0.0,-8.80299,-8.66,-4.33,-9.349727523094728
C[C@@H]1CCC[C@](CNC(=O)NNC(=O)Cc2ccc(F)cc2)([NH+](C)C)C1,C52586786_decoy,HS90A,Decoy,0.0,-8.08101,-6.34,-1.02,-7.060541363781551
CNC(=O)c1cccc(NC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)c1C,C54407220_decoy,HS90A,Decoy,0.0,-8.60737,-10.4,-2.58,-8.80447210135991
C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NNC(=O)Cc2ccc(F)cc2)C1,C54805323_decoy,HS90A,Decoy,0.0,-8.39959,-6.31,-0.93,-6.086962693088368
C[NH+](C)C(C)(C)CNC(=O)NCCC(=O)Nc1ccc(Br)cc1,C57197911_decoy,HS90A,Decoy,0.0,-8.18634,-8.37,-0.38,-6.767826803180105
O=C(CNC(=O)NC[C@H]1CC[NH+](CC(F)(F)F)C1)Nc1cccc(F)c1,C51278207_decoy,HS90A,Decoy,0.0,-7.92168,-8.77,-1.24,-6.399557630450867
CC(C)CC(=O)Nc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)cc1,C44031010_decoy,HS90A,Decoy,0.0,-10.1066,-9.22,-1.69,-8.583836282890497
O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)NC1CCCCC1,C59993616_decoy,HS90A,Decoy,0.0,-9.66248,-6.88,-1.93,-6.631182624975361
CNC(=O)c1cccc(CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)c1,C41406058_decoy,HS90A,Decoy,0.0,-9.38745,-7.05,-4.5,-6.854799838500849
C[C@@H]1C[C@@H](C)C[NH+](C[C@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,C63160942_decoy,HS90A,Decoy,0.0,-7.45048,-7.36,-1.34,-7.844287906227357
C[C@@H]1CCC[NH+](CCCCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,C63161738_decoy,HS90A,Decoy,0.0,-7.87776,-8.39,-1.5,-6.718702543025195
CC(C)(CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[NH+]1CCCCC1,C63162414_decoy,HS90A,Decoy,0.0,-6.62327,-6.33,-2.72,-6.083986567851015
O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2C1)NC[C@H](O)c1ccccc1,C63271410_decoy,HS90A,Decoy,0.0,-9.27891,-7.07,-3.37,-6.385763364931553
O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)NNC(=O)c1ccccc1F,C64644202_decoy,HS90A,Decoy,0.0,-10.1889,-8.65,-4.33,-8.45232972462644
CC(C)(CNC(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[NH+]1CCCCC1,C53117309_decoy,HS90A,Decoy,0.0,-8.77376,-8.4,-2.27,-6.591388482252936
O=C(NCc1cccc(F)c1)N1CC[C@]2(C1)Nc1cccnc1N/C2=[NH+]\C1CCCC1,C65266359_decoy,HS90A,Decoy,0.0,-8.70068,-6.01,-3.29,-6.4388026292740665
C[NH+](C)CC(=O)Nc1cccc(CNC(=O)Nc2cccc(F)c2F)c1,C65425503_decoy,HS90A,Decoy,0.0,-8.88422,-9.34,-0.92,-8.223121350072319
CC(C)[NH+]1CC[C@H](CNC(=O)NCc2cccc(NC(=O)C3CCC3)c2)C1,C65441683_decoy,HS90A,Decoy,0.0,-8.9166,-8.61,-1.19,-7.837445639877558
C[C@@H](Nc1nc(CC[NH3+])nc2ccccc12)c1ccccc1-n1cccn1,C65508362_decoy,HS90A,Decoy,0.0,-10.0329,-5.79,-2.74,-6.550454770960982
CCc1ccc(-c2nn(C[NH+]3CCC[C@@H](CCC(N)=O)C3)c(=S)[nH]2)cc1,C66080561_decoy,HS90A,Decoy,0.0,-10.3554,-8.87,-3.13,-10.357518582892544
C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCNC(=O)c2ccc(F)cc2)C1,C66384751_decoy,HS90A,Decoy,0.0,-9.78918,-9.43,-2.73,-8.98708232551666
C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,C66402173_decoy,HS90A,Decoy,0.0,-7.79153,-7.48,-1.07,-7.772546372068255
CC(C)[NH+]1CC[C@H](CNC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)C1,C66679650_decoy,HS90A,Decoy,0.0,-8.98039,-6.95,-0.87,-6.458695561450206
O=C(Cc1ccccc1F)NNC(=O)NCc1ccccc1C[NH+]1CCCCC1,C66908210_decoy,HS90A,Decoy,0.0,-7.76389,-9.16,-0.76,-7.3190557331202
O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@]1(O)CCCc2ccccc21,C66909135_decoy,HS90A,Decoy,0.0,-8.13482,-7.57,-2.38,-7.100334415103975
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NNC(=O)Cc2ccccc2F)C1,C66924952_decoy,HS90A,Decoy,0.0,-9.35833,-8.29,-3.52,-6.904686930091206
CC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(F)cc1F,C66981892_decoy,HS90A,Decoy,0.0,-7.86051,-7.59,-1.31,-7.169804377936121
CC[C@@H](CNC(=O)NNC(=O)c1sccc1C)[NH+]1CCc2ccccc2C1,C67045163_decoy,HS90A,Decoy,0.0,-8.35305,-8.12,-1.53,-6.317669074980742
O=C(CC1CCCCC1)NNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1,C67359417_decoy,HS90A,Decoy,0.0,-9.61694,-7.99,-1.95,-8.921159985567277
CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1,C67419134_decoy,HS90A,Decoy,0.0,-8.75707,-5.78,-2.21,-6.478305455464959
CN(Cc1cccc(C(N)=O)c1)C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1,C67480895_decoy,HS90A,Decoy,0.0,-9.18391,-8.82,-4.18,-8.968841673626677
CCCNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1,C67562734_decoy,HS90A,Decoy,0.0,-9.03628,-7.57,-4.27,-6.707532888769758
Cc1nc(NCCc2nc3ccc(C)c(C)c3[nH]2)cc([C@@H]2CCC[NH2+]C2)n1,C67654431_decoy,HS90A,Decoy,0.0,-9.15182,-9.47,-1.21,-8.285116044869076
CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1,C04132899_decoy,HS90A,Decoy,0.0,-7.92777,-6.28,-0.78,-3.772894703278536
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1,C04177327_decoy,HS90A,Decoy,0.0,-8.38034,-6.16,-1.56,-5.446217731150061
Nc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)sc2nc3c(cc12)CCCCC3,C08416473_decoy,HS90A,Decoy,0.0,-10.7045,-8.92,-1.64,-7.361461974275801
CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)c2C(N)=O)C1,C02085918_decoy,HS90A,Decoy,0.0,-11.2693,-7.28,-5.29,-7.517964022288368
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)c2C(N)=O)C1,C02086532_decoy,HS90A,Decoy,0.0,-10.609,-5.72,-4.27,-6.162595908307812
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(OCC(C)C)c3ccccc23)NC(=S)N1,C00666671_decoy,HS90A,Decoy,0.0,-11.819,-8.52,-0.21,-17.885591907329136
N#Cc1c(Nc2cccc(C(F)(F)F)c2)sc(C(=O)C23CC4CC(CC(C4)C2)C3)c1N,C08451010_decoy,HS90A,Decoy,0.0,-9.28435,-10.64,-1.6,-10.139131481203831
Cc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N,C09370948_decoy,HS90A,Decoy,0.0,-10.451,-6.62,-2.63,-6.264945621755707
Cc1ccc2nc(-c3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c(NC3CCCCC3)n2c1,C13563565_decoy,HS90A,Decoy,0.0,-10.8517,-7.78,-4.19,-7.052056231005229
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2O)N3)c(C)c1,C14474057_decoy,HS90A,Decoy,0.0,-10.266,-7.14,-2.87,-7.030747813291314
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1O)N2,C14474258_decoy,HS90A,Decoy,0.0,-10.0628,-6.89,-3.74,-7.686975196563309
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2,C14545195_decoy,HS90A,Decoy,0.0,-8.85767,-7.04,-1.88,-7.390719082557499
O=C(CCc1ccccc1)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2,C14545197_decoy,HS90A,Decoy,0.0,-9.48361,-11.8,-5.73,-9.055293841475086
Cc1cc(O)cc2c1[C@H](c1ccccc1)[C@H]1CCC[C@H]3[C@H](c4ccccc4)NC(=S)N[C@]13O2,C15021633_decoy,HS90A,Decoy,0.0,-9.40133,-5.74,-1.0,-5.283002472466239
COc1cccc2cc(/C(=N\NC(N)=S)C3CC(C)(c4c(C)cc(C)cc4C)C3)oc12,C15230120_decoy,HS90A,Decoy,0.0,-8.7554,-10.63,-1.67,-9.72412321944279
O=C(NCC1CCN(C(=O)Nc2cccc3ccccc23)CC1)Nc1cccc2ccccc12,C16544952_decoy,HS90A,Decoy,0.0,-8.19364,-8.22,-3.43,-8.32491683806866
CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccc(C)s4)nc4ccccc34)c2C(N)=O)C1,C02737054_decoy,HS90A,Decoy,0.0,-12.0373,-6.53,-2.87,-7.384659291396175
Cc1ccc(Cc2c(C)nc(Nc3ccccc3N)n(Cc3ccc(C)cc3C)c2=O)c(C)c1,C16884955_decoy,HS90A,Decoy,0.0,-9.69576,-10.81,-1.55,-9.389995522448356
Cc1nc(Nc2ccccc2N)n(Cc2ccccc2Cl)c(=O)c1Cc1ccccc1Cl,C16885157_decoy,HS90A,Decoy,0.0,-9.34318,-9.91,-4.74,-9.110279298033776
Cc1nc(Nc2ccccc2N)n(Cc2ccccc2Cl)c(=O)c1Cc1ccc(Cl)cc1,C16885196_decoy,HS90A,Decoy,0.0,-10.3717,-9.76,-0.82,-9.999732871926202
CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1,C17085811_decoy,HS90A,Decoy,0.0,-11.0051,-1.43,-1.01,-4.329090007872688
Cc1ccc(C(=O)c2sc(Nc3cccc(C)c3)c(S(=O)(=O)c3ccccc3)c2N)cc1,C20418322_decoy,HS90A,Decoy,0.0,-8.54359,-9.76,-1.47,-9.023973742881958
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1O)N2,C20696470_decoy,HS90A,Decoy,0.0,-11.3207,-11.18,-1.34,-11.661737707846273
CC(C)CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc(Br)ccc1O)N2,C20696472_decoy,HS90A,Decoy,0.0,-11.7491,-6.37,-1.69,-6.837692258683788
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@@H](c2ccccc2O)N3)c(C)c1,C20706994_decoy,HS90A,Decoy,0.0,-10.196,-9.03,-0.78,-9.092715825366602
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)cc1,C20882474_decoy,HS90A,Decoy,0.0,-10.4528,-5.93,-3.92,-6.787191866165341
CCc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1,C20882599_decoy,HS90A,Decoy,0.0,-8.61862,-5.91,-0.73,-5.5281345750222135
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1,C20885504_decoy,HS90A,Decoy,0.0,-8.49157,-6.37,-1.39,-5.374816625605902
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc23)cc1,C20885506_decoy,HS90A,Decoy,0.0,-9.49923,-5.85,-1.36,-5.9613061613515805
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc23)ccc1OC(C)C,C21258079_decoy,HS90A,Decoy,0.0,-10.3501,-6.25,-2.17,-6.613750579635984
O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1,C22636585_decoy,HS90A,Decoy,0.0,-8.95826,-10.21,-2.66,-7.637526955332837
Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3F)sc(C(=O)c3ccc(C)cc3C)c2N)cc1,C33058377_decoy,HS90A,Decoy,0.0,-9.97117,-8.02,-4.01,-8.769953882500182
Nc1c2c(-c3ccc(Cl)cc3)nc(NCc3ccc(F)cc3)nc2nn1-c1cccc(F)c1,C35573885_decoy,HS90A,Decoy,0.0,-8.36105,-10.6,-1.18,-8.518971241055377
Cc1ccc(Nc2sc3c(-c4ccccc4)c(C#N)c(N)nc3c2C(=O)N2CCCCC2)cc1,C39895324_decoy,HS90A,Decoy,0.0,-9.33364,-7.15,-0.15,-7.255352579922493
Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(c(-c4cccs4)c12)CCCC3,C40486442_decoy,HS90A,Decoy,0.0,-8.54332,-9.37,-4.08,-9.329262895168007
CC1(C)C[C@@H]2C[C@@](C)(CN2c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2N)C1,C40735407_decoy,HS90A,Decoy,0.0,-9.75691,-6.36,-3.12,-5.924332641993897
Cc1cc(Oc2ncnc(Nc3ccc(Br)cc3F)c2N)cc(C)c1Cl,C40797112_decoy,HS90A,Decoy,0.0,-10.3368,-5.38,-1.49,-4.827515953966216
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=S)N1,C45326744_decoy,HS90A,Decoy,0.0,-8.99964,-7.23,-0.95,-7.1909786078182965
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1,C08919681_decoy,HS90A,Decoy,0.0,-9.12204,-6.64,-1.5,-5.930334940217773
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1,C08919692_decoy,HS90A,Decoy,0.0,-10.8463,-6.67,-0.52,-6.78731743928577
CC[NH+](CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1,C09111189_decoy,HS90A,Decoy,0.0,-8.61927,-4.62,-3.32,-5.221181559448903
O=C(Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1ccco1,C14816588_decoy,HS90A,Decoy,0.0,-8.12886,-11.95,-1.28,-12.510454730503437
CC[NH+](CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1,C08432440_decoy,HS90A,Decoy,0.0,-9.0591,-4.89,-1.3,-5.739848202135268
CC1=C(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2Cl)NC(=S)N1,C59384888_decoy,HS90A,Decoy,0.0,-9.17936,-5.32,-1.01,-5.75355894518306
CC1=C(C(=O)N/N=C/c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1,C59384954_decoy,HS90A,Decoy,0.0,-10.7102,-5.65,-1.07,-6.737153769784447
Cc1cc(C)cc(C(=O)NC(=S)NC2=CC(=O)/C(=C3\Nc4cc(C(C)C)ccc4O3)C=C2)c1,C22567196_decoy,HS90A,Decoy,0.0,-9.86636,-10.35,-3.94,-7.295991695318663
Cc1ccc(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)c(C)c1,C08410502_decoy,HS90A,Decoy,0.0,-7.97552,-5.0,-0.18,-5.521646198431804
Cc1ccc(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)c(C)c1,C08410498_decoy,HS90A,Decoy,0.0,-7.68198,-4.95,-0.78,-5.218807535512617
CN1CCc2nc3sc(C(=O)/N=c4\[nH]c5ccccc5s4)c(N)c3c(-c3cccs3)c2C1,C13739237_decoy,HS90A,Decoy,0.0,-9.85687,-5.8,-4.87,-5.143644500187722
Cc1cc(C(F)(F)F)c2c(N)c(C(=O)/N=c3\[nH]c4cc(Br)ccc4s3)sc2n1,C13739445_decoy,HS90A,Decoy,0.0,-9.33844,-10.28,-3.33,-7.834453787877275
COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC,C00655240_decoy,HS90A,Decoy,0.0,-9.7914,-8.53,-1.31,-9.526392703366897
CC1=C(C(N)=O)[C@H](c2ccc(F)cc2)n2nc(-c3cccc(Cl)c3)nc2N1,C04574551_decoy,HS90A,Decoy,0.0,-8.48749,-5.31,-1.22,-5.701064329063675
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1N,C04601309_decoy,HS90A,Decoy,0.0,-11.1506,-9.01,-3.27,-8.670831295598733
Oc1cccc([C@H](O)CNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)c1,C04966860_decoy,HS90A,Decoy,0.0,-11.0776,-11.07,-1.11,-11.354527424063352
Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(N)s3)n2)cc1C,C07535686_decoy,HS90A,Decoy,0.0,-10.8419,-9.61,-0.71,-8.532841859519012
Nc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1[N+](=O)[O-],C09891629_decoy,HS90A,Decoy,0.0,-6.74682,-9.52,-1.08,-7.446266781883559
CSc1nc(C)c(CC(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)c(=O)[nH]1,C12195612_decoy,HS90A,Decoy,0.0,-10.1271,-5.38,-2.37,-5.917818295927434
NC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1,C12560577_decoy,HS90A,Decoy,0.0,-9.37485,-5.78,-2.22,-5.960287333373291
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c(C)c1,C12551974_decoy,HS90A,Decoy,0.0,-8.03145,-10.45,-2.55,-9.654825768824422
Cc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1c[nH]c2ccccc12,C08090918_decoy,HS90A,Decoy,0.0,-8.1323,-5.31,-2.26,-5.270101146054043
Cc1cc(NC[C@@H](O)c2cccc(O)c2)n2nc(-c3cccc(F)c3)cc2n1,C19117248_decoy,HS90A,Decoy,0.0,-9.72806,-6.88,-1.53,-5.915027420606926
Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2N)c1C,C21878307_decoy,HS90A,Decoy,0.0,-10.7629,-8.44,-1.31,-7.16180587037338
Cc1cc(C)c2c(C(=O)N[C@@H](C)C(F)(F)F)cc(-c3cnc(N)nc3)nc2c1,C23429060_decoy,HS90A,Decoy,0.0,-8.13273,-5.74,-0.24,-5.4554972465813
Cc1cc(C)c(C(=O)Cn2nc(N)n(Nc3ccccc3)c2=S)c(C)c1,C28527651_decoy,HS90A,Decoy,0.0,-8.89377,-8.17,-0.49,-7.9111560228182
Cc1sc2nc([C@@H](C)Sc3nc(-c4ccccc4)cn3N)[nH]c(=O)c2c1C,C18151879_decoy,HS90A,Decoy,0.0,-10.6752,-9.05,-3.0,-11.437134253039089
NC(=O)c1ccc(CNc2cccc(C#Cc3cccs3)c2)c([N+](=O)[O-])c1,C36395520_decoy,HS90A,Decoy,0.0,-9.8204,-5.82,-1.78,-6.339369020483946
Cc1cccc(-c2cc(N)n(-c3ccc(C(=O)NCc4ccco4)cc3)n2)c1,C38737576_decoy,HS90A,Decoy,0.0,-7.8377,-10.12,-3.75,-6.385555066151854
Cc1cc(NC(=O)c2sc3nc(-c4ccc(F)cc4F)ccc3c2N)no1,C39324170_decoy,HS90A,Decoy,0.0,-9.24114,-9.64,-3.99,-6.839956092098736
O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C40161091_decoy,HS90A,Decoy,0.0,-8.79877,-6.98,-1.3,-5.504680852871952
Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)oc2c1/C(=N/NC(N)=S)CCC2,C40824483_decoy,HS90A,Decoy,0.0,-9.18236,-11.14,-1.37,-9.947824191342256
C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccc(-c2ccccc2)cc1,C42356405_decoy,HS90A,Decoy,0.0,-9.4471,-9.89,-3.44,-7.623691576164142
CC(C)[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccc2c(c1)CCC2,C43025528_decoy,HS90A,Decoy,0.0,-8.88358,-8.65,-3.19,-7.605513966604503
O=C(CNC(=O)Nc1ccc2c(c1)oc1ccccc12)NCC(F)(F)F,C47546886_decoy,HS90A,Decoy,0.0,-7.26304,-8.98,-2.09,-9.122002043572586
Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(F)c1,C48718799_decoy,HS90A,Decoy,0.0,-9.11339,-8.61,-0.81,-7.661664797126464
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(NCc2ccccc2)cc1,C06615967_decoy,HS90A,Decoy,0.0,-8.9764,-10.68,-4.27,-9.25494617357183
C[C@@H](Nc1ncnc2c(Br)cccc12)c1ccc2[nH]c(=O)[nH]c2c1,C52384906_decoy,HS90A,Decoy,0.0,-9.32787,-10.62,-1.74,-14.804600838851153
O=C1NC(=O)c2ccccc2/C1=C\NNC(=O)c1cc2c(s1)CCCCC2,C16721526_decoy,HS90A,Decoy,0.0,-9.96245,-9.38,-2.15,-7.991105857908994
Cc1[nH]c2ccccc2c1C(=O)C(=O)NNC(=O)Cc1ccc2ccccc2c1,C53607009_decoy,HS90A,Decoy,0.0,-7.12407,-8.38,-1.65,-5.821712383701936
O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C[NH2+]/C=C/C1=CCCCC1,C55142005_decoy,HS90A,Decoy,0.0,-9.51418,-5.71,-0.98,-5.626437845941863
Cc1ccc(C(=O)N[C@H]2C(=O)Nc3cccc(C)c32)cc1NC(=O)C1CCCC1,C55368764_decoy,HS90A,Decoy,0.0,-8.2365,-10.57,-0.46,-9.03523890928466
Cc1cccc(C)c1NC(=O)CNC(=O)N[C@H](C)c1oc2ccccc2c1C,C56793569_decoy,HS90A,Decoy,0.0,-8.28671,-7.83,-1.5,-7.106329156932434
Cc1ccc(C(O)(C(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1,C04553020_decoy,HS90A,Decoy,0.0,-8.58089,-7.74,-3.21,-7.943138330884958
Nc1nc(CN2CCC[C@@H]2c2cccs2)nc(Nc2ccc(F)cc2)n1,C14929966_decoy,HS90A,Decoy,0.0,-9.27849,-8.91,-0.13,-8.928975295096995
Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1C,C58315566_decoy,HS90A,Decoy,0.0,-9.47251,-9.52,-2.12,-9.520411789852448
NC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCc3ccccc32)c1,C58339515_decoy,HS90A,Decoy,0.0,-9.42905,-11.43,-1.95,-9.561456892166182
O=C(CNC(=O)C1CCCC1)Nc1ccc2[nH]c(-c3cccs3)nc2c1,C60570892_decoy,HS90A,Decoy,0.0,-9.85606,-9.13,-1.0,-6.8851865675848325
Cc1cc(C)c(NC(=O)CNC(=O)NCc2cc3ccccc3o2)c(C)c1,C61165597_decoy,HS90A,Decoy,0.0,-7.71375,-7.71,-4.68,-7.219765744490984
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O,C61972701_decoy,HS90A,Decoy,0.0,-9.97153,-7.16,-1.04,-6.117212273530404
Cc1nc(NC(=O)c2ccccc2F)sc1[C@@H]1N[C@H](c2cccs2)NO1,C53620167_decoy,HS90A,Decoy,0.0,-8.47226,-5.3,-2.19,-4.574459453377161
Cc1ccc2c(c1)S[C@H](c1ccc([N-]S(=O)(=O)c3c[nH+]c[nH]3)cc1)N2,C63753160_decoy,HS90A,Decoy,0.0,-10.5443,-6.57,-3.25,-6.24224952853628
CC(=O)Nc1cccc2c1CCN(C(=O)NCc1ccc3[nH]c(C)c(C)c3c1)C2,C65019162_decoy,HS90A,Decoy,0.0,-9.37199,-7.36,-0.78,-8.959857264783967
CC(=O)Nc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)c(F)cc1F,C65556764_decoy,HS90A,Decoy,0.0,-7.82208,-5.87,-1.99,-6.157862546975137
O=C(NCc1ccc(Br)s1)Nc1ccc2c(c1)C(=O)NC2=O,C65788573_decoy,HS90A,Decoy,0.0,-9.41648,-9.2,-0.73,-7.760992956854925
C[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1cccc2ccccc12,C66239806_decoy,HS90A,Decoy,0.0,-9.14405,-8.22,-3.68,-5.87935875981829
C[C@@H](Cc1ccccc1F)NC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66679596_decoy,HS90A,Decoy,0.0,-7.95213,-10.35,-2.05,-8.31961435531805
O=C(NCc1nc(-c2cccs2)n[nH]1)N[C@H]1CCCC[C@@H]1C(F)(F)F,C66698547_decoy,HS90A,Decoy,0.0,-8.58395,-8.48,-1.63,-6.39333889951042
O=C(NC[C@@]1(O)CCCc2ccccc21)Nc1c(F)cccc1-n1cccn1,C66953084_decoy,HS90A,Decoy,0.0,-8.38209,-5.73,-1.63,-5.655626756716599
COC(=O)Nc1cc(NC(=O)N[C@@H]2CCCCc3ccccc32)ccc1F,C67321334_decoy,HS90A,Decoy,0.0,-9.27401,-6.53,-1.09,-6.673762893302697
CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H](O)c1ccc2ccccc2c1,C67408062_decoy,HS90A,Decoy,0.0,-9.34361,-7.6,-2.16,-8.179586522284701
O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)NC12CC3CC(CC(C3)C1)C2,C67606728_decoy,HS90A,Decoy,0.0,-10.9051,-6.37,-2.42,-6.679886755741879
Cc1cc(C)c(-n2c(=O)[nH]c(O)c([C@H]3[NH2+]CCc4ccccc43)c2=O)c(C)c1,C03984873_decoy,HS90A,Decoy,0.0,-8.69023,-9.0,-0.58,-8.134507784350966
CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(C)cc3C)c2C(N)=O)C1,C04301472_decoy,HS90A,Decoy,0.0,-8.13373,-5.33,-3.66,-5.814232777194093
O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1cc(Cl)cc(Cl)c1,C04702827_decoy,HS90A,Decoy,0.0,-9.80156,-8.19,-0.82,-9.299119982422727
Cc1sc(NC(=O)C[NH+]2CC=C(c3ccc(F)cc3)CC2)c(C(N)=O)c1C,C05000595_decoy,HS90A,Decoy,0.0,-9.38685,-8.45,-0.64,-7.884343629081842
O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1[C@H]1[NH2+]CCc2ccccc21,C02355842_decoy,HS90A,Decoy,0.0,-8.88556,-8.54,-1.59,-7.295677466909728
Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,C05190871_decoy,HS90A,Decoy,0.0,-11.544,-8.73,-3.86,-10.713658768651152
Oc1ccc[nH+]c1N[C@@H](c1ccc(F)cc1)c1ccc2cccnc2c1O,C05556312_decoy,HS90A,Decoy,0.0,-9.45157,-10.57,-1.08,-10.53510628889637
Cc1ccccc1[C@@H](C)NC(=O)C[NH+]1Cc2ccccc2C[C@@H]1C(N)=O,C09495855_decoy,HS90A,Decoy,0.0,-7.75127,-10.87,-0.13,-8.876923722383651
C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CC[C@@H]2CCCC[C@@H]2C1,C09638454_decoy,HS90A,Decoy,0.0,-9.6062,-8.52,-2.84,-8.058049192054277
[NH3+]CCNc1nc(COc2ccccc2)nc2sc3c(c12)CCCC3,C13998641_decoy,HS90A,Decoy,0.0,-9.95075,-9.94,-1.46,-9.530181093111604
NC(=O)[C@@H]1CCCC[NH+]1CC(=O)Nc1ccccc1Sc1ccccc1,C14021048_decoy,HS90A,Decoy,0.0,-7.8835,-8.85,-0.06,-8.80616422515256
O[C@H](C[NH2+]C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1,C15668963_decoy,HS90A,Decoy,0.0,-9.38562,-9.36,-1.82,-9.99469308559369
NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1,C04725220_decoy,HS90A,Decoy,0.0,-9.15489,-5.09,-0.32,-5.695896830604357
C=CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1,C26462687_decoy,HS90A,Decoy,0.0,-9.5198,-6.02,-3.58,-7.080103568639134
CCC[NH+]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1,C36628559_decoy,HS90A,Decoy,0.0,-8.47316,-4.93,-0.54,-5.51468058716065
Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314,C03802871_decoy,HS90A,Decoy,0.0,-9.31044,-6.04,-1.46,-6.032649589756436
Cc1cc[nH+]c(N[C@H](c2cccc(O)c2)c2ccc3ccc(C)nc3c2O)c1,C04164762_decoy,HS90A,Decoy,0.0,-10.0326,-10.5,-1.74,-10.900407582603655
CNc1[nH+]c2c(s1)C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)NC3CC3)[C@H](O)[C@H]1[C@@H]2C,C43548304_decoy,HS90A,Decoy,0.0,-10.3439,-6.62,-1.77,-7.514840008242909
O[C@@H](C[NH2+]C[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1,C44830863_decoy,HS90A,Decoy,0.0,-9.75862,-8.27,-2.81,-9.706010563454026
O=C(NNC(=O)c1cc2c(s1)CCCCC2)NC1CC[NH+](C2CC2)CC1,C45410466_decoy,HS90A,Decoy,0.0,-10.1928,-6.32,-3.53,-5.534527277011216
C[NH+](C)[C@H](CNC(=O)NNc1c(F)c(F)c(F)c(F)c1F)c1ccsc1,C46347533_decoy,HS90A,Decoy,0.0,-7.30028,-7.16,-1.17,-7.499250955127408
O=C(NCC1([NH+]2CCSCC2)CCCC1)NNc1ccc(F)cc1,C47009010_decoy,HS90A,Decoy,0.0,-8.71355,-5.78,-4.25,-6.018867391884642
Nc1nc2c(c(N3C[C@H]4CCC[NH2+][C@H]4C3)n1)CCCC[C@H]2c1ccccc1,C49045940_decoy,HS90A,Decoy,0.0,-7.85291,-5.64,-1.05,-4.608115103628476
CCC[NH2+][C@@H](c1cc2[nH]c(=O)[nH]c2cc1Br)[C@H]1CCCO1,C52094711_decoy,HS90A,Decoy,0.0,-8.66328,-6.23,-0.86,-7.587634093778691
C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NNC(=O)Cc2ccc(F)cc2)C1,C54805322_decoy,HS90A,Decoy,0.0,-8.67899,-8.22,-4.18,-6.846592632483146
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1,C55027554_decoy,HS90A,Decoy,0.0,-8.30527,-9.21,-2.38,-8.698820461128859
CC(C)[C@H](C)NC(=O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1,C55028259_decoy,HS90A,Decoy,0.0,-8.04704,-7.86,-4.12,-8.427239758696395
CC1(C)CC(NCc2c(O)ccc3c4c(c(=O)oc23)CCC4)CC(C)(C)[NH2+]1,C20573651_decoy,HS90A,Decoy,0.0,-9.11314,-10.36,-1.55,-10.118521619288764
C=C1C=C([O-])N2C(=NC(NCC[NH+]3CCCCC3)=[NH+][C@H]2[C@@H]2CC=CCC2)N1,C59619522_decoy,HS90A,Decoy,0.0,-8.89534,-6.27,-0.93,-6.700600371374507
NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1,C59935424_decoy,HS90A,Decoy,0.0,-8.48166,-7.16,-2.07,-6.798069577718774
O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCCCC1,C59993702_decoy,HS90A,Decoy,0.0,-9.478,-6.13,-3.02,-6.222472906350287
C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1,C62580154_decoy,HS90A,Decoy,0.0,-8.92365,-9.17,-4.98,-8.920048605627937
C[C@H]1CCc2c(sc(NC(=O)CCC3=c4ccccc4=[NH+]C3)c2C(N)=O)C1,C63187816_decoy,HS90A,Decoy,0.0,-8.3083,-9.25,-0.82,-7.738986417838944
CCCCCCN1C(=O)NC(=O)[C@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@@H]1O,C63373481_decoy,HS90A,Decoy,0.0,-8.21234,-5.11,-0.43,-4.716246793392348
CNC(=O)c1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1C,C63390786_decoy,HS90A,Decoy,0.0,-8.32154,-7.92,-1.78,-7.340369876969171
O=C(Nc1ccccc1)Nc1cccc(C2=NO[C@H]([C@@H]3C=c4ccccc4=[NH+]3)N2)c1,C63617923_decoy,HS90A,Decoy,0.0,-9.22767,-8.06,-2.29,-5.655061368405439
Cc1ccc2c(c1)=C(CCN/C(N)=N/S(=O)(=O)c1ccccc1)[C@H](C)[NH+]=2,C63676494_decoy,HS90A,Decoy,0.0,-7.59683,-10.31,-4.03,-10.680371700213472
O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)[C@@H]1SNN[C@H]1c1ccccc1,C63795976_decoy,HS90A,Decoy,0.0,-9.70158,-9.96,-4.26,-9.657972886885473
C[C@H]1CCCC[NH+]1[C@@H](C)CNC(=O)NCC(=O)Nc1cccc(F)c1,C51272095_decoy,HS90A,Decoy,0.0,-8.86087,-7.79,-1.67,-6.369786011321646
Cc1[nH]c(=O)c(C#N)cc1[C@H]1[NH2+][C@H](C2CC2)NN1c1ccc(Cl)cc1,C65499380_decoy,HS90A,Decoy,0.0,-8.63559,-5.86,-0.49,-5.461880701014414
N/C(NCc1ccc(-c2ccc(Br)cc2)o1)=[NH+]\C[C@@H]1CCCO1,C66244241_decoy,HS90A,Decoy,0.0,-9.83775,-8.5,0.52,-9.936533634862249
CC(C)=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CCCc3ccccc32)CC1,C66926708_decoy,HS90A,Decoy,0.0,-8.35337,-6.2,-2.5,-7.563160577667347
C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,C66954004_decoy,HS90A,Decoy,0.0,-8.54896,-7.79,-2.16,-11.257264326937554
C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NNC(=O)CC2CCCCC2)C1,C67064868_decoy,HS90A,Decoy,0.0,-7.62172,-6.22,-5.56,-5.830862974911874
Cc1cccc(C(=O)NNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1,C67380900_decoy,HS90A,Decoy,0.0,-7.74669,-7.51,-1.57,-6.942543413004995
CC(C)NC(=O)C[NH+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1,C67401522_decoy,HS90A,Decoy,0.0,-9.83498,-8.62,-3.47,-8.74558313322421
Cc1ccsc1C(=O)NNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1,C67408012_decoy,HS90A,Decoy,0.0,-6.90804,-5.03,-4.18,-4.774314582012925
O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)NNC(=O)c1ccccc1,C67456774_decoy,HS90A,Decoy,0.0,-8.90388,-8.39,-1.05,-8.161870150288836
O=C(NC[C@H](O)c1ccc2ccccc2c1)NC1CC[NH+](CC(F)F)CC1,C67479625_decoy,HS90A,Decoy,0.0,-9.42158,-6.97,-1.31,-6.184017918761585
O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)NNc1ccc(Cl)nn1,C67480893_decoy,HS90A,Decoy,0.0,-9.28242,-6.38,-1.13,-6.528838054240808
N#CC1C(N)=NC(SCC(=O)Nc2ccccc2)=C(C(N)=O)C12CCCCC2,C04135580_decoy,HS90A,Decoy,0.0,-8.10044,-6.51,-1.73,-5.66019995555597
OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)cc23)[C@H](O)[C@@H](O)[C@H]1O,C04521284_decoy,HS90A,Decoy,0.0,-6.05422,-6.12,-0.91,-5.343478396250799
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)cccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C04565978_decoy,HS90A,Decoy,0.0,-6.42936,-9.83,-0.69,-7.955855098638216
O=C(C[C@@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=O)Nc1ccccc1,C02250505_decoy,HS90A,Decoy,0.0,-7.70591,-10.47,-1.45,-7.392043521861531
O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)Nc1ccccc1F,C01754259_decoy,HS90A,Decoy,0.0,-7.66017,-10.65,-2.96,-8.10867585602996
CCOC(=O)[C@@H]1CC[C@@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](O)CC[C@]4(CO)[C@@H]3[C@@H](O)C[C@]12C,C05247504_decoy,HS90A,Decoy,0.0,-9.96963,-5.2,-1.38,-6.323925833965437
O=c1nc(NCCc2c[nH]c3ccccc23)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O,C05496493_decoy,HS90A,Decoy,0.0,-8.33962,-10.33,-2.23,-7.769947644980125
NNC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1,C05808988_decoy,HS90A,Decoy,0.0,-8.60186,-8.25,-1.03,-8.644550950964135
Cc1c(NS(=O)(=O)c2ccc(N)c(N)c2)c(=O)n(-c2ccccc2)n1C,C03885519_decoy,HS90A,Decoy,0.0,-7.5109,-7.3,-1.01,-6.439804741714
NC(=O)C(=O)N/N=C(\C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1,C06576592_decoy,HS90A,Decoy,0.0,-8.12099,-6.36,-1.56,-5.876583667646164
NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O,C08880556_decoy,HS90A,Decoy,0.0,-6.97164,-9.37,-2.15,-6.458348583948189
Nc1cc(N)nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1,C09119734_decoy,HS90A,Decoy,0.0,-9.04112,-7.5,-0.73,-7.8708309207909455
Nc1nc(SCC(=O)Nc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1cccs1,C02712440_decoy,HS90A,Decoy,0.0,-10.3959,-8.81,-1.68,-9.231763627051189
Nc1nc(SCC(=O)NCc2ccco2)[nH]c(=O)c1NC(=O)c1cccs1,C02712465_decoy,HS90A,Decoy,0.0,-10.4762,-8.28,-2.98,-8.783914920667176
C[C@]1(Oc2c[nH]c3cc(Cl)ccc23)O[C@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O,C09915707_decoy,HS90A,Decoy,0.0,-6.66522,-4.85,-0.98,-4.381531664881387
C[C@@]1(Oc2c[nH]c3ccccc23)O[C@](C)(C(=O)O)[C@@](C)(O)[C@@](C)(O)[C@@]1(C)O,C09970291_decoy,HS90A,Decoy,0.0,-5.72487,-5.38,-2.24,-4.225683546850884
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)ccc21,C12429155_decoy,HS90A,Decoy,0.0,-8.63252,-8.88,-2.31,-7.565360206019028
NC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(=O)[nH]c2)n1,C12440102_decoy,HS90A,Decoy,0.0,-10.3461,-8.82,-1.01,-10.629526609962248
Nn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccccc1F,C12949092_decoy,HS90A,Decoy,0.0,-10.076,-10.46,-2.07,-7.798400261152924
O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@H](CCC[C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c2[nH]c2ccccc32)[NH2+]1,C16525498_decoy,HS90A,Decoy,0.0,-9.42959,-10.08,-1.59,-9.902220447038909
OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(I)cc23)[C@@H](O)[C@H](O)[C@H]1O,C22061475_decoy,HS90A,Decoy,0.0,-5.963,-6.88,-0.13,-5.549161757003216
Nc1nc(N)nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1,C16097240_decoy,HS90A,Decoy,0.0,-9.73822,-7.71,-1.74,-7.207227616974135
C[C@@H](Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NC(=O)NC1CC1,C29718905_decoy,HS90A,Decoy,0.0,-9.57213,-8.39,-4.42,-7.535581132166759
Cc1ccccc1[C@H](CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)NC(N)=O,C32448558_decoy,HS90A,Decoy,0.0,-7.78991,-8.63,-3.6,-6.377646280121815
NC(=O)c1c(NC(=O)CN2Cc3ccccc3C[C@@H]2C(N)=O)sc2c1CCC2,C35343908_decoy,HS90A,Decoy,0.0,-9.804,-8.43,-3.64,-10.227613130056527
O=C(/C=C/c1ccc(Cl)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C37246189_decoy,HS90A,Decoy,0.0,-8.65146,-9.13,-1.89,-9.47658306212679
Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cc(C)on3)[nH]c2=O)cc1,C12033303_decoy,HS90A,Decoy,0.0,-10.7281,-7.99,-1.9,-7.393182668166412
NN1[C@@H](SCC(=O)Nc2cccc(F)c2)NN[C@@H]1[C@@H]1C=C(c2ccccc2)N=N1,C38994490_decoy,HS90A,Decoy,0.0,-9.57087,-5.17,-1.68,-5.213645947215396
NS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1,C39558444_decoy,HS90A,Decoy,0.0,-9.8914,-6.09,-1.46,-6.638991674896905
C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O,C39559035_decoy,HS90A,Decoy,0.0,-7.59433,-9.41,-4.05,-8.671920165198628
NN1[C@@H](SCC(=O)Nc2ccccn2)NN[C@@H]1[C@@H]1C=C(c2ccccc2)N=N1,C39590961_decoy,HS90A,Decoy,0.0,-9.35157,-7.04,-2.51,-5.542708217983074
CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1c(N)nnc1SCC#N,C40173509_decoy,HS90A,Decoy,0.0,-9.31503,-7.37,-1.13,-8.506571062830224
Cc1ccc(S(=O)(=O)NNc2ncnc(Nc3cc(C)on3)c2N)cc1,C40681069_decoy,HS90A,Decoy,0.0,-8.58438,-8.74,-2.99,-7.07970570090009
Cc1ccc(S(=O)(=O)NNc2ncnc(Nc3cccc(C)n3)c2N)cc1,C40685675_decoy,HS90A,Decoy,0.0,-9.58924,-9.9,-1.27,-7.230258075829919
Nc1c(NNC(=O)c2cccnc2)ncnc1Nc1ccc(Br)cn1,C40779842_decoy,HS90A,Decoy,0.0,-9.94734,-8.55,-4.23,-7.637203120072765
Nc1c(NNC(=O)c2ccccn2)ncnc1NC(c1ccccc1)c1ccccc1,C40783672_decoy,HS90A,Decoy,0.0,-9.58194,-7.22,-2.87,-8.022523138993352
Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1/C(=N/NC(N)=S)CCC2,C40824597_decoy,HS90A,Decoy,0.0,-9.12453,-6.98,-2.59,-6.650912687206781
Cc1c(C(=O)NNC(=O)COc2ccccc2)oc2c1/C(=N/NC(N)=S)CCC2,C40824621_decoy,HS90A,Decoy,0.0,-10.257,-9.7,-3.4,-8.890685586339746
CC(C)Nc1nc(N)c([N+](=O)[O-])c(Nc2sc3c(c2C(N)=O)CCC3)n1,C41301761_decoy,HS90A,Decoy,0.0,-8.83246,-8.36,0.06,-13.118277209213376
NC(=O)C1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc4cccnc34)n2)CC1,C41333859_decoy,HS90A,Decoy,0.0,-8.61236,-9.96,-0.84,-8.69813685258144
Nn1cnnc1N/N=C/c1cc(Br)c(O)c(Br)c1O,C06828392_decoy,HS90A,Decoy,0.0,-9.38935,-7.89,-0.04,-8.32263759564455
[H]/N=C(/N/C(N)=N/c1c(C)n(C)n(-c2ccccc2)c1=O)Nc1ccc([N+](=O)[O-])cc1,C15636687_decoy,HS90A,Decoy,0.0,-8.38391,-5.81,-1.18,-5.873478255129216
C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)NC(=O)NC(C)(C)C,C56159683_decoy,HS90A,Decoy,0.0,-8.82056,-7.09,-3.42,-6.579965702810879
[NH3+]CC(=O)NCC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825400_decoy,HS90A,Decoy,0.0,-7.2963,-6.12,-0.59,-7.278815198800919
CC1=C(CCC(=O)N[C@@H]2S[C@@H](Nc3ccc(C)cc3)N[C@H]2C(N)=O)[C@@H](C)N=N1,C63349326_decoy,HS90A,Decoy,0.0,-9.68098,-7.25,-2.15,-6.867832216580883
CN1C(=O)C(/C(N)=N/OCC(=O)NCCc2cccs2)=C(N)C12CCCC2,C63456286_decoy,HS90A,Decoy,0.0,-9.56427,-8.33,-3.12,-7.563532458943357
CC1CCC(NC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)CC1,C63456325_decoy,HS90A,Decoy,0.0,-9.06002,-9.51,-2.14,-7.982674983441667
NC(=O)NC(=O)CNc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(F)(F)F,C63468324_decoy,HS90A,Decoy,0.0,-8.96816,-7.07,-2.76,-6.512442382141163
CCC(=O)N[C@H](C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1,C66608068_decoy,HS90A,Decoy,0.0,-8.64369,-8.27,-2.65,-7.764047838514459
NC(=O)Cc1ccc(NC(=O)C(=O)NC2[C@@H]3CCC[C@H]2C[NH+](C2CC2)C3)cc1,C67415081_decoy,HS90A,Decoy,0.0,-8.41033,-5.44,-3.89,-4.481594513513258
Cc1sc(NC(=O)/C=C/c2cccc3ccccc23)c(C(N)=O)c1C,C01153626_decoy,HS90A,Decoy,0.0,-7.25979,-7.19,-3.34,-6.293216789054338
CCC[C@H]1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C(N)=O)C1,C00996212_decoy,HS90A,Decoy,0.0,-9.75629,-7.53,-2.35,-5.8478654734162765
CCC[C@@H]1CCc2c(sc(NC(=O)[C@@]3(C)CC3(Cl)Cl)c2C(N)=O)C1,C02103252_decoy,HS90A,Decoy,0.0,-10.7005,-5.93,-1.97,-5.633011776648534
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(F)c3)c2C(N)=O)C1,C02742476_decoy,HS90A,Decoy,0.0,-8.75764,-6.45,-2.62,-5.607415971841913
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCl)c2C(N)=O)C1,C05501467_decoy,HS90A,Decoy,0.0,-10.1564,-5.2,-1.46,-7.637031217203264
Nc1c2c3c(sc2nc(=S)n1C(=O)NC(=S)c1ccccc1)CCCC3,C06133200_decoy,HS90A,Decoy,0.0,-5.41144,-5.3,-3.46,-3.6919947785679024
NC(=O)c1c(NC(=O)Cc2cccc(C(F)(F)F)c2)sc2c1CCCC2,C06509499_decoy,HS90A,Decoy,0.0,-7.73668,-9.38,-1.89,-7.807859807595581
Nc1c(C(=O)NCCc2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)ccc12,C05660078_decoy,HS90A,Decoy,0.0,-9.83819,-9.42,-0.98,-7.348018628071945
C=C(C)COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13640260_decoy,HS90A,Decoy,0.0,-9.55822,-6.27,-0.45,-5.082593784577569
C=C(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2,C13640266_decoy,HS90A,Decoy,0.0,-10.5142,-5.74,-1.21,-5.221025281943662
NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2,C14469530_decoy,HS90A,Decoy,0.0,-9.40369,-8.78,-1.17,-7.478584295213494
O=C(NC1CCCCC1)c1cccc2c1N[C@@H](c1ccccc1O)[C@H]1CC=C[C@H]21,C14474140_decoy,HS90A,Decoy,0.0,-9.32467,-10.56,-0.88,-13.629062975284988
NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3ccccc3c1)N2,C14475056_decoy,HS90A,Decoy,0.0,-9.70972,-11.64,-1.56,-9.26883420636945
NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1OCc1ccccc1)N2,C14476356_decoy,HS90A,Decoy,0.0,-9.80096,-11.23,-0.98,-10.18841779356626
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc13)N2,C14544562_decoy,HS90A,Decoy,0.0,-8.50212,-5.35,-1.4,-4.091003359792797
CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc13)N2,C14544564_decoy,HS90A,Decoy,0.0,-9.46393,-10.23,-0.03,-8.91757739106985
CC1CCN(C(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@@H](c2ccc(O)cc2O)N3)CC1,C20682342_decoy,HS90A,Decoy,0.0,-9.88599,-9.23,-2.3,-7.85275999198799
Cc1cc(C)c([C@H]2Nc3ccc(S(N)(=O)=O)cc3[C@@H]3C=CC[C@@H]23)c(C)c1,C20691143_decoy,HS90A,Decoy,0.0,-8.60275,-8.19,-1.78,-6.483159461192953
NC(=O)c1cccc2c1N[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CC=C[C@@H]21,C20710432_decoy,HS90A,Decoy,0.0,-8.39178,-8.53,-1.18,-12.8634698940878
Cc1sc2nc(CSc3ccc(Br)cc3)nc(NN)c2c1C,C22142763_decoy,HS90A,Decoy,0.0,-10.1562,-7.15,-1.17,-7.450321360302467
Cc1cc(N)cc(S(=O)(=O)Nc2ccc(Br)cc2F)c1C,C22151498_decoy,HS90A,Decoy,0.0,-7.99579,-5.12,-0.88,-3.90240883273651
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C)NC(=S)N1,C26920078_decoy,HS90A,Decoy,0.0,-9.20605,-8.3,-2.15,-8.978222090734594
Cc1cccc(NC(=O)Nc2cccc(-c3cc4cc(F)ccc4[nH]3)c2)c1,C33123692_decoy,HS90A,Decoy,0.0,-7.76617,-6.29,-2.49,-4.645038027375336
Cc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2N)c(C)c1,C37063578_decoy,HS90A,Decoy,0.0,-8.19953,-6.42,-1.35,-5.8427983069427
Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)c(N)c1,C37063630_decoy,HS90A,Decoy,0.0,-7.51527,-5.08,-1.72,-4.765564682501774
CC(C)CCNS(=O)(=O)c1c(N)cc(Br)cc1Br,C37063863_decoy,HS90A,Decoy,0.0,-8.3984,-8.08,-3.11,-8.202644233660607
Cc1cc(Br)ccc1Nc1ccc(N)c(OCC2CC2)n1,C37067282_decoy,HS90A,Decoy,0.0,-8.27544,-7.52,-1.07,-7.001051899257354
C[C@H](Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1ccc(Cl)cc1,C37129772_decoy,HS90A,Decoy,0.0,-8.31161,-9.31,-0.48,-8.313010904738114
Cc1ccc([C@@H](C)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1,C37129822_decoy,HS90A,Decoy,0.0,-8.63175,-8.62,-1.62,-9.863020545988972
C[C@@H](Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cccc(F)c1,C37129864_decoy,HS90A,Decoy,0.0,-9.17166,-9.72,-0.21,-9.667439241982796
Cc1cc(Br)ccc1N[C@@H](C)c1cccc(S(N)(=O)=O)c1,C37196941_decoy,HS90A,Decoy,0.0,-9.69451,-8.61,-2.4,-11.88702794550188
N#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(F)cc2)c1N,C00803989_decoy,HS90A,Decoy,0.0,-8.51287,-8.72,0.23,-12.966020342002968
Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)ccc1N,C37928958_decoy,HS90A,Decoy,0.0,-7.90832,-8.65,-1.05,-7.486613686688175
Cc1cc(Br)cc(N)c1NS(=O)(=O)C1CCCCC1,C38137139_decoy,HS90A,Decoy,0.0,-8.14689,-5.52,-0.91,-6.447748917782287
Cc1c(N)cccc1S(=O)(=O)N[C@H](C)c1ccccc1Br,C40316728_decoy,HS90A,Decoy,0.0,-7.18645,-7.91,-3.95,-7.280289727119509
Cc1cccc(N)c1S(=O)(=O)N[C@H](C)c1cccc(Br)c1,C40347109_decoy,HS90A,Decoy,0.0,-7.97886,-7.8,-1.59,-7.029173862741202
O=C(c1ccccc1)[C@@H]1[C@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F,C42652397_decoy,HS90A,Decoy,0.0,-8.78075,-5.07,-1.39,-4.231914265528343
O=C(c1ccccc1)[C@@H]1[C@@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F,C42652399_decoy,HS90A,Decoy,0.0,-7.41949,-5.42,0.1,-4.160580456355205
O=C(Nc1cc(F)ccc1F)N[C@H]1CCc2[nH]c3ccccc3c2C1,C44923994_decoy,HS90A,Decoy,0.0,-9.85723,-5.34,-1.2,-4.82714697477531
O=C(NNC(=S)NC1CCCCC1)c1cc(F)cc(Br)c1,C46768350_decoy,HS90A,Decoy,0.0,-8.94328,-8.47,0.24,-7.274431366539337
Cc1c(F)cc(C(N)=O)cc1NC(=O)/C=C\c1cccc2ccccc12,C47381755_decoy,HS90A,Decoy,0.0,-7.8718,-9.7,-1.88,-8.063787325427123
Cc1cc(C)c(OCC(=O)Nc2cccc(Br)c2)c(N)c1,C50226148_decoy,HS90A,Decoy,0.0,-8.08973,-9.75,-1.18,-7.789656468330543
Cc1cc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)ccc1F,C50545453_decoy,HS90A,Decoy,0.0,-7.8125,-10.04,-0.91,-11.630803172826903
CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1N)c1ccccc1,C51626273_decoy,HS90A,Decoy,0.0,-6.90592,-7.18,-2.62,-6.802897892770215
Cc1cc(C)cc([C@@H](O)c2cc3[nH]c(=O)[nH]c3cc2Br)c1,C52094948_decoy,HS90A,Decoy,0.0,-8.16551,-6.41,-0.08,-5.522513370719591
CC[C@@H](C)CNS(=O)(=O)c1c(N)cc(Br)cc1Br,C54466539_decoy,HS90A,Decoy,0.0,-8.08385,-7.62,-0.73,-7.384591270895784
C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1C(F)(F)F,C57006016_decoy,HS90A,Decoy,0.0,-6.46451,-7.12,-2.93,-5.995963353191221
Cc1cccc(NC(=S)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1C,C06632353_decoy,HS90A,Decoy,0.0,-8.8884,-5.51,-1.35,-6.511935144843988
Nc1ccc(I)cc1-c1n[nH]c(C2CCCCC2)n1,C62824380_decoy,HS90A,Decoy,0.0,-8.76609,-6.99,0.04,-5.980699189174861
Cc1ccc([C@@H](C)NC(=O)NC[C@H](O)c2ccc3ccccc3c2)s1,C67632582_decoy,HS90A,Decoy,0.0,-9.95111,-8.7,-1.27,-9.009990625088877
C[C@H]1CCc2c(sc(Nc3nc4ccc(F)cc4s3)c2C(N)=O)C1,C04137780_decoy,HS90A,Decoy,0.0,-10.876,-5.25,-2.04,-5.5602226795134255
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2F)NC(=S)N1,C00708992_decoy,HS90A,Decoy,0.0,-9.19154,-8.96,-0.51,-9.161729672703586
NC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCCC2,C04176873_decoy,HS90A,Decoy,0.0,-8.29309,-8.78,-0.43,-5.640177845744503
C[C@@]12CCC[C@H]1[C@@H]1CCC3=C/C(=N/NC(N)=O)CC[C@]3(C)[C@@H]1CC2,C05275726_decoy,HS90A,Decoy,0.0,-8.46183,-5.53,-1.3,-4.508451335628479
CCc1cc2c(cc1/C(C)=N/NC(N)=O)C(C)(C)CCC2(C)C,C00314773_decoy,HS90A,Decoy,0.0,-8.39338,-10.26,-1.73,-9.344758637182792
Nc1sc(-c2ccccc2)cc1C(=O)N/N=C/c1ccccc1,C12340774_decoy,HS90A,Decoy,0.0,-10.4618,-7.6,-0.34,-6.705425294116177
N#Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2,C13639680_decoy,HS90A,Decoy,0.0,-9.01286,-5.94,-0.76,-4.642338797512553
CC(C)C(/C=C\c1ccc(Br)cc1)=N\NC(N)=O,C17219131_decoy,HS90A,Decoy,0.0,-7.64759,-5.15,-1.28,-4.687811187955387
C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Br,C20094911_decoy,HS90A,Decoy,0.0,-7.84464,-9.04,-1.82,-8.20906910172977
Nc1ncc(C(F)(F)F)cc1Nc1ccc(N2CCCC2)cc1,C20318490_decoy,HS90A,Decoy,0.0,-6.73316,-7.63,-0.88,-6.133272126802309
Cc1c(N)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl,C21023818_decoy,HS90A,Decoy,0.0,-8.12211,-7.05,-2.79,-6.896349360767564
Nc1ccccc1OCC(=O)Nc1cccc2c1CCCC2,C22238857_decoy,HS90A,Decoy,0.0,-7.41984,-5.67,-0.1,-5.480988481133638
Cc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O,C06451197_decoy,HS90A,Decoy,0.0,-8.55066,-8.31,-0.55,-4.675081036812199
O=c1[nH]c2cc(Br)c(NCc3ccc(Cl)cc3)cc2[nH]1,C35042199_decoy,HS90A,Decoy,0.0,-9.29412,-8.97,-0.62,-8.6930121509487
Cc1cccc(N)c1S(=O)(=O)Nc1ccccc1Br,C35346842_decoy,HS90A,Decoy,0.0,-6.78966,-7.48,-1.69,-7.388269586262539
N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1,C36887804_decoy,HS90A,Decoy,0.0,-8.73794,-7.91,0.2,-5.522653594059849
Nc1c(C(=O)NC2CCCCC2)sc(=S)n1C1CCCCC1,C13547198_decoy,HS90A,Decoy,0.0,-8.39642,-6.47,-2.0,-7.064863943018729
CC[C@H](C)[C@@H](C)Nc1cc2[nH]c(=O)[nH]c2cc1Br,C37129704_decoy,HS90A,Decoy,0.0,-7.5802,-6.62,0.29,-7.160413713924602
NS(=O)(=O)Cc1ccc(NC2CCCCCCC2)cc1,C37136997_decoy,HS90A,Decoy,0.0,-7.53689,-4.61,-2.14,-4.035221629643431
C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1Cl,C37217059_decoy,HS90A,Decoy,0.0,-7.82926,-9.36,-1.34,-7.25149544452127
Cc1c(N[C@H]2C[C@H](C)CC(C)(C)C2)cccc1S(N)(=O)=O,C37787833_decoy,HS90A,Decoy,0.0,-8.06192,-6.71,-1.13,-6.233276844509506
Oc1ccccc1[C@@H]1CC[C@@]2(C1)[C@H](c1ccccc1O)CCCN2O,C39510450_decoy,HS90A,Decoy,0.0,-9.27299,-9.72,-1.54,-8.886600853676708
Nc1ccc2oc(C(=O)Nc3ccc(Br)cc3F)cc2c1,C40297029_decoy,HS90A,Decoy,0.0,-7.65483,-8.66,-1.26,-6.052289308801972
N#Cc1c(NC(=O)c2sccc2N)sc2c1CCCCC2,C40311093_decoy,HS90A,Decoy,0.0,-8.59399,-6.39,-1.39,-6.991714349089614
Cc1cc(NC(=O)c2cc3c(s2)CCCCC3)ncc1N,C41040553_decoy,HS90A,Decoy,0.0,-9.62225,-7.26,-2.12,-6.168017276341022
COC(=O)c1ccc(Nc2ccc(Br)cc2F)c(N)c1,C41080721_decoy,HS90A,Decoy,0.0,-7.39825,-4.59,-0.69,-3.643764372210287
NC(=S)c1cc2c(nc1Nc1nc3c(s1)CCC3)CCC2,C43408910_decoy,HS90A,Decoy,0.0,-9.47077,-5.32,-1.23,-4.110810291131189
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)Nc1cccc(F)c1)CC3,C44924274_decoy,HS90A,Decoy,0.0,-8.99861,-5.67,-1.64,-5.337264098835719
Cc1cc(N)c(S(=O)(=O)NC2(C)CCCCC2)cc1C,C45040605_decoy,HS90A,Decoy,0.0,-7.14013,-8.41,0.06,-7.37980468553992
O=C(NNc1ccc(F)cc1Br)NC1CCCCC1,C49269414_decoy,HS90A,Decoy,0.0,-7.29584,-8.13,-0.72,-5.366199137915954
CSc1nc(N)cc(Nc2ccc(Br)cc2)n1,C49467377_decoy,HS90A,Decoy,0.0,-8.28693,-7.72,0.12,-6.6742816827072975
CC(C)(C)N1C=[NH+][C@@H](c2ccc(OC(F)(F)F)cc2)C1=[NH2+],C50122344_decoy,HS90A,Decoy,0.0,-5.23839,-4.12,-2.04,-2.9687756910968264
CC(C)(C)c1cc(CS(N)(=O)=O)cc(C(C)(C)C)c1O,C50349981_decoy,HS90A,Decoy,0.0,-8.40799,-8.06,-1.0,-9.12226478708482
Cc1ccc(N(C)C(=O)c2cc(Cl)ccc2NN)c(C)c1,C51117176_decoy,HS90A,Decoy,0.0,-7.34507,-7.13,-1.17,-7.781499024827939
CC(C)(C)c1cc(NN)nc(Cc2cccc(Br)c2)n1,C51152853_decoy,HS90A,Decoy,0.0,-8.72211,-7.33,-1.75,-8.144315717832685
Cc1c(N)cccc1S(=O)(=O)N[C@H](C)C1CCCCC1,C52333369_decoy,HS90A,Decoy,0.0,-7.40524,-8.63,-0.37,-9.913988634025973
Cc1ccc(Br)cc1Nc1nccnc1C(N)=S,C54397484_decoy,HS90A,Decoy,0.0,-8.81598,-4.42,-1.2,-4.906887985417964
Nc1cc(-c2ccc(Cl)cc2)nn1[C@H]1CCCCC[C@@H]1O,C54600620_decoy,HS90A,Decoy,0.0,-7.25711,-5.04,-0.66,-3.3408486622444875
NNc1nc(Cc2ccccc2Br)nc2c1CCCC2,C55335963_decoy,HS90A,Decoy,0.0,-8.61344,-5.1,-1.28,-5.022183010943648
Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)cc2)c1C,C56519882_decoy,HS90A,Decoy,0.0,-7.42373,-9.57,-2.93,-7.117028716976176
Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)cc2)c1C,C56519883_decoy,HS90A,Decoy,0.0,-7.6891,-8.72,-1.3,-7.70329171964207
Cc1nnc(Nc2cc(F)c(F)c(F)c2)c(C(N)=S)c1C,C61119994_decoy,HS90A,Decoy,0.0,-7.27692,-5.29,0.01,-5.234121831011916
NNc1ccc(Cl)c(CO[C@@H]2CCCc3ccccc32)n1,C61639954_decoy,HS90A,Decoy,0.0,-8.22448,-9.37,-1.13,-10.445941986820667
NC(=S)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1,C08579006_decoy,HS90A,Decoy,0.0,-8.90698,-5.32,-2.81,-5.013627070510944
Cc1cc2c(c(C)c1N)NC(=O)[C@H](c1ccc(C(C)C)cc1)O2,C62563867_decoy,HS90A,Decoy,0.0,-8.25338,-10.27,-2.66,-13.67397348530266
CC[C@H]1CCCC[C@@H]1Oc1cc(Cl)ccc1/C(N)=N/O,C62789632_decoy,HS90A,Decoy,0.0,-7.7153,-7.51,-1.33,-9.293592728885171
Cc1cc(S(=O)(=O)NCC2CCC(C)CC2)cc(N)c1C,C63144694_decoy,HS90A,Decoy,0.0,-8.13376,-9.0,-1.35,-8.422803069584461
Cc1cccc(NC(=O)NC[C@]2(O)CCCc3ccccc32)c1,C66906699_decoy,HS90A,Decoy,0.0,-6.20303,-10.11,-1.94,-5.421305517055969
Cc1ccc(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)c(F)c1,C67487901_decoy,HS90A,Decoy,0.0,-9.961,-6.43,-1.93,-6.136268471494042
Cc1cc(F)ccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1,C67537374_decoy,HS90A,Decoy,0.0,-8.37314,-6.04,-1.42,-5.163957812729971
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)NC(=S)N1,C00181966_decoy,HS90A,Decoy,0.0,-8.6247,-5.38,-1.42,-5.369455592678166
CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2/C(Cc1ccccc1)=N\NC(N)=O,C04701270_decoy,HS90A,Decoy,0.0,-7.50442,-5.6,-0.83,-4.794783374044752
Nc1cc(Cl)nc(N/N=C/c2c(F)c(F)c(F)c(F)c2F)n1,C04947181_decoy,HS90A,Decoy,0.0,-8.44705,-7.72,-0.57,-5.962517062576401
[H]/N=C1\SC(N)=C(C#N)[C@H](c2ccc(N(CC)CC)cc2)[C@@H]1C#N,C05321897_decoy,HS90A,Decoy,0.0,-8.97768,-4.62,-0.04,-5.66738113764888
Nc1nc(O)c(C2=c3cc(I)ccc3=NC2=O)s1,C05649687_decoy,HS90A,Decoy,0.0,-9.12365,-8.28,0.04,-6.202502881963858
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(O)c1[C@H]2c1ccccc1F,C12348642_decoy,HS90A,Decoy,0.0,-8.54715,-6.37,-1.54,-3.921409474693665
Cc1nc2sc(C(=O)NC[C@H]3CCCO3)c(N)c2c2c1CCCC2,C09421872_decoy,HS90A,Decoy,0.0,-9.77869,-9.04,-0.73,-7.915090228142195
Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)c1,C14350648_decoy,HS90A,Decoy,0.0,-8.42576,-6.95,-1.09,-5.145918287358743
NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2,C02755827_decoy,HS90A,Decoy,0.0,-8.30576,-7.96,-1.68,-7.286917580730404
O=C1CCCC2=C1[C@@H](c1c(F)cccc1Cl)c1c(O)n[nH]c1N2,C18195496_decoy,HS90A,Decoy,0.0,-8.06439,-7.04,-0.7,-6.245444542956108
C/C(=N\NC(N)=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C,C19910785_decoy,HS90A,Decoy,0.0,-8.35174,-7.07,-2.05,-6.187672653281845
Cc1cs/c(=N\S(=O)(=O)Cc2ccc(C(N)=S)cc2)[nH]1,C21811218_decoy,HS90A,Decoy,0.0,-8.83617,-8.05,-1.57,-7.436358447981779
O=c1[nH]c2ccc(-c3csc(N[C@@H]4C[C@H]5CC[C@@H]4C5)n3)cc2[nH]1,C25069478_decoy,HS90A,Decoy,0.0,-8.75253,-8.77,-1.69,-5.76871597373516
CC[C@@H]1CN(CC(=O)Nc2c(C)cccc2C)c2ccc(N)cc2O1,C19756050_decoy,HS90A,Decoy,0.0,-8.0723,-6.88,-0.52,-7.864573286733333
Nc1cc2c(cc1NC(=O)c1ccc(Br)s1)OCCCO2,C36737949_decoy,HS90A,Decoy,0.0,-9.01454,-5.21,-0.7,-4.131821930246439
O=c1cc(CS[C@@H]2NN[C@@H](C3CCCCC3)O2)c2ccccc2[nH]1,C39980873_decoy,HS90A,Decoy,0.0,-9.08365,-9.62,-1.21,-8.826771639916425
Cc1cc2c(cc1C)N/C(=C/C(=O)N[C@@H](C)c1ccccc1)C(=O)N2,C39988328_decoy,HS90A,Decoy,0.0,-6.84711,-7.51,-0.88,-4.7226116225599375
CC1=C[C@]2(Nc3cc(C)c(C)c(Br)c3O2)C(C#N)=C(N)O1,C40545227_decoy,HS90A,Decoy,0.0,-8.40731,-5.26,-0.02,-3.509585628690268
O=C(NNc1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2c(=O)[nH]1,C42206514_decoy,HS90A,Decoy,0.0,-6.3134,-8.86,-2.04,-4.771999535908376
CC(C)(CO)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@@]4(C)[C@H]3CC[C@@]12C,C44020369_decoy,HS90A,Decoy,0.0,-8.28797,-4.78,-1.67,-5.7332570859981535
O=C(Cc1ccc(Cl)cc1)NNC(=O)N[C@@H]1CCc2ccccc21,C45306298_decoy,HS90A,Decoy,0.0,-8.4341,-9.1,-1.27,-7.328207181661001
C[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1,C47534296_decoy,HS90A,Decoy,0.0,-8.03997,-6.23,-4.01,-5.071872715200987
Cc1ccc(/C=C\C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)s1,C47534811_decoy,HS90A,Decoy,0.0,-7.4073,-5.83,-1.32,-5.970237683819051
Cc1[nH]/c(=N\S(=O)(=O)c2cc(N)cc(Cl)c2F)sc1C,C49095916_decoy,HS90A,Decoy,0.0,-7.24661,-7.46,-1.04,-7.117673907814552
O=C(NNC(=O)c1ccc(Br)cc1F)NC1CCCC1,C49430984_decoy,HS90A,Decoy,0.0,-8.8463,-4.78,-0.33,-4.864047272073143
O=C(NNC(=O)c1ccc(Br)c(F)c1)NC1CCCC1,C49458406_decoy,HS90A,Decoy,0.0,-8.66539,-5.02,-1.3,-4.882198613447276
O=C(NNC(=O)c1ccc(F)cc1Br)NC1CCCC1,C49458453_decoy,HS90A,Decoy,0.0,-7.76023,-5.11,-2.43,-4.326335095190736
NC(=S)c1ccc(S(=O)(=O)/N=c2\[nH]c3c(s2)CCC3)cc1,C49547919_decoy,HS90A,Decoy,0.0,-9.60668,-4.64,-1.3,-4.726618808001026
Nc1ccc(Br)cc1S(=O)(=O)/N=c1\[nH]c2c(s1)CCCC2,C49554704_decoy,HS90A,Decoy,0.0,-8.24367,-5.55,-1.91,-3.765373154956851
Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Br)cc1)N2,C02447868_decoy,HS90A,Decoy,0.0,-7.13193,-4.5,-0.03,-4.406716280247289
Nc1nc2n(n1)[C@@H](c1cccc3ccccc13)C[C@H](c1ccc(F)cc1)N2,C00803145_decoy,HS90A,Decoy,0.0,-8.07318,-9.79,-0.53,-7.6144321816301215
N#Cc1ccc(-c2cc3cc(Br)ccc3o2)nc1NN,C51170475_decoy,HS90A,Decoy,0.0,-8.74303,-4.96,-0.59,-4.210299426977691
O=C(C[C@@H]1NCCc2c([nH]c3ccccc23)C1=O)Nc1ccccc1,C38571129_decoy,HS90A,Decoy,0.0,-7.41321,-7.95,-0.14,-5.672190777268665
O=C(C[C@H]1CCC[NH2+]C1)Nc1c(Cl)cc(Cl)cc1C(=O)[O-],C54308491_decoy,HS90A,Decoy,0.0,-7.66335,-7.28,-0.19,-8.331805572115783
CC(C)(C)c1n[nH]c2c1[C@@H](c1cc(F)ccc1F)C(C#N)=C(N)O2,C00472343_decoy,HS90A,Decoy,0.0,-6.79195,-6.13,-2.97,-5.881798765658659
Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2CC(N)=O)c1,C56604878_decoy,HS90A,Decoy,0.0,-7.79915,-7.72,-3.06,-8.15040983270343
Cc1ccc2oc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)cc2c1,C58352742_decoy,HS90A,Decoy,0.0,-6.95396,-5.63,-0.17,-4.033689398522083
NC(=O)Nc1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1,C58457056_decoy,HS90A,Decoy,0.0,-6.2906,-9.59,-0.91,-10.834873964039517
Cc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(N)=O)c(C)c1,C29403869_decoy,HS90A,Decoy,0.0,-7.64913,-8.22,-3.27,-8.76512384938712
C[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc2[nH]c(=O)[nH]c2c1,C47557416_decoy,HS90A,Decoy,0.0,-8.10582,-9.79,-4.16,-8.779153198646442
CCC1=NN(C(=O)c2ccccc2N)[C@@](O)(c2ccc(Br)cc2)C1,C59489015_decoy,HS90A,Decoy,0.0,-7.5447,-5.45,-0.51,-4.023569220520275
Cc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3nc(N)nc3N2)cc1,C13132225_decoy,HS90A,Decoy,0.0,-7.77864,-10.23,-0.71,-5.568733982197434
C[C@@H]1O[C@H](c2ccccc2)N=C1CS[C@@H]1[NH+]=c2cc[nH+]cc2=[NH+]1,C63513590_decoy,HS90A,Decoy,0.0,-8.08884,-6.46,-1.87,-6.851912247732558
NC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1,C63806202_decoy,HS90A,Decoy,0.0,-8.28186,-11.12,-2.02,-7.067120976685717
C[C@@H]1Nc2ccc(NC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)cc2S1,C64173539_decoy,HS90A,Decoy,0.0,-10.1259,-8.86,-2.7,-12.050980216859717
Cc1[nH]c2ccc(CN/C=C3/C(=O)NC(=O)c4ccccc43)cc2c1C,C64937579_decoy,HS90A,Decoy,0.0,-9.17566,-10.79,-0.94,-8.78659926874836
O=C(CNC(=O)N[C@H]1CCc2ccccc21)Nc1cccc(F)c1,C51268260_decoy,HS90A,Decoy,0.0,-7.33422,-8.9,-2.01,-6.268434393420334
O=C1C[C@H](c2ncc[nH]2)c2cc3c(cc2N1)Nc1ccccc1CC3,C65396070_decoy,HS90A,Decoy,0.0,-8.07824,-5.81,-1.97,-4.391337731419087
Cc1ccsc1CNC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2,C46986772_decoy,HS90A,Decoy,0.0,-9.04848,-6.44,-1.39,-6.432766009311938
Cc1ccsc1C(=O)NNC(=O)N[C@H]1CCc2ccccc2C1,C67416307_decoy,HS90A,Decoy,0.0,-8.81794,-4.87,-2.23,-3.9500973745324703
NC(=S)NNC1=C2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@H]5C1(OCCO1)[C@@H]24,C03239321_decoy,HS90A,Decoy,0.0,-7.66793,-4.97,,99.0
NC(=O)NC(=O)CNc1ccccc1-c1ccccc1,C11618888_decoy,HS90A,Decoy,0.0,-6.58867,-10.12,-1.24,-7.609649335554891
NC(=O)NC(=O)CNc1ccc2c(c1)Cc1ccccc1-2,C20044755_decoy,HS90A,Decoy,0.0,-8.42395,-5.41,-0.81,-4.742861153120516
NC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1,C25884637_decoy,HS90A,Decoy,0.0,-8.1085,-7.93,-0.27,-10.873956502844418
Nc1cc(N)nc(SC[C@H]2CCCCO2)n1,C08488057_decoy,HS90A,Decoy,0.0,-7.86302,-6.75,-1.08,-5.402388798897493
Nc1nc(Nc2cccc(Cl)c2)cc(=O)[nH]1,C16990706_decoy,HS90A,Decoy,0.0,-7.10039,-7.95,0.06,-6.7066230374324585
CCCc1cc(=O)[nH]c(Nc2ccc(N)cc2)n1,C19689646_decoy,HS90A,Decoy,0.0,-6.79142,-4.95,0.24,-5.236325534439418
CCC[C@H](C)Nc1cc2nc[nH]c(=O)c2cc1N,C35081882_decoy,HS90A,Decoy,0.0,-6.41729,-6.86,0.01,-9.3341138236289
N#Cc1cccc(Nc2cc3c(cc2N)NC(=O)CC3)c1,C35341391_decoy,HS90A,Decoy,0.0,-6.86195,-9.71,-1.07,-6.279521365529407
CSc1cccc(Nc2cc3nc[nH]c(=O)c3cc2N)c1,C35383125_decoy,HS90A,Decoy,0.0,-8.90617,-9.03,-0.46,-10.973112346927996
C[C@@H](Nc1cc2c(cc1N)CCC(=O)N2)[C@H]1CCCO1,C35734543_decoy,HS90A,Decoy,0.0,-7.98951,-8.23,-0.05,-7.058886201488456
Cc1ccc(NC(=O)Nc2cccc(C#N)c2)c(N)c1,C37064705_decoy,HS90A,Decoy,0.0,-6.92686,-8.11,-1.08,-4.859861316156733
CNC(=O)NC(=O)[C@@H](C)Sc1ccc(C)cc1N,C37193176_decoy,HS90A,Decoy,0.0,-7.9468,-8.09,-2.78,-7.106981904658419
[O-]c1cc(-c2ccc(NC3CC[NH2+]CC3)cc2)n[nH]1,C38041115_decoy,HS90A,Decoy,0.0,-7.52074,-5.29,-0.11,-3.973921254043688
N/C(=N/O)c1ccccc1NC(=O)c1c(F)cccc1F,C40369046_decoy,HS90A,Decoy,0.0,-7.24165,-8.9,-1.23,-7.996592032922941
C[C@H]1C[C@H]1C(=O)N[C@H](/C(N)=N/O)C1CCCCC1,C40369656_decoy,HS90A,Decoy,0.0,-8.19126,-6.82,-0.1,-7.367314033538023
C[C@H]1C[C@@H]1C(=O)NC1(/C(N)=N/O)CCCCCCC1,C40371519_decoy,HS90A,Decoy,0.0,-7.03476,-5.04,-0.94,-4.812334056296678
C[C@@H]1C[C@@H]1C(=O)NC1(/C(N)=N/O)CCCCC1,C40372257_decoy,HS90A,Decoy,0.0,-6.8601,-4.79,-0.44,-5.52000897177402
CC[C@](C)(NC(=O)c1ccc(F)cc1)/C(N)=N/O,C40373563_decoy,HS90A,Decoy,0.0,-6.95391,-9.03,-0.64,-7.105143757738874
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1sccc1N,C40396593_decoy,HS90A,Decoy,0.0,-7.88497,-5.44,0.03,-4.330040555945972
CC(C)c1ccc(Nc2nc[nH]c(=O)c2N)cc1,C40706258_decoy,HS90A,Decoy,0.0,-7.18048,-5.92,-0.48,-6.5116998481348025
C[C@@H]([NH2+][C@@]1(C(=O)[O-])CCCc2ccccc21)C(N)=O,C41805102_decoy,HS90A,Decoy,0.0,-6.22262,-7.01,-1.24,-6.595709807330432
CC[C@@H]1CCCC[C@@H]1Oc1ncc(N)cc1C(N)=O,C42139707_decoy,HS90A,Decoy,0.0,-6.95962,-5.89,-2.26,-6.051775586084909
NC(=O)c1cc(N)cnc1O[C@H]1CCCc2ccccc21,C42139761_decoy,HS90A,Decoy,0.0,-7.91179,-9.91,-1.42,-10.353437847672351
NC(=O)CC1CCN(c2ccc(N)c3ncccc23)CC1,C42427906_decoy,HS90A,Decoy,0.0,-8.76454,-9.37,-1.4,-7.819499591747444
Cc1c(F)cccc1N[C@@H](C)C(=O)NC(N)=O,C43321001_decoy,HS90A,Decoy,0.0,-5.55089,-6.35,-1.11,-4.184947405190243
CC(C)[C@H](C)NC(=O)C1(/C(N)=N/O)CCCCCC1,C44783032_decoy,HS90A,Decoy,0.0,-7.21436,-6.34,-1.33,-6.750413020840145
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)C(C)(C)/C(N)=N/O,C44784291_decoy,HS90A,Decoy,0.0,-7.81225,-6.37,-1.89,-7.348699872023026
Cc1ccc(F)c(NC(=O)C2(/C(N)=N/O)CCCC2)c1,C44784789_decoy,HS90A,Decoy,0.0,-7.49201,-7.11,-0.81,-6.801324685603632
C[C@@H]1CCC[C@@H](NC(=O)C2(/C(N)=N/O)CCCCC2)C1,C44784980_decoy,HS90A,Decoy,0.0,-7.01802,-5.02,-0.47,-4.64638959227473
Cc1cc(C(N)=O)ccc1NC(=O)N[C@@H](C)C1CC1,C45729297_decoy,HS90A,Decoy,0.0,-6.49532,-7.31,-0.68,-5.430299943109534
C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1F)C1CC1,C47874608_decoy,HS90A,Decoy,0.0,-6.88655,-7.38,-1.16,-5.1186287572707805
C=CCNC(=O)Nc1cc(C(N)=O)cc(F)c1C,C48488212_decoy,HS90A,Decoy,0.0,-6.7851,-5.1,-0.46,-3.712189292602768
Cc1c(F)cc(C(N)=O)cc1NC(=O)NCC1CC1,C48488230_decoy,HS90A,Decoy,0.0,-6.94826,-6.8,-0.83,-10.08424708562096
NC(=O)Nc1cccc(NC(=O)CC(F)(F)F)c1,C49032624_decoy,HS90A,Decoy,0.0,-5.92526,-7.66,-0.61,-5.778776790775127
Cc1ccc([C@@H](C)Nc2cc3c(cc2N)NC(=O)CC3)o1,C49194076_decoy,HS90A,Decoy,0.0,-7.2565,-9.07,-0.65,-6.822030088845573
CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc(F)c1F,C49413165_decoy,HS90A,Decoy,0.0,-6.99118,-6.58,-0.57,-6.458748307580869
NNc1ncccc1C(=O)NC12CC3CC(CC(C3)C1)C2,C51088747_decoy,HS90A,Decoy,0.0,-7.16695,-7.4,-1.46,-6.618230563715772
NNc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)cn1,C51634303_decoy,HS90A,Decoy,0.0,-8.37547,-5.93,-1.11,-4.50308404825393
COc1nc(NC2(CO)CCCC2)ccc1N,C53045157_decoy,HS90A,Decoy,0.0,-6.66567,-5.8,-0.68,-4.321143211330478
C[C@@H](C/C(N)=N/O)NC(=O)C1CCCCCC1,C53716195_decoy,HS90A,Decoy,0.0,-6.87918,-7.18,-0.1,-5.152998156954673
C[C@@H](CNC(=O)C1CCCCCC1)/C(N)=N/O,C54155300_decoy,HS90A,Decoy,0.0,-7.44485,-6.53,-0.73,-6.397877040063062
CCC(C)(C)C(=O)NC1(/C(N)=N/O)CCCC1,C54404291_decoy,HS90A,Decoy,0.0,-6.58735,-7.23,-0.2,-7.404678402260583
CCc1ccc2c(c1)/C(=N\NC(N)=S)C(=O)N2,C15015509_decoy,HS90A,Decoy,0.0,-7.62458,-7.73,-0.3,-7.096471153540694
CCCC(=O)NC1(/C(N)=N/O)CCCCCC1,C40372889_decoy,HS90A,Decoy,0.0,-6.28881,-6.04,-0.45,-6.038524173583229
NNc1ncccc1C(=O)N[C@@H]1CCc2ccccc2C1,C51634301_decoy,HS90A,Decoy,0.0,-7.07673,-6.24,-1.27,-4.672432436529456
CN(c1ccc(C#N)cc1)c1cc(C(N)=O)c(N)cc1F,C61984450_decoy,HS90A,Decoy,0.0,-7.21258,-8.24,-0.18,-6.525754505430862
Nc1ccc2[nH]c(C(=O)NC[C@H]3CCCCO3)cc2c1,C62834448_decoy,HS90A,Decoy,0.0,-7.19522,-8.01,-0.28,-5.330416270755068
NC(=O)[C@@H]1CCCCN1c1nc2ccc(N)cc2s1,C63104104_decoy,HS90A,Decoy,0.0,-7.94307,-7.6,-1.52,-4.73202939508406
CC(C)(CNC(=O)Nc1cccc(F)c1)C(N)=O,C65590349_decoy,HS90A,Decoy,0.0,-6.96049,-7.01,-0.26,-5.291680718072128
COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C,C00666695_decoy,HS90A,Decoy,0.0,-8.98885,-4.98,-2.29,-5.967374179468616
CC(C)(C)c1ccc2c(c1)O[C@@](NC(N)=O)(C(Cl)(Cl)Cl)O2,C00824859_decoy,HS90A,Decoy,0.0,-8.33363,-5.51,-0.03,-6.612547414386736
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)NC(=O)N1,C04679927_decoy,HS90A,Decoy,0.0,-8.019,-5.41,-1.32,-5.870391491683373
CC(C)(C)c1ccc2c(c1)O[C@](NC(N)=O)(C(Cl)(Cl)Cl)O2,C00824860_decoy,HS90A,Decoy,0.0,-7.90545,-5.68,-0.83,-7.089323179068674
CC(C)(C)[C@H]1CCc2c(sc3nc(NN)n(-c4ccccc4)c(=O)c23)C1,C02279514_decoy,HS90A,Decoy,0.0,-6.73372,-6.41,-0.44,-3.248080152143362
CC(=O)Nc1ccc(C2=CSC(Nc3cccc(C)c3C)=NN2)cc1,C03250439_decoy,HS90A,Decoy,0.0,-9.97707,-5.31,-1.45,-5.18929850342424
C=C1NC(=O)N[C@@H](c2ccsc2)[C@@H]1C(=O)Nc1ccccc1Cl,C03307229_decoy,HS90A,Decoy,0.0,-9.54726,-10.02,-0.33,-10.104833235711752
O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(O)c(O)c1,C07994909_decoy,HS90A,Decoy,0.0,-8.95431,-6.09,-1.44,-5.395836625499376
CSc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1,C12347477_decoy,HS90A,Decoy,0.0,-9.51667,-5.22,-0.05,-5.056774632265325
Cc1cc(C)c2nc(N/N=C/c3ccc(O)c(O)c3)cc(C)c2c1,C06831347_decoy,HS90A,Decoy,0.0,-10.0273,-11.56,-1.21,-8.964571167939997
Oc1c(Br)cc(/C=N/Nc2ccccn2)c(O)c1Br,C05332385_decoy,HS90A,Decoy,0.0,-9.63087,-4.78,0.21,-4.914515097815976
Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)oc2ccccc12,C14139556_decoy,HS90A,Decoy,0.0,-9.37531,-6.18,-1.74,-4.898157594387425
CC(C)Oc1ccc([C@H]2N=C(N)N=C(O)[C@H]2c2ccccc2)cc1,C16884140_decoy,HS90A,Decoy,0.0,-9.11495,-5.04,-0.42,-6.059152530059969
NC(=O)c1c(NC(=O)c2cc3cc(Cl)ccc3o2)sc2c1CCCC2,C19200418_decoy,HS90A,Decoy,0.0,-10.4943,-9.92,-0.57,-10.274034530960282
CC[C@@H]1CN(CC(=O)Nc2cc(C)ccc2C)c2cc(N)ccc2O1,C19756360_decoy,HS90A,Decoy,0.0,-9.01765,-6.79,-1.1,-6.043263252162409
Cc1ccc(C)c(NC(=O)CN2CC(C)(C)Oc3ccc(N)cc32)c1,C19756364_decoy,HS90A,Decoy,0.0,-8.04456,-7.98,-0.72,-8.03113975600881
Cc1ccc(NC(=O)[C@H](C)N2CC(C)(C)Oc3cc(N)ccc32)cc1,C19756694_decoy,HS90A,Decoy,0.0,-7.95666,-8.69,-2.0,-9.593201290800256
Nc1c(Cl)c(Cl)nc(C(=O)NN=C2CCCC2)c1Cl,C20885161_decoy,HS90A,Decoy,0.0,-8.5791,-8.37,-0.66,-8.794594601189662
NC1=N/C(=N\NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21,C31907790_decoy,HS90A,Decoy,0.0,-8.87181,-6.67,-0.1,-5.192366434090076
CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(C)c1,C32655392_decoy,HS90A,Decoy,0.0,-8.69364,-5.05,-3.02,-4.7627110181482735
O=C(Nc1ccc(F)cc1F)Nc1c(-c2cccnc2)[nH]c2ccccc12,C33130722_decoy,HS90A,Decoy,0.0,-8.9575,-10.7,-0.35,-10.20584990448657
NC(=S)/C(=N\Nc1ccc(Cl)cc1Cl)C(=O)N1CCCC1,C04476677_decoy,HS90A,Decoy,0.0,-8.59484,-6.93,-0.39,-12.825628057685726
C[C@@H](Nc1ncnc(N2CCc3ccccc32)c1N)c1ccccc1,C40687346_decoy,HS90A,Decoy,0.0,-8.14904,-9.23,-3.38,-2.420814752688244
O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@@H]1CCc2ccccc21,C44102320_decoy,HS90A,Decoy,0.0,-9.43005,-9.97,-2.34,-8.18361297829069
Nc1ccc(NCc2cccc(Br)c2)c2nonc12,C48817841_decoy,HS90A,Decoy,0.0,-7.17697,-9.38,-0.23,-6.341987171261215
Nc1cc(Cl)c(S(=O)(=O)/N=c2/[nH]c(C3CC3)cs2)c(Cl)c1,C49234449_decoy,HS90A,Decoy,0.0,-8.38483,-5.67,-4.36,-4.032677206558075
O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)C1(CCCC1)C(=O)N2,C49741082_decoy,HS90A,Decoy,0.0,-8.74532,-8.29,-3.2,-7.470114215246974
O=C1C2=C(Nc3[nH]nc(O)c3[C@H]2c2ccccc2C(F)(F)F)c2ccccc21,C12349285_decoy,HS90A,Decoy,0.0,-6.59288,-7.87,-0.64,-6.584404603316006
Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1,C00528095_decoy,HS90A,Decoy,0.0,-7.48818,-10.16,0.58,-5.193261812510334
Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Br)cc1)N2,C02472039_decoy,HS90A,Decoy,0.0,-8.69872,-9.46,-0.24,-6.645668029184902
Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2,C00530594_decoy,HS90A,Decoy,0.0,-7.38297,-9.75,0.05,-5.033283388298497
NNc1nc(COc2ccc(Br)cc2)nc2sccc12,C51148772_decoy,HS90A,Decoy,0.0,-8.82349,-6.22,-1.74,-5.081328005856912
Cc1ccc(C)c(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1,C53960470_decoy,HS90A,Decoy,0.0,-7.70857,-9.54,-2.55,-7.111976083817877
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1c[nH]c(=O)c(Cl)c1,C54852006_decoy,HS90A,Decoy,0.0,-8.45638,-7.5,-0.05,-8.39676857090528
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2,C00483510_decoy,HS90A,Decoy,0.0,-7.6484,-6.49,-0.03,-4.8754598873057615
O=C1Nc2ccc(Br)cc2[C@]12NN=C(c1ccccc1O)S2,C03100187_decoy,HS90A,Decoy,0.0,-8.36326,-5.27,-0.5,-3.393204981521242
CNC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1,C56347026_decoy,HS90A,Decoy,0.0,-6.72846,-7.36,-1.26,-5.079357568184587
Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(C)cccc2C(N)=O)c1C,C26539164_decoy,HS90A,Decoy,0.0,-7.95089,-6.97,-1.85,-8.167282630752359
Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)cccc1C(N)=O,C58787950_decoy,HS90A,Decoy,0.0,-9.13166,-10.78,-3.11,-9.391859122590043
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)c(N)c(Cl)c1,C33219084_decoy,HS90A,Decoy,0.0,-7.88193,-5.91,-1.21,-7.594084298558759
C[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccc2[nH]c(=O)[nH]c2c1,C47557417_decoy,HS90A,Decoy,0.0,-8.16798,-8.28,-0.99,-6.850542808084574
C[C@H](NC(=O)Nc1cc(Cl)ccc1F)c1ccc2c(c1)CC(=O)N2,C47156597_decoy,HS90A,Decoy,0.0,-7.78019,-6.19,-2.23,-4.907395369491588
Nc1cc([N+](=O)[O-])ccc1Nc1cc(Br)ccc1Cl,C61691103_decoy,HS90A,Decoy,0.0,-8.18835,-7.85,-1.33,-7.061479868989142
Cc1ccc[nH]/c1=N\S(=O)(=O)c1cc(Cl)cc(N)c1Br,C61881614_decoy,HS90A,Decoy,0.0,-7.68606,-9.02,-0.43,-7.596223047948073
Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1,C13131313_decoy,HS90A,Decoy,0.0,-6.59674,-7.59,0.17,-6.757422246785149
Cc1cc(C)c(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2C)cc1C,C53546093_decoy,HS90A,Decoy,0.0,-8.25165,-11.04,-2.17,-8.046277910315302
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1Cl,C66402984_decoy,HS90A,Decoy,0.0,-6.47701,-9.59,-1.28,-5.682383586027558
N#CCc1ccc(NC(=O)NC[C@@]2(O)CCCc3ccccc32)cc1,C66951896_decoy,HS90A,Decoy,0.0,-8.38637,-6.37,-4.63,-5.185824084489016
Cc1ccc([C@@H](C)NC(=O)NNC(=O)c2sccc2C)cc1,C67061092_decoy,HS90A,Decoy,0.0,-8.21372,-6.21,-1.43,-6.200560282216862
Cc1ccccc1NC(=O)NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1,C67638033_decoy,HS90A,Decoy,0.0,-7.61647,-6.87,-0.87,-6.217024537186807
Cc1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1,C04503167_decoy,HS90A,Decoy,0.0,-7.7333,-9.82,-2.56,-6.413974875534114
CCCc1cc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cs1,C02737996_decoy,HS90A,Decoy,0.0,-8.54145,-7.56,-1.3,-6.17918289148775
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1,C06349220_decoy,HS90A,Decoy,0.0,-8.82007,-8.05,-1.7,-11.329318292815188
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-],C00793229_decoy,HS90A,Decoy,0.0,-6.76371,-9.29,-0.67,-6.436220971605595
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-])c1ccccc1,C08535288_decoy,HS90A,Decoy,0.0,-7.23425,-5.98,-1.73,-6.086802068644383
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1C(=O)[O-],C00863782_decoy,HS90A,Decoy,0.0,-8.3602,-9.13,-3.13,-9.394332726387992
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)C2CCCCC2)c1C,C13078856_decoy,HS90A,Decoy,0.0,-8.14485,-8.78,-2.2,-8.727753237422087
O=C(COc1ccc(C(=O)[O-])cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2,C13412643_decoy,HS90A,Decoy,0.0,-8.75259,-5.8,-1.87,-5.5034799821092
Cc1c(C(=O)NNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)oc2ccccc12,C16481682_decoy,HS90A,Decoy,0.0,-7.53601,-9.67,-4.41,-8.579689831774779
CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1,C17089199_decoy,HS90A,Decoy,0.0,-8.43153,-9.74,-1.27,-8.333450227716192
CCCCCCC(=O)Nc1ccc2nc3c(=O)[nH]c([S-])nc3nc2c1,C20151896_decoy,HS90A,Decoy,0.0,-9.142,-6.01,-0.78,-5.343177948706615
O=C(Nc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1cccs1,C21004857_decoy,HS90A,Decoy,0.0,-9.24435,-8.4,-0.32,-8.311850281179039
O=C([O-])c1ccccc1C(=O)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1,C22017765_decoy,HS90A,Decoy,0.0,-6.4869,-6.83,-2.57,-5.974453652673572
O=C(CSc1nnc(-c2ccccc2)c([O-])n1)NNc1ccccc1,C32520900_decoy,HS90A,Decoy,0.0,-8.27361,-5.6,-1.92,-5.233622432445253
O=C(Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=O)NC1CCCCCC1,C33037992_decoy,HS90A,Decoy,0.0,-9.05426,-7.7,-1.15,-6.5339673531091815
[S-]c1nnc(N/N=C\c2ccccc2OCc2ccccc2Cl)[nH]1,C35657501_decoy,HS90A,Decoy,0.0,-8.02185,-9.18,-0.18,-7.984663119090104
[O-]c1nc(NCCc2c[nH]c3ccc(F)cc23)nnc1Cc1ccccc1,C13629997_decoy,HS90A,Decoy,0.0,-7.15552,-9.72,-1.53,-7.219087398997662
C=C1C=C([O-])N2C(=NC(NC[C@@H]3CCCO3)=N[C@@H]2c2ccc(Cl)cc2)N1,C20392518_decoy,HS90A,Decoy,0.0,-9.99778,-8.15,-0.58,-13.490323022149065
Nc1nn2c([O-])c3c(nc2c1/N=N/c1ccc(Cl)cc1)CCC3,C04649618_decoy,HS90A,Decoy,0.0,-8.74945,-5.27,-1.27,-4.605340732791688
COc1ccc([C@H]2C(C#N)=C([S-])NC(C)=C2C(=O)Nc2ccccc2)cc1OC,C39326869_decoy,HS90A,Decoy,0.0,-8.48453,-8.49,-0.76,-8.12731407019353
C[C@H](Sc1nc2ccccc2[nH]1)/C([O-])=N/C1=NN[C@@H](C(F)(F)F)S1,C39773613_decoy,HS90A,Decoy,0.0,-8.7164,-8.05,0.43,-6.465513709336498
O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4nc([S-])sc4c3)cc2o1,C41594444_decoy,HS90A,Decoy,0.0,-9.57918,-8.04,-1.51,-8.231968787457522
Cc1nc(-n2nc(-c3cccs3)cc2N)nc([O-])c1Cc1ccccc1,C43962462_decoy,HS90A,Decoy,0.0,-9.24351,-5.99,-1.26,-5.499013906400707
Cc1ccc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc2c1,C44319979_decoy,HS90A,Decoy,0.0,-6.90816,-6.57,-0.04,-6.077591036683853
O=C(Nc1c(C(=O)[O-])[nH]c2ccc(F)cc12)OCC1c2ccccc2-c2ccccc21,C44909952_decoy,HS90A,Decoy,0.0,-7.41482,-10.57,-0.89,-8.706285174462774
O=C(N/N=C/c1c[nH]c2ccccc12)c1nn(-c2ccccc2)cc1[O-],C08529661_decoy,HS90A,Decoy,0.0,-8.13029,-10.26,-1.11,-6.34658447589373
N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1ccc(NC(=O)c2ccco2)s1,C51652127_decoy,HS90A,Decoy,0.0,-10.2265,-8.35,0.02,-9.87101513496676
Nc1c2nc(-c3c(F)cccc3Cl)nc([O-])c2nc(=O)n1-c1ccccc1,C05595109_decoy,HS90A,Decoy,0.0,-7.46262,-9.56,-1.85,-8.379659584754089
O=C1Nc2c(cccc2C(F)(F)F)/C1=N/Nc1cccc(C(=O)[O-])c1,C13268987_decoy,HS90A,Decoy,0.0,-7.03985,-9.84,-3.5,-6.620850467073885
[O-]c1[nH]c(=S)nnc1-c1ccccc1/N=C/c1c[nH]c2ccccc12,C54363757_decoy,HS90A,Decoy,0.0,-8.53735,-10.56,-1.81,-12.97715419538538
C[C@@](CC(=O)N=c1[nH]c2ccccc2[nH]1)(C(=O)[O-])c1ccccc1,C54500196_decoy,HS90A,Decoy,0.0,-6.67482,-5.01,-0.38,-4.949259524963807
O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1F,C55150310_decoy,HS90A,Decoy,0.0,-8.28682,-10.06,-1.61,-11.354384795194608
O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1F,C55150312_decoy,HS90A,Decoy,0.0,-9.70655,-10.05,-1.62,-12.537937023751832
Cc1c(C(=O)[O-])sc2ncnc(NCC3(O)CCCCC3)c12,C55325521_decoy,HS90A,Decoy,0.0,-8.94901,-5.63,-1.08,-4.711523042679926
Cc1ccc(C(=O)/N=C(/[N-]c2cccc(C)c2)Nc2nc(=O)c3c([nH]2)CCCC3)cc1,C13689458_decoy,HS90A,Decoy,0.0,-8.83624,-6.84,-2.76,-6.842198875133088
O=C(N/N=C/c1cccc(F)c1)c1c([O-])[nH]c2ccc(Br)cc2c1=O,C05446480_decoy,HS90A,Decoy,0.0,-8.87534,-8.75,-0.34,-6.865721093015635
O=C(NCC1CCC(C(=O)[O-])CC1)c1cccc(NC(=O)c2ccccc2)c1,C58836925_decoy,HS90A,Decoy,0.0,-10.3435,-10.81,-4.34,-8.601084647418391
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)c([N+](=O)[O-])c1)N2,C27571979_decoy,HS90A,Decoy,0.0,-7.38227,-7.25,-1.97,-7.112731114615132
O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1,C59435056_decoy,HS90A,Decoy,0.0,-6.9622,-9.9,-4.37,-6.530066385605034
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[nH]1)Nc1ccc(F)cc1,C59941891_decoy,HS90A,Decoy,0.0,-8.43809,-10.0,-2.94,-7.731893538406366
O=C(NCc1ccco1)Nc1ccc(I)cc1C(=O)[O-],C62824577_decoy,HS90A,Decoy,0.0,-7.13393,-9.11,-1.25,-7.486765912069806
N#C/C(C(=O)NC1CCCC1)=C(\[O-])c1ccc(-c2cccs2)[nH]c1=O,C64101776_decoy,HS90A,Decoy,0.0,-7.98363,-7.37,-1.25,-7.494961531803793
CCCN1C([O-])=C(C(=O)/N=c2\[nH]c3ccccc3s2)[C@@H](O)c2ccccc21,C64165536_decoy,HS90A,Decoy,0.0,-7.55283,-5.36,-0.76,-4.884446541375544
Cc1ccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1[N-]S(C)(=O)=O,C64409886_decoy,HS90A,Decoy,0.0,-8.65643,-8.58,-1.53,-9.404760128234614
[O-]c1cc(CNc2ccccc2)nc2nc(NCc3ccccc3)nn12,C35476616_decoy,HS90A,Decoy,0.0,-8.34708,-9.73,-1.27,-6.961625409683867
[O-]c1cc(CNc2ccccc2F)nc2nc(NCc3ccc(Cl)cc3)nn12,C65322863_decoy,HS90A,Decoy,0.0,-9.27625,-9.85,-0.77,-7.100192535897904
Cc1ccc(CNc2nc3nc(CNc4cccc(C)c4)cc([O-])n3n2)cc1,C65322919_decoy,HS90A,Decoy,0.0,-9.37931,-5.63,-1.49,-5.02137415899705
CNC(=O)c1ccc(/C=C\C(=O)/C(C#N)=C(/[O-])c2c(C)[nH]c3ccccc23)cc1,C66504521_decoy,HS90A,Decoy,0.0,-7.28264,-10.54,-1.48,-8.865003354037427
C=CCn1c([S-])nc2cc(C(=O)NNC(=O)c3cccc(C)c3)ccc2c1=O,C67189847_decoy,HS90A,Decoy,0.0,-8.95109,-9.03,-1.23,-7.667333466577097
C=C1C=C([O-])N2C(=N/C(=N\c3cccc(C)c3C)N[C@H]2c2ccccc2OC)N1,C36542248_decoy,HS90A,Decoy,0.0,-8.26549,-5.71,-2.48,-5.144556909741951
CC(C)[C@H]1CC[C@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@H]2c1ccc(N(C)C)cc1,C03912107_decoy,HS90A,Decoy,0.0,-9.07439,-4.8,0.24,-5.50663218660779
CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@@H]1C(C)(C)CCC[C@]21C,C01576670_decoy,HS90A,Decoy,0.0,-8.22441,-8.56,-1.46,-7.540165449990307
Cc1cc2c(cc1C)N[C@H](CC(=O)N[C@H](C)c1ccccc1)C(=O)N2,C00079083_decoy,HS90A,Decoy,0.0,-8.51623,-7.25,-1.37,-6.879065989492191
Nc1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)s1,C01423838_decoy,HS90A,Decoy,0.0,-9.12325,-9.43,-0.15,-8.023476159373468
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C#N)cc2)NC(=S)N1,C01078814_decoy,HS90A,Decoy,0.0,-9.1178,-5.53,-3.85,-5.662014237613656
CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(NN)c23)CO1,C05068793_decoy,HS90A,Decoy,0.0,-10.7549,-7.87,-2.17,-8.046275506152938
C/C(=N\NC(N)=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,C05222189_decoy,HS90A,Decoy,0.0,-8.15442,-5.54,-2.94,-4.706233823817335
C=C1NC(=O)N[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1C(F)(F)F,C02649152_decoy,HS90A,Decoy,0.0,-6.84868,-10.16,-0.73,-8.334544583866014
C=C1NC(=O)N[C@@H](c2c(C)cc(C)cc2C)[C@@H]1C(=O)Nc1ccccc1,C03276863_decoy,HS90A,Decoy,0.0,-8.72801,-6.18,-0.97,-6.6058566323770656
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2)NC(=O)N1,C07141151_decoy,HS90A,Decoy,0.0,-7.87638,-10.59,-1.84,-10.0057825380125
O=C(N/N=C/c1c[nH]c2ccccc12)C1(O)c2ccccc2-c2ccccc21,C00861675_decoy,HS90A,Decoy,0.0,-8.4963,-9.57,-0.83,-8.033594744210138
Cc1ccc2c(C)cc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2c1,C08721158_decoy,HS90A,Decoy,0.0,-8.53182,-9.48,-2.27,-13.220599054859267
C[C@H]1CCc2c(sc3ncnc(N[C@@H](C)[C@H](O)c4ccc(O)cc4)c23)C1,C09114087_decoy,HS90A,Decoy,0.0,-10.3897,-9.25,-0.77,-8.26573556566271
CC1(C)CC(=O)C2=C(C1)Nc1cccnc1N[C@H]2c1c[nH]c2ccccc12,C18244365_decoy,HS90A,Decoy,0.0,-8.14286,-6.05,-1.76,-4.769127388071027
Oc1ccc([C@H]2Nc3c(OC[C@H]4CCCO4)cccc3[C@@H]3C=CC[C@@H]23)c(O)c1,C20682328_decoy,HS90A,Decoy,0.0,-9.65569,-5.73,-0.88,-6.290399857308155
O=c1nc2c(c(-c3ccccc3)[nH]1)[C@@H](c1ccccc1)Nc1ccccc1N2,C28629259_decoy,HS90A,Decoy,0.0,-7.75474,-9.46,-3.71,-7.243700613353078
O=C1C[NH2+][C@]23CCCC[C@@H]2[C@H](/C1=C(\[O-])Nc1ccccc1)c1ccccc1O3,C34858534_decoy,HS90A,Decoy,0.0,-8.15237,-6.08,-0.8,-5.840971988906287
O=C(Cc1c[nH]c2ccccc12)NC1=NN[C@H](C2CCCCC2)S1,C39160066_decoy,HS90A,Decoy,0.0,-9.32146,-5.26,-1.44,-5.006347365956853
C[C@@H](c1ccc(F)cc1)[NH+]1[C@@H]([S-])NN[C@H]1[C@@H]1C=C(c2ccccc2)N=N1,C39246154_decoy,HS90A,Decoy,0.0,-8.05269,-7.34,-1.8,-6.874926943680875
C/C(=N\O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C39932712_decoy,HS90A,Decoy,0.0,-10.1647,-6.02,-1.24,-5.34409887726104
Nc1c(NC23CC4CC(CC(C4)C2)C3)ncnc1N1CCCCCC1,C40725435_decoy,HS90A,Decoy,0.0,-8.53462,-5.65,-4.13,-4.860074506629895
C[C@@H]1CCCCN1c1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N,C40731820_decoy,HS90A,Decoy,0.0,-7.49631,-4.93,-4.16,-4.416800994779665
CC1(C)C[C@H]2C[C@](C)(CN2c2ncnc(Nc3ccc(F)c(F)c3)c2N)C1,C40735354_decoy,HS90A,Decoy,0.0,-8.5846,-6.89,-3.9,-4.841693010243015
Cc1cc(F)ccc1NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C,C43420910_decoy,HS90A,Decoy,0.0,-7.18913,-7.75,-1.61,-5.464651781909212
O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@H]1CCc2ccccc21,C45304722_decoy,HS90A,Decoy,0.0,-7.49162,-10.7,-1.2,-7.71773837668141
Cc1ccccc1NC(=O)NNC(=O)c1cccc(C(F)(F)F)c1,C45884339_decoy,HS90A,Decoy,0.0,-6.40144,-7.48,-1.18,-4.964132938274124
Cc1ccc(Br)cc1NCC(=O)NC(=O)NC(C)(C)C,C48658326_decoy,HS90A,Decoy,0.0,-7.61688,-7.05,-0.63,-5.308611042001066
CCc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1,C04685333_decoy,HS90A,Decoy,0.0,-8.99969,-11.19,-0.61,-11.554401965019542
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1,C04426997_decoy,HS90A,Decoy,0.0,-8.13871,-5.28,0.39,-4.957027503829738
Nc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C[C@H](c1ccccc1)N2,C00530648_decoy,HS90A,Decoy,0.0,-9.01894,-9.19,-0.2,-8.264493630635076
Cc1ccc(SCc2[nH]nc3c2[C@H](C2CCCCC2)C(C#N)=C(N)O3)cc1,C00804040_decoy,HS90A,Decoy,0.0,-9.1493,-8.7,-0.13,-8.813648104667726
CCCc1n[nH]c2c1[C@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2,C04613400_decoy,HS90A,Decoy,0.0,-9.49271,-9.45,0.6,-9.145303327392366
NC1=Nc2nc3ccccc3n2[C@H](c2cc(-c3ccccc3)cs2)N1,C54426073_decoy,HS90A,Decoy,0.0,-8.96089,-9.48,0.27,-7.780344302575163
C[C@H](NC(=O)NNC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2,C09732840_decoy,HS90A,Decoy,0.0,-7.7966,-8.08,-1.43,-6.680021443526242
O=C(Cc1ccc2ccccc2c1)NNC(=O)Nc1ccc(F)cc1F,C56324581_decoy,HS90A,Decoy,0.0,-7.78576,-10.11,-2.39,-7.437781631658435
CNC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1,C56347025_decoy,HS90A,Decoy,0.0,-7.08209,-9.91,-0.77,-6.460038136071872
Cc1cc(Br)ccc1C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C58386207_decoy,HS90A,Decoy,0.0,-8.0678,-5.46,-1.75,-4.790074725666884
C/C(=N/N=c1/[nH]c(-c2ccccc2)cs1)c1ccc(O)cc1O,C07350198_decoy,HS90A,Decoy,0.0,-8.08019,-6.52,-1.89,-4.175558633606742
O=C(CNC(=O)Nc1cccc(F)c1)Nc1ccc(Br)cc1,C47324344_decoy,HS90A,Decoy,0.0,-6.80779,-6.87,-2.68,-5.183644408405486
CC1=C(C(=O)N/N=C/c2ccc(F)cc2)[C@@H](c2ccccc2)NC(=S)N1,C59384618_decoy,HS90A,Decoy,0.0,-7.85821,-5.45,-0.42,-5.886844618343361
Cc1cc(-c2ccccc2)nc(/N=C(\N)Nc2ccccc2C)n1,C59487988_decoy,HS90A,Decoy,0.0,-7.6295,-6.47,-0.62,-5.340595161221597
NC(=O)C[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1,C60291850_decoy,HS90A,Decoy,0.0,-8.48217,-8.57,-1.76,-7.505535775815075
NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NC1CCCCCCC1,C60942651_decoy,HS90A,Decoy,0.0,-7.80103,-7.79,-0.89,-7.526187006614904
CCc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1,C13132348_decoy,HS90A,Decoy,0.0,-8.80222,-10.34,-0.32,-7.65409148939329
COc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O,C03647368_decoy,HS90A,Decoy,0.0,-9.88573,-5.38,-4.26,-5.5623514256468605
CCc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)cc1,C13132137_decoy,HS90A,Decoy,0.0,-9.50975,-11.22,0.08,-16.35129577184887
O=C(NNC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC1CCCC1,C65920480_decoy,HS90A,Decoy,0.0,-8.2145,-8.11,-0.5,-7.763131787856047
C[C@@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc2ccccc2c1,C66402574_decoy,HS90A,Decoy,0.0,-7.58266,-7.22,-1.78,-6.106982205391445
O=C(NC[C@@]1(O)CCCc2ccccc21)Nc1ccccc1N1CCCC1,C66951794_decoy,HS90A,Decoy,0.0,-8.12583,-9.26,-2.22,-7.852345962988241
Cc1cccc(C(=O)NNC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1,C67102981_decoy,HS90A,Decoy,0.0,-8.35567,-7.82,-2.09,-6.921428948841393
CC/C(C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O)=N\NC(N)=O,C04579354_decoy,HS90A,Decoy,0.0,-7.73589,-10.18,-1.25,-8.927085897241698
NC(=O)c1ccccc1NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C02613993_decoy,HS90A,Decoy,0.0,-9.91415,-7.77,-1.67,-8.861537076451723
NC(=O)Nc1cccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1,C07690971_decoy,HS90A,Decoy,0.0,-9.35863,-7.28,-3.01,-6.269251606904041
NC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1F)c1cccc(Oc2ccccc2)c1,C09170537_decoy,HS90A,Decoy,0.0,-9.80888,-8.57,-1.68,-8.504635554687484
Cc1ccccc1Nc1nc(N)nc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)n1,C15495527_decoy,HS90A,Decoy,0.0,-9.6729,-9.98,-0.47,-9.223766199820185
Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2sccc2C(N)=O)s1,C15809887_decoy,HS90A,Decoy,0.0,-10.9886,-9.02,-3.86,-8.95572228201264
Nc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3[nH]2)cc1,C17190742_decoy,HS90A,Decoy,0.0,-8.24375,-10.16,-1.85,-7.84568087049004
CC(C)Cn1c(SCc2nc(N)nc(N)n2)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C17721101_decoy,HS90A,Decoy,0.0,-9.55974,-8.16,-2.49,-8.073244738377547
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1,C21142914_decoy,HS90A,Decoy,0.0,-9.27151,-6.95,-3.67,-5.951714253429143
C[C@@H](O)CCC(=O)NNCC(=O)Nc1nc2c(s1)CCCCCCCCCC2,C22507898_decoy,HS90A,Decoy,0.0,-9.57715,-6.09,-1.13,-6.613632898286895
CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2,C25336412_decoy,HS90A,Decoy,0.0,-9.25165,-5.58,-3.98,-6.495461200124904
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc(NC(=O)C(C)C)cc2)c(C)c1,C29567041_decoy,HS90A,Decoy,0.0,-9.4619,-9.88,-1.92,-9.165481649793
Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1,C29718226_decoy,HS90A,Decoy,0.0,-9.4966,-8.53,-1.51,-6.804097019911059
Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1,C29719742_decoy,HS90A,Decoy,0.0,-9.05201,-10.19,-3.36,-10.42297389822324
Nc1c(NC(=O)NCc2cccc(F)c2)c(-c2ccccc2)nn1-c1ccccc1,C34785401_decoy,HS90A,Decoy,0.0,-8.19096,-9.92,-3.51,-9.468311454953833
Nc1c(NC(=O)NC[C@@H]2CCCO2)c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1,C34785637_decoy,HS90A,Decoy,0.0,-9.79078,-6.44,-2.34,-6.611502909628188
CC[C@@H](C)NC(=O)Nc1c(-c2ccccc2)nn(-c2ccc(C(F)(F)F)cc2)c1N,C35868112_decoy,HS90A,Decoy,0.0,-8.23022,-5.23,-2.41,-5.185226092466396
C[C@H](Sc1nc(N)c2c3c(sc2n1)CCCC3)C(=O)NC(=O)NC1CCCCC1,C22616937_decoy,HS90A,Decoy,0.0,-10.0058,-9.28,-1.96,-8.53927193224256
Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)cc1,C05033151_decoy,HS90A,Decoy,0.0,-6.04696,-8.13,-1.17,-5.122527558635809
NN1[C@@H](SCC(=O)c2ccc3ccccc3c2)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1,C38752612_decoy,HS90A,Decoy,0.0,-8.95371,-9.91,-0.39,-7.040678777011827
COc1ccc(C2=C[C@@H]([C@@H]3NN[C@H](SCc4cccc5ccccc45)N3N)N=N2)cc1,C39021363_decoy,HS90A,Decoy,0.0,-10.0321,-9.89,-0.7,-9.005884930624754
CC1=C(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)[C@H](C)N(Cc2ccccc2C)N1,C39272398_decoy,HS90A,Decoy,0.0,-8.81703,-8.71,-0.9,-8.911006952236846
CC1(C)CCC[C@@]2(C)[C@@H](CC(=O)NNC(=O)Nc3ccccc3)[C@](C)(O)CC[C@@H]12,C06050233_decoy,HS90A,Decoy,0.0,-8.33448,-6.42,-3.17,-6.18585327836726
Cc1cccc(NC(=O)c2oc3c(c2C)/C(=N/NC(N)=S)CC(C)(C)C3)c1C,C39856096_decoy,HS90A,Decoy,0.0,-9.83405,-7.22,-2.96,-7.487086969346898
Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N/NC(N)=S)CC(C)(C)C2,C39856176_decoy,HS90A,Decoy,0.0,-9.13487,-6.97,-3.41,-6.392971436827053
Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[nH]c(=O)c21,C40399166_decoy,HS90A,Decoy,0.0,-9.56387,-7.14,-3.6,-5.162188603057079
Cc1ccc(C(=O)NNc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1,C40727449_decoy,HS90A,Decoy,0.0,-8.84664,-8.01,-5.27,-6.964840857978323
Nc1c(Nc2ccc(C(F)(F)F)cc2)ncnc1Nc1ccc(Cl)cn1,C40779570_decoy,HS90A,Decoy,0.0,-7.78316,-8.07,-3.24,-5.597056078021798
Nc1c(Nc2ccc(F)cc2F)ncnc1Nc1ncc(C(F)(F)F)cc1Cl,C40800295_decoy,HS90A,Decoy,0.0,-9.13189,-9.18,-3.42,-7.434323365977921
O=C(NCCNC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1,C43191235_decoy,HS90A,Decoy,0.0,-7.79275,-10.07,-3.6,-7.838837126247025
CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)C2(C#N)C#N,C43919741_decoy,HS90A,Decoy,0.0,-8.37108,-4.61,-3.49,-5.481201450541574
CCC(=O)Nc1cccc(NC(=O)NCCNc2nc3ccccc3s2)c1,C44103929_decoy,HS90A,Decoy,0.0,-9.50969,-8.81,-3.41,-8.155846860699212
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1,C46067102_decoy,HS90A,Decoy,0.0,-7.64315,-9.02,-2.38,-6.730241814968108
CC(C)C(=O)Nc1cccc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c1,C46864399_decoy,HS90A,Decoy,0.0,-10.3714,-10.14,-4.09,-10.86507320091578
CC(C)c1cs/c(=N\S(=O)(=O)c2cc(Br)cnc2NN)[nH]1,C49238149_decoy,HS90A,Decoy,0.0,-7.79479,-8.22,-3.17,-7.735615208495515
O=C(Nc1cccc(F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12,C40975766_decoy,HS90A,Decoy,0.0,-9.83091,-10.09,-0.73,-8.944344870046864
Cc1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1,C25049045_decoy,HS90A,Decoy,0.0,-8.01508,-6.76,-1.89,-6.4066639218686205
CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2,C56917075_decoy,HS90A,Decoy,0.0,-9.25913,-9.26,-0.72,-7.468466141240727
Cc1ccccc1NC(=O)NNC(=O)NCCCN(C)c1ccccc1F,C57246361_decoy,HS90A,Decoy,0.0,-8.56578,-9.53,-2.31,-6.842734245795978
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C(N)=O)=C(N)O2,C58903523_decoy,HS90A,Decoy,0.0,-8.47402,-5.14,-1.46,-5.212045890253813
Cc1ccc(C(=O)NNC(=O)NCCC(C)C)cc1NC(=O)c1ccccc1,C65134112_decoy,HS90A,Decoy,0.0,-9.93022,-6.48,-3.04,-6.622171945020411
CCOC(=O)Nc1cccc(NC(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c1C,C65466164_decoy,HS90A,Decoy,0.0,-9.23012,-7.46,-1.36,-7.257374676404496
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)Nc1ccc2c(c1)C(=O)NC2=O,C65772246_decoy,HS90A,Decoy,0.0,-6.62099,-10.02,-1.94,-6.438289193045656
C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc3oc(=O)ccc3c2)cc1,C65786991_decoy,HS90A,Decoy,0.0,-9.88718,-8.67,-1.09,-7.200912388900475
Cc1ccc(CCNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(C)c1,C65829132_decoy,HS90A,Decoy,0.0,-9.70633,-10.58,-1.01,-10.730845748125317
O=C(NC[C@]1(O)CCCc2ccccc21)Nc1cccc(NC(=O)C2CC2)c1,C66952031_decoy,HS90A,Decoy,0.0,-9.61045,-7.36,-1.2,-7.205480477681727
CC[C@H](NC(=O)NNC(=O)c1oc2ccccc2c1C)c1nc2ccccc2[nH]1,C67040153_decoy,HS90A,Decoy,0.0,-8.4904,-8.96,-3.38,-8.736268317624155
C[C@@H](NC(=O)NNC(=O)CC1CCCCC1)c1ccc(NC(=O)C2CC2)cc1,C67103651_decoy,HS90A,Decoy,0.0,-9.91092,-5.65,-4.35,-6.499213175154746
C[C@H](CC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)NC(=O)C1CCCCC1,C67105628_decoy,HS90A,Decoy,0.0,-10.5757,-9.35,-2.75,-13.426521144304012
CC(C)[C@H](NC(=O)NNC(=O)CC1CCCCC1)c1nc2ccccc2[nH]1,C67381617_decoy,HS90A,Decoy,0.0,-8.88407,-9.43,-3.4,-7.891865089677296
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)NC1CCCCC1,C04147966_decoy,HS90A,Decoy,0.0,-9.5562,-9.37,-2.48,-10.112061939609069
CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccccc1OC,C00860075_decoy,HS90A,Decoy,0.0,-9.11533,-7.71,-0.71,-9.042433565262428
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1,C04200775_decoy,HS90A,Decoy,0.0,-9.56901,-11.24,-1.71,-11.265686172856723
CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CCN(C(C)=O)C2,C08920976_decoy,HS90A,Decoy,0.0,-8.74078,-7.98,-3.29,-7.071609933774211
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(=O)OC)CCCCC3)cc1,C09298378_decoy,HS90A,Decoy,0.0,-9.36922,-5.32,-3.36,-6.207042766779019
COC(=O)NC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CC[C@@H](C)C2,C09504962_decoy,HS90A,Decoy,0.0,-10.2633,-5.55,-2.64,-8.194283187904272
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC,C10246764_decoy,HS90A,Decoy,0.0,-10.916,-9.79,-3.7,-9.4157396973225
COC(=O)NC(=O)c1c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)sc2c1CC[C@@H](C)C2,C10785864_decoy,HS90A,Decoy,0.0,-10.8584,-4.84,-3.17,-6.852890019719831
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(-c4cccs4)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1C,C11855842_decoy,HS90A,Decoy,0.0,-10.8807,-8.68,-3.77,-9.604649508848428
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)n1,C12008003_decoy,HS90A,Decoy,0.0,-12.1215,-10.2,-1.27,-10.220065588169737
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1,C12009929_decoy,HS90A,Decoy,0.0,-10.849,-6.63,-1.38,-7.762518660042116
COC(=O)NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)sc2c1CC[C@H](C)C2,C12465551_decoy,HS90A,Decoy,0.0,-11.8838,-9.49,-0.95,-11.026105885154204
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1OC,C12500657_decoy,HS90A,Decoy,0.0,-11.2307,-10.02,-3.16,-10.142399024559868
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CC,C12529609_decoy,HS90A,Decoy,0.0,-8.77128,-8.57,-1.2,-8.457647976854226
Cn1c(N)c(C(=O)COC(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c(=O)n(C)c1=O,C02630464_decoy,HS90A,Decoy,0.0,-9.51748,-6.75,-1.61,-5.137481477528816
Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C,C12595474_decoy,HS90A,Decoy,0.0,-9.39555,-8.76,-2.57,-7.380565084813406
Cc1ccccc1OC[C@@H](O)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C,C00863238_decoy,HS90A,Decoy,0.0,-10.1428,-9.44,-1.76,-9.151772619632744
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC[C@H](O)c3ccccc3)nc12,C13811292_decoy,HS90A,Decoy,0.0,-10.7742,-8.65,-1.86,-9.318274222728023
CCOc1cc(/C=c2\sc3n(c2=O)CC(C(=O)OC)=C(C)N=3)c(Br)cc1OCC(N)=O,C13915277_decoy,HS90A,Decoy,0.0,-11.0353,-7.82,-2.06,-9.02409913611786
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)N(CCBr)c5ccccc54)[C@H]3C2=O)cc1,C15319894_decoy,HS90A,Decoy,0.0,-9.55833,-7.77,-2.44,-7.199033438532538
O=C1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(C4CCCC4)CC3)ccc2N1,C20286514_decoy,HS90A,Decoy,0.0,-9.9386,-10.33,-2.95,-9.194257822082104
O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1,C20683213_decoy,HS90A,Decoy,0.0,-9.25686,-8.37,-2.67,-6.635445433060385
COc1cc2c(c(OC)c1OC)-c1cc/c(=N\CCC[NH+]3CCN(C)CC3)c([O-])cc1[C@H](NC(C)=O)CC2,C22802733_decoy,HS90A,Decoy,0.0,-9.98263,-6.57,-3.82,-7.764941705999638
Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1,C33446183_decoy,HS90A,Decoy,0.0,-9.77355,-8.83,-0.78,-9.514503816932118
[H]/N=c1/c(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCC3)[nH]n1-2,C33694394_decoy,HS90A,Decoy,0.0,-9.66365,-6.47,-3.23,-6.231154437187623
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN([C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1)C2=O,C35965114_decoy,HS90A,Decoy,0.0,-9.28561,-9.94,-1.14,-12.050260292186016
CC(C)C[C@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C,C35966830_decoy,HS90A,Decoy,0.0,-8.67118,-9.43,-2.65,-8.800188332892526
COCCN1C(=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,C36066187_decoy,HS90A,Decoy,0.0,-9.85618,-6.14,-4.98,-7.195769948162474
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O,C36559448_decoy,HS90A,Decoy,0.0,-9.41494,-9.93,-2.23,-7.66870997227024
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccco2)N(Cc2ccc(C)o2)C(=O)[C@@H]2CCC(=O)N2)cc1,C36601176_decoy,HS90A,Decoy,0.0,-8.97835,-8.03,-2.77,-8.096199314563018
Cc1cccc2c(=O)cc(C(=O)Nc3sc4c(c3C(=O)N[C@@H]3CCS(=O)(=O)C3)CC[C@@H](C)C4)oc12,C38644086_decoy,HS90A,Decoy,0.0,-11.7015,-10.18,-4.2,-9.847048793640845
CCC[C@@]12CN(C(=O)/C=C/c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C[C@H]1C(=O)NC(=O)N2,C39195376_decoy,HS90A,Decoy,0.0,-8.43908,-7.7,-2.01,-6.145737907146541
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)[C@@H]1CN(CC(=O)N2CCCCC2)c2ccccc21,C39701901_decoy,HS90A,Decoy,0.0,-9.80616,-9.84,-2.06,-9.762649185962443
O=C1/C(=C\c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl,C39729296_decoy,HS90A,Decoy,0.0,-10.008,-9.08,-2.47,-9.936913327842376
CCOC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)cc1,C39877109_decoy,HS90A,Decoy,0.0,-8.55497,-5.91,-2.16,-5.78421198277388
CCN(CC)C(=O)COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1OC,C40924068_decoy,HS90A,Decoy,0.0,-10.0452,-9.23,-3.19,-10.304982398343096
COc1cc([C@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3ncnn32)ccc1OCC(=O)N1CCCCC1,C41023648_decoy,HS90A,Decoy,0.0,-10.1735,-10.11,-3.22,-9.540101471502776
CSCC[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Cl)ccc2[N+](=O)[O-])[C@H]2C(=O)N(CCc3ccccn3)C(=O)[C@H]21,C43218312_decoy,HS90A,Decoy,0.0,-9.19091,-5.69,-1.25,-6.998934470787962
CCCOc1ccc([C@@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]32)cc1,C43221103_decoy,HS90A,Decoy,0.0,-9.4975,-6.1,-2.6,-7.20522417000094
CC[C@@H](C)[C@]1(C(=O)[O-])[NH2+][C@@H](c2cccc(OC)c2OCc2ccccc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21,C43221580_decoy,HS90A,Decoy,0.0,-11.0808,-9.03,-1.36,-11.116848266147509
O=C(NC[C@@H]1CCCO1)[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCN1C(=O)c1cccc(C(F)(F)F)c1,C43260497_decoy,HS90A,Decoy,0.0,-7.05963,-8.01,-3.25,-8.794915791133189
Cc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccccn3)CC2)n1Cc1ccccc1C(F)(F)F,C43260950_decoy,HS90A,Decoy,0.0,-9.07111,-9.0,-1.24,-7.983448468877714
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@@H]5C(=O)OC)CC[C@@]4(C)[C@H]3CC[C@]21C,C43741417_decoy,HS90A,Decoy,0.0,-9.22813,-5.91,-2.94,-5.975596072437727
Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1N1CCCC1=O,C49504889_decoy,HS90A,Decoy,0.0,-10.5986,-9.96,-4.18,-8.68905457283233
COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CN1C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C1=O)CC2,C02639032_decoy,HS90A,Decoy,0.0,-9.59433,-6.02,-2.56,-6.388460257579632
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1,C03330678_decoy,HS90A,Decoy,0.0,-10.8252,-9.15,-2.0,-8.596466911373357
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,C59331653_decoy,HS90A,Decoy,0.0,-9.24533,-9.24,-4.0,-9.09278553300899
[H]/N=c1/c(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCCC3)[nH]n1-2,C41083757_decoy,HS90A,Decoy,0.0,-9.62056,-6.85,-3.96,-5.730378696135234
C[C@@H]1c2ccc(OCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-])cc2OC(=O)[C@@H]1Cc1ccccc1,C63350560_decoy,HS90A,Decoy,0.0,-8.86607,-7.62,-2.39,-7.360895983242035
Cc1c(CC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4,C63351360_decoy,HS90A,Decoy,0.0,-8.78178,-6.46,-1.77,-6.351513371217276
CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(=O)n(C)c1=O,C02656533_decoy,HS90A,Decoy,0.0,-9.45037,-9.55,-1.8,-8.213275655069465
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,C03166858_decoy,HS90A,Decoy,0.0,-11.0306,-9.13,-4.12,-8.766955832654844
O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NS(=O)(=O)c1cccc2cccnc12,C04235543_decoy,HS90A,Decoy,0.0,-6.57135,-11.04,-3.94,-7.8662278036624445
O=C(CN1C[C@@H](c2ccccc2)NC1=S)N(C1CC1)C1(C(=O)Nc2ccc(N3CCOCC3)cc2)CCSCC1,C08695960_decoy,HS90A,Decoy,0.0,-10.0348,-6.81,-2.61,-7.274089360775712
CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)n1,C08868295_decoy,HS90A,Decoy,0.0,-13.4803,-4.81,-3.45,-7.42877659833307
CCOC(=O)NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2,C08893884_decoy,HS90A,Decoy,0.0,-9.57263,-7.15,-4.14,-9.368321608477329
Cc1cc(C)c(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)s2)c(C)c1,C08904737_decoy,HS90A,Decoy,0.0,-11.0671,-9.59,-1.11,-9.18986141427786
CC(C)[C@H](NS(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O)c1nnc(S(=O)(=O)Cc2ccccc2F)o1,C09029405_decoy,HS90A,Decoy,0.0,-9.2996,-8.15,-2.99,-8.376992111193877
Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccc(N(C)C)cc2)cc1,C09080390_decoy,HS90A,Decoy,0.0,-9.14672,-8.97,-2.6,-8.589722826625371
COC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2c1CCCC2,C09297933_decoy,HS90A,Decoy,0.0,-9.35092,-8.59,-3.17,-7.529865499907104
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O,C09404266_decoy,HS90A,Decoy,0.0,-11.165,-9.6,-1.76,-8.546452222515185
O=C(CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NC3CCCCC3)C(=O)N12)NC[C@H]1CCCO1,C09471944_decoy,HS90A,Decoy,0.0,-10.9547,-9.67,-3.48,-9.930875646904951
CCOC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)cc1,C09699901_decoy,HS90A,Decoy,0.0,-10.8921,-9.6,-2.62,-10.04151529454008
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2c1CC[C@@H](C)C2,C10099917_decoy,HS90A,Decoy,0.0,-11.6891,-4.79,-3.92,-6.311448755248339
COC(=O)NC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CCCC2,C10761316_decoy,HS90A,Decoy,0.0,-10.684,-8.64,-1.26,-12.526445901847548
COC(=O)NC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CC[C@H](C)C2,C10761460_decoy,HS90A,Decoy,0.0,-10.767,-5.49,-2.5,-8.920483266218742
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc1,C11855816_decoy,HS90A,Decoy,0.0,-10.993,-5.49,-1.73,-6.933494814574001
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1,C12009326_decoy,HS90A,Decoy,0.0,-9.93386,-10.41,-1.98,-9.94728188415221
Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1,C12009467_decoy,HS90A,Decoy,0.0,-11.749,-11.31,-3.81,-10.252070586637917
O=C(Cn1ncn(-c2ccccc2)c1=S)N/N=C/c1ccc(OC(=O)/C=C2\SC(=O)NC2=O)cc1,C13016638_decoy,HS90A,Decoy,0.0,-11.1736,-9.84,-1.53,-8.294387628167891
O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(OC[C@@H]2CCCO2)c(Br)c1,C13630025_decoy,HS90A,Decoy,0.0,-10.6674,-9.25,-3.33,-13.288123265872242
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccccc3F)CC2)C1=O)NC[C@H]1CCCO1,C16613198_decoy,HS90A,Decoy,0.0,-9.02156,-5.69,-1.19,-6.421872012851859
Cc1cccc(NC(=O)Cn2c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3sccc32)c1,C20151628_decoy,HS90A,Decoy,0.0,-10.1789,-9.32,-2.63,-9.803489072799051
O=C1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3CCN(C4CCCC4)CC3)ccc2N1,C20286519_decoy,HS90A,Decoy,0.0,-10.3413,-8.88,-1.34,-8.989680681483545
CCOC(=O)[C@@H]1CCCN(c2nc(-c3cc4ccccc4s3)ccc2C(=O)N2CCC(C(N)=O)CC2)C1,C20776288_decoy,HS90A,Decoy,0.0,-12.1427,-7.32,-2.91,-8.83724505143146
Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccccc4C(=O)NC[C@@H]4CCCO4)CC3)CC2=O)cc1,C21449684_decoy,HS90A,Decoy,0.0,-11.2685,-8.74,-2.25,-8.97765464265254
O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc12,C32124995_decoy,HS90A,Decoy,0.0,-7.8529,-9.11,-3.06,-8.075093531770133
C/C=C\CN1C(=O)[C@H]2[C@@H](c3ccc(-c4ccccc4)cc3)[NH2+][C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)[O-])[C@@H]2C1=O,C33518016_decoy,HS90A,Decoy,0.0,-9.23109,-6.01,-2.17,-5.832362369515035
CC[C@H](C)[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(OC)c(C)c2OC)[C@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]21,C33534856_decoy,HS90A,Decoy,0.0,-9.01701,-5.36,-3.75,-5.752721678464855
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NC[C@@H]2CCCO2)c1,C36217421_decoy,HS90A,Decoy,0.0,-11.8437,-8.24,-4.04,-9.63911157189212
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CO/N=C1/C=C2CC[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3CC[C@]4(O)C(C)=O)[C@@]2(C)CC1,C36367791_decoy,HS90A,Decoy,0.0,-10.0617,-6.14,-2.64,-6.302183287588394
Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,C08671587_decoy,HS90A,Decoy,0.0,-9.76642,-11.97,-3.04,-10.85611281410545
CCN(CCC1=c2ccccc2=[NH+][C@H]1/C=C1\C(=O)N=C([O-])N(c2ccc(Cl)cc2)C1=O)C(=S)NC,C38760288_decoy,HS90A,Decoy,0.0,-10.6066,-9.11,-2.26,-10.08780117228322
CCOCC(=O)N[C@H]1CN(CC(C)C)c2ccccc2N(CC(=O)Nc2ccc3ncsc3c2)C1=O,C39201165_decoy,HS90A,Decoy,0.0,-9.28212,-7.99,-2.97,-8.500002896116706
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3OC)c(=O)c2[C@]12C(=O)N(C(C)C)c1ccccc12,C39918636_decoy,HS90A,Decoy,0.0,-8.67775,-5.56,-1.64,-6.275635116069624
Cc1ccccc1-n1c(SCc2nc(C(=O)N3CCC(C(N)=O)CC3)cs2)nnc1-c1ccco1,C40368275_decoy,HS90A,Decoy,0.0,-9.72378,-7.93,-2.51,-7.925270575138867
COc1cc([C@@H]2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3ncnn32)ccc1OCC(=O)N1CCCCC1,C41023639_decoy,HS90A,Decoy,0.0,-9.63552,-9.64,-4.77,-9.7407707599649
CC(=O)Oc1ccc([C@H]2[NH2+][C@](C(=O)[O-])(c3ccccc3)[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@@H]23)cc1,C43218956_decoy,HS90A,Decoy,0.0,-8.68177,-6.03,-3.92,-5.742627689153811
Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3sc(C)nc3C)[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1,C43259846_decoy,HS90A,Decoy,0.0,-10.7377,-9.02,-5.29,-9.451469395833149
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@H](O)C[C@H]5C(=O)OC)CC[C@@]4(C)[C@H]3CC[C@]21C,C43741419_decoy,HS90A,Decoy,0.0,-9.73882,-6.71,-3.22,-6.544179577407529
Cc1cc(C)c2c(c1)n(CC(=O)Nc1ccc3c(c1)C[C@]1(C3)C(=O)NC(=O)N1C)c(=O)n2-c1ccccn1,C45498213_decoy,HS90A,Decoy,0.0,-8.06885,-11.12,-2.32,-7.358429994475695
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(N2CCCCC2=O)c1,C49487388_decoy,HS90A,Decoy,0.0,-11.0045,-9.38,-1.86,-8.824795270450656
O=C(NCCc1csc2nc(-c3ccccc3F)nn12)C(=O)Nc1cccc(N2CCCCC2=O)c1,C49504891_decoy,HS90A,Decoy,0.0,-10.5173,-8.79,-1.16,-9.154929408248076
Cc1c(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,C16249129_decoy,HS90A,Decoy,0.0,-9.56466,-8.73,-4.07,-8.858969436054124
Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)s3)CC2=O)c1,C08905672_decoy,HS90A,Decoy,0.0,-10.3461,-9.53,-0.85,-7.977746603108314
[H]/N=c1/c(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCC3)[nH]n1-2,C20502133_decoy,HS90A,Decoy,0.0,-8.68018,-6.52,-4.02,-5.754916676414809
CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1,C57315944_decoy,HS90A,Decoy,0.0,-11.7692,-8.19,-2.67,-7.891065862616679
COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1Oc1c(N)n(C)c(=O)n(C)c1=O,C59599448_decoy,HS90A,Decoy,0.0,-9.17827,-8.12,-1.39,-6.923121396647658
[H]/N=c1/c(=C/c2cc(C)n(-c3ccc([C@@H](C)CC)cc3)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCCC3)[nH]n1-2,C41083767_decoy,HS90A,Decoy,0.0,-9.56454,-6.75,-3.29,-5.717993969253143
C[C@H]1c2ccc(OCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-])cc2OC(=O)[C@@H]1Cc1ccccc1,C63350561_decoy,HS90A,Decoy,0.0,-7.78547,-7.97,-1.85,-6.6185960284425445
O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1,C02376084_decoy,HS90A,Decoy,0.0,-9.49852,-9.87,-1.67,-8.56833560824504
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CCCCC1,C03842161_decoy,HS90A,Decoy,0.0,-9.34901,-5.89,-1.73,-7.284149077784392
C#CCN(C)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)CS(=O)(=O)c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04222085_decoy,HS90A,Decoy,0.0,-11.3095,-6.32,-4.92,-7.695212439795431
O=C(CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1)Nc1ccc([N+](=O)[O-])cc1,C08908714_decoy,HS90A,Decoy,0.0,-9.5677,-7.05,-2.1,-5.869598460295271
CCOC(=O)C1=c2s/c(=C\c3ccccc3OC)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccccc1OC,C00860080_decoy,HS90A,Decoy,0.0,-9.88715,-4.99,-2.54,-6.074912547651627
COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N23)cc1,C02092611_decoy,HS90A,Decoy,0.0,-8.9178,-6.41,-3.75,-6.0599804520853855
Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c2ccc(N(C)C)cc2)cc1,C09080139_decoy,HS90A,Decoy,0.0,-10.3753,-8.15,-2.13,-8.997906422092319
O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1,C09424774_decoy,HS90A,Decoy,0.0,-9.71237,-8.82,-2.31,-9.065029775145687
CCOC(=O)NC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)sc2c1CCC2,C10761276_decoy,HS90A,Decoy,0.0,-10.9923,-8.28,-2.76,-11.330043968446963
COC(=O)NC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc2c1CCCC2,C11130107_decoy,HS90A,Decoy,0.0,-10.4066,-9.98,-5.17,-11.777341339602934
Cc1ccc(N2C[C@@H](C(=O)Nc3cc(-c4ccco4)nn3-c3nc(-c4ccccc4)cc(=O)[nH]3)CC2=O)cc1,C12009374_decoy,HS90A,Decoy,0.0,-9.29368,-8.8,-1.26,-7.947135508678272
CC(=O)Nc1cccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c1,C09519822_decoy,HS90A,Decoy,0.0,-11.1906,-9.36,-1.88,-9.336427463598008
CCOC(=O)C1=C(CN(Cc2cccnc2)C(=O)c2cccc(F)c2)NC(=O)N[C@@H]1c1cccc(F)c1,C12412627_decoy,HS90A,Decoy,0.0,-8.96194,-8.76,-4.16,-9.604571220616435
O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)NCc1ccco1,C00883648_decoy,HS90A,Decoy,0.0,-9.85976,-10.83,-1.77,-8.569159781200511
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C(F)(F)F)cc2)N2CCN(c3ncccn3)CC2)n1,C14160506_decoy,HS90A,Decoy,0.0,-6.18977,-8.53,-3.37,-6.25925019766819
O=C(CCC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1)Nc1cccc(C(=O)N2CCCCCC2)c1,C14557005_decoy,HS90A,Decoy,0.0,-9.78792,-10.58,-6.45,-8.549891123576828
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)[C@]23C=C[C@H]1O3,C20106458_decoy,HS90A,Decoy,0.0,-10.2365,-5.63,-3.51,-6.7965204998639805
COc1c2c(cc3c1[C@H](c1c([O-])[nH]c(=S)n(-c4cccc(C(F)(F)F)c4)c1=O)[NH+](C)CC3)OCO2,C17146761_decoy,HS90A,Decoy,0.0,-8.39041,-6.02,-1.01,-5.589699494076537
CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)N=C(C)N3)cc1OCC,C20494428_decoy,HS90A,Decoy,0.0,-8.15471,-8.55,-2.08,-9.788026059057168
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2ccccc2C)c1,C21577345_decoy,HS90A,Decoy,0.0,-11.2389,-8.01,-1.54,-8.738442512246628
O=C(C[C@H]1S/C(=N/N=C/c2ccco2)N(c2ccc(O)cc2)C1=O)Nc1ccc(Br)cc1,C33528593_decoy,HS90A,Decoy,0.0,-10.9665,-9.21,-2.58,-10.8079141539444
N#Cc1ccccc1[C@@H]1[NH2+][C@](Cc2ccc([N+](=O)[O-])cc2)(C(=O)[O-])[C@@H]2C(=O)N(Cc3ccccn3)C(=O)[C@H]21,C33776878_decoy,HS90A,Decoy,0.0,-6.3746,-6.34,-3.6,-5.274161427271296
CC(=O)c1sc2c(c1C)c(=O)n(CC(=O)Nc1ccccc1C)c(=O)n2CC(=O)NC1CCCCC1,C34778586_decoy,HS90A,Decoy,0.0,-10.084,-9.47,-3.31,-9.150978103482924
Cc1cccc2c1NC(=O)[C@@]21[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21,C35851860_decoy,HS90A,Decoy,0.0,-8.86194,-7.07,-2.36,-5.782104406748517
CC(C)C[C@@H](C(=O)NCc1cccnc1)N1CC2=C(C1=O)[C@H](c1ccccc1C(F)(F)F)NC(=O)N2C,C35966827_decoy,HS90A,Decoy,0.0,-7.92259,-9.7,-2.88,-8.603250229912486
C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CN([C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)C2=O,C35969102_decoy,HS90A,Decoy,0.0,-10.5718,-9.63,-3.58,-10.096647187151422
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)CO/N=C1/C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,C36367793_decoy,HS90A,Decoy,0.0,-9.28554,-6.7,-2.01,-6.275116503714241
O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2,C08685585_decoy,HS90A,Decoy,0.0,-8.23805,-8.18,-2.94,-7.681453303422781
Cc1cccc2c(=O)cc(C(=O)Nc3sc4c(c3C(=O)N[C@H]3CCS(=O)(=O)C3)CC[C@H](C)C4)oc12,C38644095_decoy,HS90A,Decoy,0.0,-9.98147,-10.71,-3.17,-9.929431855514212
CC(C)S(=O)(=O)C1=C[C@@H]2CN3N[P@@](=O)(S(=O)(=O)C(C)C)OC[C@@H]3C[C@@H]2C=C1c1ccccc1O,C39469844_decoy,HS90A,Decoy,0.0,-7.6778,-5.13,-3.69,-5.090494280299141
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=C1c1ccccc1O,C39470041_decoy,HS90A,Decoy,0.0,-8.55532,-5.12,-3.63,-5.036734960994692
CC1=C[C@H](NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4cccs4)C(=O)N23)N=N1,C39556147_decoy,HS90A,Decoy,0.0,-12.2429,-9.75,-2.37,-10.359938278360294
COc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2C(=O)N2CCc3ccccc3C2)cc1OC,C39700054_decoy,HS90A,Decoy,0.0,-8.1735,-7.85,-5.75,-7.530348162633939
C[C@H]1CCc2c(sc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C39836200_decoy,HS90A,Decoy,0.0,-10.8328,-9.04,-2.63,-12.265767320651603
C[C@H]1CCc2c(sc(NC(=O)CCc3ncc(-c4ccccc4)o3)c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C41019552_decoy,HS90A,Decoy,0.0,-12.3077,-9.49,-2.37,-9.551478318748966
O=C(NC[C@H]1CCCO1)[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCN1C(=O)c1cnc2ccccc2n1,C43260550_decoy,HS90A,Decoy,0.0,-8.63599,-8.59,-2.67,-7.604993903971114
COC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C(=O)NCc3ccccc3)C2)cc1,C44163156_decoy,HS90A,Decoy,0.0,-9.89978,-6.19,-5.27,-7.572931317566482
O=C(N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1,C52618919_decoy,HS90A,Decoy,0.0,-10.0406,-11.07,-3.96,-12.720346994677078
O=C(NC1=C[C@@H](c2cccnc2)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,C52637604_decoy,HS90A,Decoy,0.0,-9.1603,-6.9,-3.81,-5.389408992255476
COc1ccc(CCN2C(=O)[C@H]3[C@H](C(=O)NCc4cccs4)[C@]4(C)C=C[C@]3(O4)[C@@H]2C(=O)NC(C)(C)C)cc1,C01380951_decoy,HS90A,Decoy,0.0,-10.7064,-7.64,-1.47,-9.80341310050438
COc1ccc(Cn2c(C)cc3c(c2=O)C=C2CC[C@H]([C@@H](C)Cn4cnc(=[NH2+])c5[n-]cnc54)C[C@@H]2O3)cc1,C40915392_decoy,HS90A,Decoy,0.0,-9.32512,-7.81,-1.81,-6.705625400147712
CCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12C(=O)N(C)c1ccc(Br)cc12,C59293288_decoy,HS90A,Decoy,0.0,-7.58049,-4.78,-1.0,-5.6616594049597975
O=C(CC(=O)/N=C1/N[C@@H](c2ccccc2)CS1)C[C@@H](NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1,C59434838_decoy,HS90A,Decoy,0.0,-8.43698,-10.34,-3.14,-8.702539593487412
Cc1ccc(NC(=O)/N=C(/Nc2nc(C)cc(C)n2)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1,C14161404_decoy,HS90A,Decoy,0.0,-9.7397,-6.0,-4.14,-6.290707768404388
Cc1cc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)ccc1Br,C59858830_decoy,HS90A,Decoy,0.0,-10.4962,-6.35,-0.93,-5.843634499904315
[H]/N=c1/c(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)c(=O)nc2s/c(=C/C(=O)N3CCOCC3)[nH]n1-2,C37868208_decoy,HS90A,Decoy,0.0,-8.9184,-10.84,-4.59,-7.395071081069514
[H]/N=c1/c(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCCC3)[nH]n1-2,C33600353_decoy,HS90A,Decoy,0.0,-9.08886,-7.04,-1.17,-6.081565950298484
[H]/N=c1/c(=C/c2cn(Cc3ccccc3C)c3ccccc23)c(=O)nc2s/c(=C/C(=O)N3CCCCC3)[nH]n1-2,C34829343_decoy,HS90A,Decoy,0.0,-10.1751,-7.1,-4.23,-6.500612462042646
[H]/N=c1/c(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c(=O)nc2s/c(=C/C(=O)N3CCCC3)[nH]n1-2,C34744872_decoy,HS90A,Decoy,0.0,-9.39015,-7.25,-3.37,-6.317694828859183
CC1=C[C@@H](NC(=O)CN2C(=O)N(CCC(=O)NCCc3ccc(Cl)cc3)C(=O)[C@H]3SC=C[C@H]32)N=N1,C63448263_decoy,HS90A,Decoy,0.0,-10.5887,-9.3,-1.76,-9.232695655633709
O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc(-c5cccc(F)c5)co4)cc3)nc2)C(=O)N1,C03819270_decoy,HS90A,Decoy,0.0,-10.682,-7.28,-0.43,-7.727917819427802
CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)C4CCN(C(C)=O)CC4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04222115_decoy,HS90A,Decoy,0.0,-7.3834,-5.2,-4.18,-4.713230790564372
C[C@H](C(=O)N1CCSCC1)[C@@H]1CC[C@]2(C)Cc3sc(NC(=O)CS(=O)(=O)c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04222088_decoy,HS90A,Decoy,0.0,-10.8175,-6.18,-4.13,-6.428259718710818
COC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[C@@H](C)C2,C09298068_decoy,HS90A,Decoy,0.0,-10.0107,-7.65,-2.94,-10.067434918146764
O=C(CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NC[C@@H]2CCCO2)CC1)NC1CCCC1,C09473433_decoy,HS90A,Decoy,0.0,-11.6932,-9.1,-2.03,-10.26643497767004
Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)n3)sc2c1,C09700034_decoy,HS90A,Decoy,0.0,-11.1569,-8.25,-1.59,-7.383422599787208
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)[nH]c(=O)c1C,C11855022_decoy,HS90A,Decoy,0.0,-11.0961,-8.72,-2.93,-9.740317678389994
CCOC(=O)NC(=O)c1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc(C)c1C,C12467486_decoy,HS90A,Decoy,0.0,-10.1347,-7.87,-1.93,-9.936436516252137
Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)c(=O)n(C)c1=O,C12541514_decoy,HS90A,Decoy,0.0,-8.28589,-8.53,-0.05,-7.12008489288231
C[C@]12C=C[C@]3(O1)[C@H](C(=O)N(C[C@@H]1CCCO1)[C@@H]3C(=O)NCc1ccccc1)[C@@H]2C(=O)NC1CCCCC1,C12642182_decoy,HS90A,Decoy,0.0,-10.7853,-8.34,-3.72,-9.024902757329103
O=C(CCCC(=O)Nc1ccccc1C(=O)N1CCCCCC1)Nc1ccccc1C(=O)N1CCCCCC1,C14003270_decoy,HS90A,Decoy,0.0,-10.1258,-7.27,-2.62,-8.932594162565756
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C,C14359742_decoy,HS90A,Decoy,0.0,-9.16616,-9.41,-1.0,-9.12407266041651
COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1,C15306458_decoy,HS90A,Decoy,0.0,-7.69015,-6.17,-2.75,-5.76720108265018
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)c1C,C09271200_decoy,HS90A,Decoy,0.0,-9.5355,-7.92,0.08,-9.731095307488983
O=C(Cc1ccccc1)Nc1nnc(SCC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)s1,C20646414_decoy,HS90A,Decoy,0.0,-10.4723,-8.87,-1.32,-7.419518728728447
CC(=O)Nc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3cccs3)=NC2=O)cc1,C28067476_decoy,HS90A,Decoy,0.0,-11.397,-5.72,-3.1,-6.268024446847149
CC[C@@H](C)[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(OC)cc(OC)c2C(=O)OC)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21,C33497938_decoy,HS90A,Decoy,0.0,-9.28221,-8.01,-2.83,-9.0165247635817
CC[C@@H](C)[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(OC)c(C)c2OC)[C@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]21,C33534857_decoy,HS90A,Decoy,0.0,-9.89834,-5.13,-2.08,-6.3684858560902615
Cc1nn(Cc2nc(-c3cc(C(N)=O)c(C)n3CCCN3CCCC3=O)cs2)c(C)c1Br,C33556632_decoy,HS90A,Decoy,0.0,-11.3825,-8.58,-0.94,-9.979860408018782
CCCOc1ccc([C@@H]2[NH2+][C@](CC3CCCCC3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]32)cc1,C33638012_decoy,HS90A,Decoy,0.0,-9.89871,-5.93,-1.41,-6.846196015466368
[H]/N=c1/c(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c(=O)nc2s/c(=C/C(=O)N3CCCC3)[nH]n1-2,C34367800_decoy,HS90A,Decoy,0.0,-8.86342,-7.95,-0.83,-6.551092345425299
CCOC(OCC)c1nc2c(c(=O)[nH]1)CN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,C35417532_decoy,HS90A,Decoy,0.0,-6.99859,-8.18,-2.23,-5.735523566913186
NC(=O)COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccn2)cc1,C35514368_decoy,HS90A,Decoy,0.0,-9.60284,-5.06,-0.78,-5.514048905568659
O=C(CO[C@H]1[C@H]([C@@H]2COC3(CCCCC3)O2)O[C@H]2OC3(CCCCC3)O[C@@H]21)NNC(=O)c1cccc(F)c1,C36185392_decoy,HS90A,Decoy,0.0,-9.0635,-8.5,-2.49,-7.494428375709221
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccccc2C)N(C(=O)[C@@H]2CCC(=O)N2)C2CCCCC2)cc1,C36490699_decoy,HS90A,Decoy,0.0,-9.37091,-8.64,-2.05,-10.515402219496016
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C(=O)[C@@H]2CCC(=O)N2)C(C)(C)C)cc1,C36591562_decoy,HS90A,Decoy,0.0,-9.7476,-9.31,-1.54,-10.615371768420989
CC(C)=CC(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(O)cc1,C36599339_decoy,HS90A,Decoy,0.0,-10.0469,-9.39,-4.54,-11.913156546739684
CCC[C@@]12CN(C(=O)/C=C/c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)C[C@@H]1C(=O)NC(=O)N2,C39195374_decoy,HS90A,Decoy,0.0,-9.06831,-9.16,-1.95,-7.771502752520477
CC(=O)Nc1ccc(NC(=O)CN2C(=O)[C@]3(CCCN3C(=O)OCc3ccccc3)[C@H]2c2ccccc2)cc1,C39265828_decoy,HS90A,Decoy,0.0,-9.53223,-6.64,-3.0,-6.915832177138473
CC[C@H]1N=N[C@H](NS(=O)(=O)c2ccc(NC(=O)[C@H]3N=NC=C3I)cc2)S1,C39444854_decoy,HS90A,Decoy,0.0,-10.7329,-9.12,-1.3,-7.699138169328108
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)[C@H]1CN(CC(=O)N2CCCCC2)c2ccccc21,C39701903_decoy,HS90A,Decoy,0.0,-9.91026,-10.8,-1.45,-11.567282487428445
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)[C@H]1CN(CC(=O)N2CCCCCC2)c2ccccc21,C39707114_decoy,HS90A,Decoy,0.0,-8.91881,-10.28,-2.65,-8.748575228203263
CCCN1C(=O)[C@]2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccccc4OC)c(=O)c32)c2ccccc21,C39918638_decoy,HS90A,Decoy,0.0,-8.37,-6.34,-2.39,-6.188264561177502
CC(C)(C)N1C(=O)[C@H]2[C@@H](c3cccc(OC(F)(F)F)c3)[NH2+][C@@](COCc3ccccc3)(C(=O)[O-])[C@@H]2C1=O,C43211928_decoy,HS90A,Decoy,0.0,-8.14305,-9.82,-3.21,-8.861626252308323
COc1ccc([C@H]2[NH2+][C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c(OC)c1C,C33596504_decoy,HS90A,Decoy,0.0,-8.83556,-4.97,-4.42,-6.179505674729184
CC[C@@H](C)[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cccc(OC)c2OCc2ccccc2)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21,C43221582_decoy,HS90A,Decoy,0.0,-8.90412,-9.03,-2.48,-11.30070777870901
Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3sc(C)nc3C)[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1,C43259851_decoy,HS90A,Decoy,0.0,-10.2648,-6.3,-3.06,-7.90634448786026
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@H]5C(=O)OC)CC[C@@]4(C)[C@H]3CC[C@]21C,C43741421_decoy,HS90A,Decoy,0.0,-9.29399,-6.29,-1.99,-5.838272972669321
Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])[NH2+][C@@H]2/C=C/c1ccccc1,C44174335_decoy,HS90A,Decoy,0.0,-7.46823,-7.13,-3.35,-6.566284971381719
Cn1cc(/C=C2\Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(N3C[C@H]4CC[C@@H](C3)O4)ccnc21,C49071843_decoy,HS90A,Decoy,0.0,-11.7186,-5.79,-2.11,-6.68197771147966
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(F)cc32)[C@]12C(=O)Nc1ccccc12,C49885727_decoy,HS90A,Decoy,0.0,-7.78436,-7.06,-2.51,-5.844646880342208
Cc1c(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)S2)c(=O)n(-c2ccccc2)n1C,C13660763_decoy,HS90A,Decoy,0.0,-9.7375,-10.06,-1.12,-8.658553755014914
COc1ccc([C@H]2C=C(c3cccs3)NN2C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)cc1OC,C03379869_decoy,HS90A,Decoy,0.0,-11.2382,-9.05,-2.48,-9.62613461205932
O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1,C13636512_decoy,HS90A,Decoy,0.0,-8.09455,-8.86,-1.74,-7.148441718287567
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)N(CCBr)c5ccccc54)[C@@H]3C2=O)cc1,C18046334_decoy,HS90A,Decoy,0.0,-9.03088,-5.16,-1.92,-6.134889584953378
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2)C1,C59788668_decoy,HS90A,Decoy,0.0,-11.0175,-10.39,-5.54,-9.275675713352287
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C)N[C@]4(C(=O)N(CCBr)c5ccccc54)[C@H]3C2=O)cc1,C15319891_decoy,HS90A,Decoy,0.0,-10.1128,-10.1,-1.44,-10.397303242640414
[H]/N=c1/c(=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c(=O)nc2s/c(=C/C(=O)N3CCOCC3)[nH]n1-2,C20358334_decoy,HS90A,Decoy,0.0,-11.1104,-6.87,-3.24,-6.697114696029316
CCN(CCC1=c2ccccc2=[NH+][C@@H]1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1[O-])C(=S)NC,C38760285_decoy,HS90A,Decoy,0.0,-9.01907,-7.85,-1.42,-7.611349967099344
COc1c2c(cc3c1[C@@H](CN/C=C1\C(=O)NC(=S)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2,C02091272_decoy,HS90A,Decoy,0.0,-9.27818,-5.22,-1.05,-5.718366175665261
CC(=O)c1c(C)[nH]c(C(=O)c2sc(-c3c(N)n(C)c(=O)n(C)c3=O)nc2C2CCCC2)c1C,C02659394_decoy,HS90A,Decoy,0.0,-9.87205,-7.95,-1.48,-8.96016536224556
O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNC(=O)Nc1cccc(C(F)(F)F)c1,C06058938_decoy,HS90A,Decoy,0.0,-8.20686,-7.32,-3.15,-5.467563085827001
Cc1ccc(N2C(=O)NC(=O)/C(=C/NNc3nc4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1C,C09192441_decoy,HS90A,Decoy,0.0,-8.5644,-8.1,-0.79,-7.463062216099752
O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)Nc1ccc(F)cc1,C09382029_decoy,HS90A,Decoy,0.0,-8.09557,-11.09,-1.95,-8.584241571273132
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC1,C09384284_decoy,HS90A,Decoy,0.0,-10.5674,-6.55,-2.88,-7.402577859141247
Nc1c(N(Cc2ccco2)C(=O)[C@H]2COc3ccccc3O2)c(=O)[nH]c(=O)n1Cc1ccccc1,C09793790_decoy,HS90A,Decoy,0.0,-7.74782,-6.3,-2.57,-6.4189475107246095
CC1CCC2(CC1)NC(=O)N(NC(=O)CN1C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C1=O)C2=O,C10971401_decoy,HS90A,Decoy,0.0,-8.20859,-10.98,-2.57,-7.562416277264821
C=CCSc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CCCC3=O)s1,C12363647_decoy,HS90A,Decoy,0.0,-8.51995,-5.5,-2.02,-5.326620112993516
Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12,C13084107_decoy,HS90A,Decoy,0.0,-11.0499,-9.51,-0.56,-9.59811615893249
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCNC1=NS(=O)(=O)c2ccccc21,C13134607_decoy,HS90A,Decoy,0.0,-10.0446,-9.27,-2.88,-8.70028284219021
C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc(-n2ccnc2)cc1,C08826016_decoy,HS90A,Decoy,0.0,-10.447,-9.3,-2.27,-9.010798094964157
Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2,C14186325_decoy,HS90A,Decoy,0.0,-10.36,-8.49,-0.52,-9.362702711508538
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1,C14232277_decoy,HS90A,Decoy,0.0,-9.94969,-7.59,-0.78,-7.292251879896156
NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1,C17150099_decoy,HS90A,Decoy,0.0,-9.79134,-6.92,-0.8,-5.763945950300883
NC(=O)C1CC[NH+](C2CCN(C(=O)c3ccc4c(c3)nc([S-])n3c5ccccc5nc43)CC2)CC1,C20643755_decoy,HS90A,Decoy,0.0,-10.7338,-6.29,-2.7,-5.980655821444646
Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n(C)c1=O,C20823512_decoy,HS90A,Decoy,0.0,-8.90609,-9.06,-2.76,-10.479623568605357
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1cn(C)c3ccccc13)C2=O,C24320128_decoy,HS90A,Decoy,0.0,-9.51138,-9.4,-4.42,-9.173534769270804
O=C(CNC(=O)c1ccccc1I)NNC(=O)[C@H]1COc2ccccc2O1,C26976842_decoy,HS90A,Decoy,0.0,-9.41219,-9.62,-1.9,-7.068676496112982
COc1ccccc1[C@H]1CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)NC1,C28827323_decoy,HS90A,Decoy,0.0,-7.81954,-6.61,-1.79,-6.96517469033649
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)C1=O,C29379569_decoy,HS90A,Decoy,0.0,-9.17446,-8.75,-2.96,-8.279858680926248
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N[C@H](C(N)=O)c3ccccc3)c12,C32876571_decoy,HS90A,Decoy,0.0,-9.46027,-8.28,-1.07,-8.361465933267564
CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@](CO)(C(=O)[O-])[NH2+][C@H]2c1cccc(Oc2cccc(C(F)(F)F)c2)c1,C33375045_decoy,HS90A,Decoy,0.0,-8.20885,-9.21,-2.62,-11.438563433954045
CC(C)(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)[O-])[NH2+][C@H]2c1cccc(OC(F)(F)F)c1,C33759462_decoy,HS90A,Decoy,0.0,-8.47288,-9.73,-0.75,-9.015472342713046
COCCCN1C(=O)[C@@H]2[C@@H]([C@H](O)c3ccc(Cl)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O,C35883632_decoy,HS90A,Decoy,0.0,-9.79255,-6.19,-0.96,-6.510960498150028
NC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)CCC3,C37641102_decoy,HS90A,Decoy,0.0,-10.3173,-9.31,-1.43,-8.828328524623217
Cc1cccc(N2[C@@H](SCC(=O)Nc3nc(C)cs3)N=N[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361762_decoy,HS90A,Decoy,0.0,-10.6451,-10.07,-2.59,-9.651443706615172
Cc1cccc(N2[C@@H](SCC(=O)Nc3nnc(C)s3)N=N[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361764_decoy,HS90A,Decoy,0.0,-10.134,-10.17,-2.18,-10.404240614501244
Cc1csc(NC(=O)CS[C@H]2N=N[C@@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccc(Cl)cc2)n1,C39363131_decoy,HS90A,Decoy,0.0,-13.2903,-9.44,-3.04,-10.941584193579722
CC(=O)N1CCC(C(=O)N2C[C@H](C(=O)NCC3CCC(C(=O)[O-])CC3)C3(CC[NH2+]CC3)C2)CC1,C39662768_decoy,HS90A,Decoy,0.0,-9.16249,-5.82,-3.25,-6.637674933630926
CCOc1cccc(C(=O)N2C[C@H](C(=O)NCC3CCC(C(=O)[O-])CC3)C3(CC[NH2+]CC3)C2)c1,C39662854_decoy,HS90A,Decoy,0.0,-10.0576,-7.76,-1.67,-9.523243713496642
COc1c(C(=O)N2C[C@H](C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)C3(CC[NH2+]CC3)C2)csc1Cl,C39682521_decoy,HS90A,Decoy,0.0,-9.21121,-6.77,-1.68,-7.9628096239190675
CCOC(=O)[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2CC)CC(=O)N3)C1,C40383236_decoy,HS90A,Decoy,0.0,-8.55853,-8.86,-0.95,-8.03827543775486
O=C1[C@H]2[C@@H](c3ccc(Br)s3)[NH2+][C@@](CO)(C(=O)[O-])[C@@H]2C(=O)N1CCc1ccccn1,C33913967_decoy,HS90A,Decoy,0.0,-9.87624,-7.23,-1.4,-7.543261081199882
C[NH2+]CCN1C(=O)[C@H]2[C@@H](c3ccccc3C#N)N[C@@](Cc3ccc4ccccc4c3)(C(=O)[O-])[C@@H]2C1=O,C43218479_decoy,HS90A,Decoy,0.0,-8.74985,-5.32,-2.7,-6.416033027463119
COc1ccc([C@@H]2[NH2+][C@@](C(=O)[O-])([C@H](C)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]23)c2ccccc12,C43221032_decoy,HS90A,Decoy,0.0,-9.00861,-5.54,-1.18,-5.913174028387022
COc1ccc(Br)cc1[C@H]1[NH2+][C@](C(=O)[O-])([C@@H](C)O)[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]12,C43221853_decoy,HS90A,Decoy,0.0,-9.78123,-5.15,-1.6,-6.600239653085778
NC(=O)[C@@H]1CN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c2ccccc2O1,C45631215_decoy,HS90A,Decoy,0.0,-9.14664,-6.07,-2.55,-6.6810127510374135
Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1,C49522752_decoy,HS90A,Decoy,0.0,-9.1614,-8.88,-3.69,-7.042388945894104
CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)CC1,C49522767_decoy,HS90A,Decoy,0.0,-10.8261,-9.28,-3.23,-9.41430330062042
O=C1[C@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1C[C@@H]1CCCO1,C15972553_decoy,HS90A,Decoy,0.0,-10.2598,-8.04,-0.29,-7.226940263827434
O=C1[C@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1C[C@H]1CCCO1,C20572409_decoy,HS90A,Decoy,0.0,-8.25044,-6.87,-3.86,-5.858784578892534
Nc1c(N(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(C3CC3)C2)c(=O)[nH]c(=O)n1Cc1ccccc1,C57566625_decoy,HS90A,Decoy,0.0,-7.96807,-7.45,-1.61,-7.1656033779522215
N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)Nc2ccccc2F)[C@@H]1c1ccco1,C59293334_decoy,HS90A,Decoy,0.0,-10.0768,-5.53,0.12,-6.933864295159321
COc1ccccc1CN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O,C15958196_decoy,HS90A,Decoy,0.0,-10.73,-7.45,-1.08,-8.361273971304986
Cc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2c[nH]c3ccccc23)c1,C03333173_decoy,HS90A,Decoy,0.0,-8.33259,-8.61,-1.86,-7.472266109179502
Cc1ccc2c(c1)S[C@@H](NC(=O)C1CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC1)N2,C63698353_decoy,HS90A,Decoy,0.0,-9.8177,-9.96,-1.87,-8.795997795274092
O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1)c1ccccc1F,C01899656_decoy,HS90A,Decoy,0.0,-7.89292,-8.34,-0.0,-11.030843199672775
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)[NH2+]CC2,C20113746_decoy,HS90A,Decoy,0.0,-9.67296,-5.1,-1.39,-6.018422746498632
COc1ccccc1N1C(=O)NC(=O)/C(=C2\C[C@H](c3ccc(OC)c(OC)c3OC)NN2)C1=O,C64788590_decoy,HS90A,Decoy,0.0,-8.62839,-5.04,-1.11,-6.149050729284316
COc1ccc(-n2c(=O)[nH]c3cc([C@@H]4N[C@@H](c5cccc(OC)c5OC)NO4)ccc3c2=O)cc1,C64870157_decoy,HS90A,Decoy,0.0,-8.31856,-5.73,-2.04,-5.482484314526536
CCC[C@@H]1CCc2c(sc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2C(N)=O)C1,C04030514_decoy,HS90A,Decoy,0.0,-10.5037,-8.13,-0.8,-8.194947554632376
NC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\CC1CCCCC1)N2CC1CCCCC1,C08296106_decoy,HS90A,Decoy,0.0,-11.9319,-8.7,-1.63,-12.326686184940993
COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2,C02123499_decoy,HS90A,Decoy,0.0,-10.3125,-8.58,-2.43,-8.442882334693124
Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1,C01270792_decoy,HS90A,Decoy,0.0,-12.6752,-6.23,-3.97,-7.0827877133921096
Nc1nc(N)nc(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)n1,C09126456_decoy,HS90A,Decoy,0.0,-7.89312,-9.77,-1.29,-6.871899725331139
Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2Br)n1,C03346339_decoy,HS90A,Decoy,0.0,-9.87832,-8.01,-1.1,-7.363604977319649
O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12,C09705538_decoy,HS90A,Decoy,0.0,-8.9526,-10.73,-4.08,-10.5767142381966
O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCc1c[nH]c2ccc(Cl)cc12,C12296954_decoy,HS90A,Decoy,0.0,-9.02722,-7.37,-1.01,-6.176632807403533
CCOC(=O)c1c(NC(=O)c2cccc(N)c2)sc(C(=O)Nc2cc(C)ccc2C)c1C,C01222994_decoy,HS90A,Decoy,0.0,-9.02141,-7.58,-3.05,-7.622274868490855
NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1,C09714703_decoy,HS90A,Decoy,0.0,-9.61596,-7.81,-1.21,-8.625774719769042
O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1O)N2,C13639570_decoy,HS90A,Decoy,0.0,-11.8354,-6.68,-1.57,-8.642670777754176
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2,C13639964_decoy,HS90A,Decoy,0.0,-9.84479,-9.92,-1.85,-9.746406293974468
Nc1nc(CSc2nnc(-c3ccccc3F)[nH]2)nc(Nc2ccc(F)cc2)n1,C16683386_decoy,HS90A,Decoy,0.0,-9.38703,-9.2,-0.93,-7.373508286341816
Nn1c(N/N=C/c2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(Br)c1,C20528031_decoy,HS90A,Decoy,0.0,-10.1601,-8.98,-1.29,-6.936315799090609
O=c1c([C@H]2[NH2+]CCc3c2[nH]c2ccc(Cl)cc32)c([O-])[nH]c(=S)n1CCc1ccccc1,C20621937_decoy,HS90A,Decoy,0.0,-9.91013,-9.85,-0.32,-8.592780225489957
O=S(=O)(NC1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2,C20681378_decoy,HS90A,Decoy,0.0,-11.3431,-11.76,-1.78,-9.939952163861502
Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc4ccccc34)n2N)cc1,C20806956_decoy,HS90A,Decoy,0.0,-9.63154,-10.75,-5.04,-7.727724293544416
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl,C21332064_decoy,HS90A,Decoy,0.0,-9.79926,-9.85,-1.1,-7.641373810345869
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl,C21332068_decoy,HS90A,Decoy,0.0,-9.58572,-8.48,-0.92,-7.211203689584107
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl,C22532833_decoy,HS90A,Decoy,0.0,-12.0905,-9.3,-1.76,-8.776805767724554
C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1,C22621455_decoy,HS90A,Decoy,0.0,-8.6682,-9.71,-1.52,-8.406211150338386
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N,C23632395_decoy,HS90A,Decoy,0.0,-11.3997,-7.39,-4.76,-7.3419241608974595
C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc(Br)cc1Br,C32810854_decoy,HS90A,Decoy,0.0,-9.98111,-5.56,-0.71,-5.649431159888505
Cc1nc(S[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)sc1CC(N)=O,C32871352_decoy,HS90A,Decoy,0.0,-11.0606,-5.78,-1.06,-6.908789180821267
CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC3CCCCC3)C2)cc1,C33310254_decoy,HS90A,Decoy,0.0,-10.5957,-6.2,-0.92,-6.740814365364254
Nc1c(NC(=O)NC2CC2)c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1,C34785246_decoy,HS90A,Decoy,0.0,-6.65005,-5.11,-1.39,-4.662038341610755
CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,C01805640_decoy,HS90A,Decoy,0.0,-9.98532,-8.9,-0.38,-11.894748205072448
NN1[C@@H](SCC(=O)c2ccc(-c3ccccc3)cc2)NN[C@H]1[C@@H]1C=C(c2ccccc2)N=N1,C38556214_decoy,HS90A,Decoy,0.0,-8.84899,-9.84,-4.4,-6.919368748306528
NN1[C@@H](SCc2c(Cl)cccc2Cl)NN[C@@H]1[C@@H]1C=C(c2ccc(F)cc2)N=N1,C38999761_decoy,HS90A,Decoy,0.0,-9.91976,-9.06,-1.81,-6.940818972534505
Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)[nH]c2c1,C39536056_decoy,HS90A,Decoy,0.0,-10.3045,-10.17,-0.78,-10.008070254930283
CCN1[C@@H](SCc2nc3ccccc3c(=O)[nH]2)NN[C@@H]1CC(=O)Nc1ccc(C)cc1C,C39969698_decoy,HS90A,Decoy,0.0,-9.95785,-10.07,-3.51,-7.6939904828129615
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4)[nH]c(=O)c32)c(F)c1,C40399327_decoy,HS90A,Decoy,0.0,-10.6651,-8.02,-1.99,-7.366177332715198
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(C)c1,C40399350_decoy,HS90A,Decoy,0.0,-9.67207,-9.32,-1.5,-7.179450091403151
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(Cl)c4)[nH]c(=O)c32)c(Cl)c1,C40399423_decoy,HS90A,Decoy,0.0,-10.0289,-8.76,-1.66,-7.502200778011687
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1,C45326720_decoy,HS90A,Decoy,0.0,-8.50769,-6.49,-0.93,-6.310091030035836
Cc1cccc([C@@H](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)NC(N)=O)c1,C46673022_decoy,HS90A,Decoy,0.0,-8.09696,-8.15,-0.38,-5.576226761507043
Cc1ccc(NC(=S)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C,C46772387_decoy,HS90A,Decoy,0.0,-9.06731,-8.08,-4.24,-10.811750693681043
N#C[C@@H](/C(=N/NC(N)=S)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1,C48552347_decoy,HS90A,Decoy,0.0,-9.3263,-8.54,-1.83,-9.330083085903514
CC(C)c1ccc(-n2c(=O)[nH]c([O-])c([C@H]3[NH2+]CCc4c3[nH]c3ccccc43)c2=O)cc1,C17196757_decoy,HS90A,Decoy,0.0,-7.93124,-8.33,-1.29,-6.1248473574406175
CC(C)c1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3[NH2+]CCc4c3[nH]c3ccccc43)c2=O)cc1,C17196754_decoy,HS90A,Decoy,0.0,-8.9762,-8.87,0.11,-7.584305371256599
O=C(Nc1ccc(Sc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cc(C(F)(F)F)ccc1F,C45506213_decoy,HS90A,Decoy,0.0,-8.45357,-10.09,-2.41,-7.204179328419335
Cc1cccc(NC(=S)NNC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1C,C28615466_decoy,HS90A,Decoy,0.0,-10.0922,-9.02,-0.79,-13.023318596863172
NC(=O)N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccs1,C58537242_decoy,HS90A,Decoy,0.0,-9.34994,-7.47,-1.18,-9.235781981423756
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)c(C)c1,C06271639_decoy,HS90A,Decoy,0.0,-10.6768,-9.88,-1.37,-8.059947257890908
CC1=C(C(=O)N/N=C/c2ccc(N(C)C)cc2)[C@@H](c2ccc(O)cc2)NC(=S)N1,C59385099_decoy,HS90A,Decoy,0.0,-10.4239,-6.01,-1.8,-6.886991804362375
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(NC(N)=O)cc1,C59894568_decoy,HS90A,Decoy,0.0,-7.838,-10.21,-3.54,-7.333972459218648
O=C(Nc1ccc(NC(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1)NC1CCCC1,C65315454_decoy,HS90A,Decoy,0.0,-9.86732,-5.38,-4.79,-5.580044584613447
C=CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)C1,C65315516_decoy,HS90A,Decoy,0.0,-9.11955,-9.54,-3.61,-6.894497776499883
CCCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)C1,C65315537_decoy,HS90A,Decoy,0.0,-10.1614,-5.65,-2.85,-6.448830932345072
CCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)Nc3ccc(C)cc3C)c2)C1,C65315574_decoy,HS90A,Decoy,0.0,-9.83657,-10.56,-5.17,-9.457168552451266
Cc1cc(O)cc(O)c1C(=O)c1c(O)cccc1Cc1cc(=O)cc(O)o1,C03850734_decoy,HS90A,Decoy,0.0,-8.88948,-9.15,-1.46,-8.891256625869314
NC(=O)c1ccccc1OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,C04341214_decoy,HS90A,Decoy,0.0,-7.49144,-6.78,-1.46,-6.396388818274934
C[C@@H](OC(=O)c1cc(Br)ccc1N)C(=O)NC(=O)NC1CCCCC1,C04246294_decoy,HS90A,Decoy,0.0,-8.99227,-7.93,-1.27,-8.015093723651493
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1,C06247782_decoy,HS90A,Decoy,0.0,-10.1416,-10.36,-0.85,-11.304553005550828
CC(C)Oc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)c1,C10471751_decoy,HS90A,Decoy,0.0,-10.4284,-9.32,-4.52,-7.888762052791745
O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCCc1c[nH]c2ccccc12,C12900838_decoy,HS90A,Decoy,0.0,-8.85305,-9.75,-2.34,-9.625343476003192
C[C@@H](Nc1ccc(Br)cc1)c1nc(N)nc(Nc2ccccc2)n1,C12517536_decoy,HS90A,Decoy,0.0,-9.42175,-8.61,0.19,-9.378563567970245
Cc1cccc(NC(=O)NC(=O)COC(=O)c2cc(Cl)ccc2N)c1C,C16252342_decoy,HS90A,Decoy,0.0,-8.11777,-7.72,-5.79,-6.792316351410252
CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)cc1O)N2,C20682281_decoy,HS90A,Decoy,0.0,-10.9067,-8.42,-1.64,-8.598469223167621
CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)cc1,C01241692_decoy,HS90A,Decoy,0.0,-9.68336,-5.88,-0.48,-8.973484652991326
O=C(CCNc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1,C24449643_decoy,HS90A,Decoy,0.0,-8.56316,-9.42,-3.19,-7.34397787665301
C#CCNC(=O)Nc1c(-c2ccccc2)nn(-c2ccc(C(F)(F)F)cc2)c1N,C34785284_decoy,HS90A,Decoy,0.0,-7.40449,-5.98,-1.6,-5.052188501727237
CCNC(=O)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3,C36812046_decoy,HS90A,Decoy,0.0,-11.2424,-8.89,-0.17,-8.455438057328553
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)c1ccc(C2CCCCC2)cc1,C38735493_decoy,HS90A,Decoy,0.0,-9.99435,-9.28,-1.99,-12.784986880244396
CC(C)(C)c1ccc([C@@H]2NN=C(SCc3nc4ccccc4[nH]3)N2N)cc1,C39927313_decoy,HS90A,Decoy,0.0,-9.63614,-7.94,-1.49,-6.933759822110408
N#C[C@H]1C2=C(CCCCCC2)S[C@H]1NC(=O)CSc1nc(N)cc(=O)[nH]1,C39962493_decoy,HS90A,Decoy,0.0,-7.78383,-6.39,-0.96,-6.092763188261408
NC(=O)Nc1cccc(C(=O)Nc2ccccc2OCCc2ccccc2)c1,C40091097_decoy,HS90A,Decoy,0.0,-9.08526,-9.69,-3.07,-10.543770379818822
Cc1ccc(NC(=S)c2c(N)nc(N3CCc4ccccc4C3)[nH]c2=O)c(C)c1,C40385582_decoy,HS90A,Decoy,0.0,-9.6885,-5.94,-2.36,-4.936545684577127
Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1Oc1cccc2ccccc12,C40683296_decoy,HS90A,Decoy,0.0,-9.14576,-7.01,-2.6,-6.016588971704748
Cc1ccnc(Nc2ncnc(Nc3ccc(Br)cc3F)c2N)c1,C40701414_decoy,HS90A,Decoy,0.0,-7.84326,-5.43,-4.01,-4.297048442065839
Cc1ccnc(Nc2ncnc(Nc3cccc(Br)c3)c2N)c1,C40701415_decoy,HS90A,Decoy,0.0,-8.53927,-5.23,-2.04,-4.37269289050972
Nc1c(Nc2cccc(Br)c2)ncnc1Nc1ccccn1,C40779124_decoy,HS90A,Decoy,0.0,-8.67762,-8.28,-0.81,-6.977956106104319
Nc1c(Nc2ccc(OC(F)(F)F)cc2)ncnc1Nc1ccccn1,C40779179_decoy,HS90A,Decoy,0.0,-7.34101,-8.65,-0.76,-6.401205637309653
CC[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccccc1C(F)(F)F,C41630197_decoy,HS90A,Decoy,0.0,-8.08687,-8.39,-1.8,-8.264549029135617
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)NCCc1c[nH]c2ccccc12,C42957757_decoy,HS90A,Decoy,0.0,-8.2902,-10.56,-1.58,-9.5371374620164
O=C(NNC(=S)NC1CCCC1)N[C@H](c1ccccc1)c1ccco1,C45156197_decoy,HS90A,Decoy,0.0,-9.09627,-8.42,-4.1,-11.96393635624086
C[C@H](CCc1ccc(O)cc1)NC(=O)NNC(=O)Cc1cccc2ccccc12,C45379831_decoy,HS90A,Decoy,0.0,-9.82087,-10.35,-1.95,-10.993579935459866
CCOc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1,C45782452_decoy,HS90A,Decoy,0.0,-8.5816,-8.73,-3.61,-11.267580252548829
Cc1ccccc1NC(=O)NNC(=O)NC1CCC(c2ccccc2)CC1,C46023364_decoy,HS90A,Decoy,0.0,-9.17843,-7.0,-1.82,-5.68790995243933
O=C(NCc1ccc(N2CCSCC2)cc1)NNC(=S)NC1CCCC1,C47036812_decoy,HS90A,Decoy,0.0,-9.74261,-9.72,-1.12,-8.81969300675167
NC(=O)Nc1cccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)c1,C47418595_decoy,HS90A,Decoy,0.0,-8.72956,-9.2,-0.74,-8.33047229697939
Cc1cc(N2CC=CCC2)nc(/N=C(\N)Nc2ccc(Br)cc2)[nH+]1,C45229695_decoy,HS90A,Decoy,0.0,-10.0169,-8.63,-1.19,-7.1410334758022485
NC(=O)Nc1cccc(C(=O)Oc2ccccc2C(=O)NC2CCCC2)c1,C54472755_decoy,HS90A,Decoy,0.0,-6.82844,-10.19,-1.58,-8.210158059491727
O=C(NCCc1ccccc1C(F)(F)F)NNC(=O)Nc1ccccc1,C54650155_decoy,HS90A,Decoy,0.0,-7.50293,-10.52,-1.74,-7.773755123962418
NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1,C14423053_decoy,HS90A,Decoy,0.0,-10.4382,-8.49,-0.26,-16.313063914232348
Cc1cc(OCC(N)=O)ccc1NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F,C56725441_decoy,HS90A,Decoy,0.0,-8.01109,-6.66,-1.88,-5.100577729726257
O=C(NCC1(c2cccc(F)c2)CCOCC1)NNC(=S)NC1CCCC1,C56800793_decoy,HS90A,Decoy,0.0,-8.11826,-8.35,-4.25,-8.509543407805237
O=C(NCc1cccc(NC(=O)C2CCCC2)c1)NNc1ccc(F)cc1,C57061209_decoy,HS90A,Decoy,0.0,-9.69368,-8.03,-0.55,-7.576063350140308
C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1,C58209729_decoy,HS90A,Decoy,0.0,-6.47964,-10.23,-2.49,-8.813866278889254
CN1C(=O)C(/C(N)=N/OCc2c(Cl)cccc2Cl)=C(N)C12CCCC2,C58342533_decoy,HS90A,Decoy,0.0,-7.55449,-5.81,-2.05,-5.503182324680791
C[NH2+]CCCNC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825586_decoy,HS90A,Decoy,0.0,-7.80145,-5.78,-0.94,-7.83838882526549
NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)CCC1CCCC1,C21943467_decoy,HS90A,Decoy,0.0,-10.1263,-6.42,-1.01,-6.822755431333943
Cc1[nH]c2ccc(CNC(=O)Nc3ccc4c(c3)CCC(=O)N4)cc2c1C,C65453799_decoy,HS90A,Decoy,0.0,-9.1671,-5.45,-0.61,-4.694071191168203
Cc1cccc(OC[C@@H](O)CNC(=O)NC2[C@@H]3CCC[C@H]2C[NH+](C2CC2)C3)c1,C66339758_decoy,HS90A,Decoy,0.0,-9.79425,-8.64,-1.19,-13.786407484410743
Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)c(C)c1,C66668790_decoy,HS90A,Decoy,0.0,-9.44271,-7.94,-2.33,-6.982850128593693
NC(=O)Nc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1,C25882343_decoy,HS90A,Decoy,0.0,-8.76866,-10.97,-2.38,-8.898100873972734
CC(C)NC(=O)Nc1ccccc1C(=O)NNC(=O)CC1CCCCC1,C66790390_decoy,HS90A,Decoy,0.0,-8.29234,-6.38,-2.01,-6.885912168612056
CCCNC(=O)Nc1ccc(CC(=O)NC[C@@]2(O)CCCc3ccccc32)cc1,C66930007_decoy,HS90A,Decoy,0.0,-9.20765,-9.98,-3.4,-9.030920807812102
C[C@@H](NC(=O)NNC(=O)CCC1CCCCC1)c1nc2ccccc2[nH]1,C67101681_decoy,HS90A,Decoy,0.0,-9.34747,-8.86,-3.18,-8.387529203950129
O=C1CCCc2cc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)ccc2N1,C67577141_decoy,HS90A,Decoy,0.0,-10.298,-9.52,-1.67,-8.043818371536906
CCOC(=O)[C@@H]1[C@H](c2cccc(O)c2)NC(=S)N[C@]1(O)C(F)(F)F,C04269859_decoy,HS90A,Decoy,0.0,-7.51453,-5.51,-3.49,-6.868155427146654
O=C(Nc1ccccn1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(O)cc1,C00956719_decoy,HS90A,Decoy,0.0,-8.93024,-6.07,-1.44,-6.60702583303089
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1N,C04180229_decoy,HS90A,Decoy,0.0,-7.83118,-9.27,-1.25,-8.148658805944134
CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1,C04623325_decoy,HS90A,Decoy,0.0,-7.66978,-5.35,0.27,-4.647654836652138
CSc1nc(N)c(NC(=O)c2ccc(Br)cc2)c(=O)[nH]1,C05081494_decoy,HS90A,Decoy,0.0,-8.36079,-6.05,-0.92,-5.89361939067038
O=C1N[C@H](c2ccccc2O)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1,C11859240_decoy,HS90A,Decoy,0.0,-6.08139,-5.95,-1.16,-5.736764545274154
CNC(=O)NC(=O)[C@H](C)Sc1nc(N)c2c(C)c(C)sc2n1,C12545281_decoy,HS90A,Decoy,0.0,-8.41982,-6.61,-0.71,-6.722742765065405
Nc1nc(N)c(F)c(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)c1F,C13445003_decoy,HS90A,Decoy,0.0,-8.71046,-6.19,0.21,-6.122486109237712
Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3sccc3C(N)=O)nc2c1,C07061189_decoy,HS90A,Decoy,0.0,-8.59546,-8.42,-0.44,-7.706351319292026
NC(=O)N[C@H](CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1,C14237897_decoy,HS90A,Decoy,0.0,-8.2533,-10.73,-1.41,-7.285988120595765
COc1ccc([C@H]2Nc3ccc(S(N)(=O)=O)cc3[C@H]3C=CC[C@H]32)cc1O,C14457016_decoy,HS90A,Decoy,0.0,-9.74312,-5.61,-1.57,-5.669658714308813
C[C@@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@H](O)[C@@H]1O,C15205486_decoy,HS90A,Decoy,0.0,-7.21754,-9.4,-0.69,-15.60546090605548
O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2[nH]ccc12,C32124042_decoy,HS90A,Decoy,0.0,-8.1224,-10.03,-1.45,-7.448634052392839
O=C(NCCc1ccc(C(F)(F)F)cc1)NNC(=O)Nc1ccccc1,C32923852_decoy,HS90A,Decoy,0.0,-7.62152,-10.04,-0.12,-8.00201962422762
C[C@H]1CCc2c(sc3nc(CSc4n[nH]c(N)n4)[nH]c(=O)c23)C1,C08692439_decoy,HS90A,Decoy,0.0,-10.1109,-7.35,-2.12,-6.454057294131301
CC1=C[C@@H]([C@@H]2NN[C@H](SCc3c(Cl)cccc3Cl)N2N)N=N1,C38986378_decoy,HS90A,Decoy,0.0,-8.90085,-8.46,-1.04,-6.049140327136764
C[C@H](NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)/C(N)=N/O,C40376634_decoy,HS90A,Decoy,0.0,-9.38796,-7.52,-0.7,-11.737681161784964
Cc1cc(C)cc(NC(=O)c2oc3c(c2C)/C(=N/NC(N)=O)CCC3)c1,C40824314_decoy,HS90A,Decoy,0.0,-8.42377,-10.64,-4.09,-8.813816561364934
C[C@@H]([NH2+][C@](C)(C(=O)[O-])c1cc2cc(Br)ccc2o1)C(N)=O,C41804882_decoy,HS90A,Decoy,0.0,-7.11892,-7.35,-1.04,-9.740757883853703
C[C@@H](NC(=O)Nc1ccc(F)c(F)c1F)c1cccc(S(N)(=O)=O)c1,C43232185_decoy,HS90A,Decoy,0.0,-8.38555,-7.6,-1.68,-6.053030247881555
C[C@@H](NC(=O)Nc1cc(F)ccc1F)c1cccc(S(N)(=O)=O)c1,C43234901_decoy,HS90A,Decoy,0.0,-7.86066,-9.03,-2.63,-6.664364962923417
NC(=O)CSc1ccccc1NC(=O)NC[C@H]1COc2ccccc2C1,C45695942_decoy,HS90A,Decoy,0.0,-8.5955,-8.65,-1.99,-8.9123490734233
Cc1ccc2c(CC(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)coc2c1C,C45834627_decoy,HS90A,Decoy,0.0,-7.72443,-10.87,-1.03,-8.668646540973812
C[C@H]1CCC[C@H](NC(=O)NNC(=O)c2cc(Br)c[nH]2)C1,C47036126_decoy,HS90A,Decoy,0.0,-7.96289,-6.81,-2.26,-6.16497161019984
C[C@@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)C12CC3CC(CC(C3)C1)C2,C48661525_decoy,HS90A,Decoy,0.0,-8.45033,-5.48,-1.75,-5.6632086332459455
C[C@@H](NC(=O)C(=O)Nc1ccccc1CC(N)=O)c1cccc2ccccc12,C48874054_decoy,HS90A,Decoy,0.0,-8.45398,-10.52,-1.76,-11.736708381652257
CC(C)(C)n1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)c1=O,C20610768_decoy,HS90A,Decoy,0.0,-7.6634,-8.13,-0.75,-6.458235531276656
C[C@H]1CCc2c(sc(NC(=O)c3ccc4[nH]cnc4c3)c2C(N)=O)C1,C08341264_decoy,HS90A,Decoy,0.0,-8.88076,-5.16,-2.2,-4.341669515971077
Cc1ccccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C32797203_decoy,HS90A,Decoy,0.0,-6.81924,-9.04,-2.03,-5.596399052660962
Cc1nc(/N=C(\N)NC(=S)Nc2ccc(F)cc2)nc2ccccc12,C06921953_decoy,HS90A,Decoy,0.0,-9.50953,-5.53,-1.78,-4.890626547491241
C[C@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)C(=O)NC(N)=O,C56202507_decoy,HS90A,Decoy,0.0,-8.70666,-9.28,-1.26,-9.235329313421854
O=C(NNC(=O)c1ccccc1F)NC1[C@@H]2CCC[C@H]1C[NH+](C1CC1)C2,C56806604_decoy,HS90A,Decoy,0.0,-7.64593,-5.36,-0.49,-4.580924333702916
O=C(NC[C@@H](NC(=O)Nc1ccccc1)C1CC1)Nc1ccccc1,C58170931_decoy,HS90A,Decoy,0.0,-7.60412,-9.74,-2.76,-9.262313469813732
Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc2ccccc2c(=O)[nH]1,C58352542_decoy,HS90A,Decoy,0.0,-7.29971,-7.33,-2.58,-6.32281356697477
Cc1nn(C(N)=S)c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2,C58899963_decoy,HS90A,Decoy,0.0,-8.00431,-5.07,-1.12,-4.508512530674175
C[C@H](NC(=O)CCn1ccc2ccccc21)c1ccc(NC(N)=O)cc1,C58915549_decoy,HS90A,Decoy,0.0,-7.4654,-9.82,-1.4,-7.861922968732276
CC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@H]1c1cccc(OCc2ccccc2)c1,C58949090_decoy,HS90A,Decoy,0.0,-8.02146,-8.16,-0.52,-8.712235267016588
CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@H]1c1ccc(Br)s1,C58949371_decoy,HS90A,Decoy,0.0,-7.4067,-4.62,-1.15,-5.485528756724462
CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@@H]1c1ccc(SC)cc1,C58949407_decoy,HS90A,Decoy,0.0,-7.49693,-6.93,-0.08,-8.948872910584873
Cc1ccc(C)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C(N)=O)c2C)c1,C48831034_decoy,HS90A,Decoy,0.0,-8.39106,-7.08,-2.04,-6.506782838721098
CCC[C@H](NC(N)=O)C(=O)N1CCc2[nH]c3c(Br)cccc3c2C1,C63701471_decoy,HS90A,Decoy,0.0,-8.36879,-8.36,-0.1,-8.9894159511521
O=C(NCCN[C@@H]1Nc2ccccc2S1)c1ccc2[nH]cnc2c1,C64079723_decoy,HS90A,Decoy,0.0,-9.33166,-5.32,-0.65,-4.747231005711022
CN1CC[C@@H](CNC(=O)c2cccc(NC(N)=O)c2)c2ccccc21,C58244641_decoy,HS90A,Decoy,0.0,-8.22498,-8.41,-1.77,-6.42868586089381
CC1(C)C(c2cccs2)=[N+]([O-])[C@]2(CCCCC/C2=N\NC(N)=S)N1O,C08579810_decoy,HS90A,Decoy,0.0,-5.76958,-6.54,-1.59,-5.150211993284749
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)NCc2ccsc2)c1,C65797951_decoy,HS90A,Decoy,0.0,-9.15145,-6.24,-1.27,-6.0505246122772816
NC(=O)c1cccc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1,C66344124_decoy,HS90A,Decoy,0.0,-8.03535,-9.31,-1.32,-7.045774834196224
Cc1ccc(C)n1-c1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(F)cc2)cc1,C66938996_decoy,HS90A,Decoy,0.0,-8.98691,-8.34,-1.72,-8.383688169008778
CNC(=O)c1cccc(NC(=O)NC[C@@]2(O)CCCc3ccccc32)c1,C66951888_decoy,HS90A,Decoy,0.0,-8.05266,-10.6,-1.57,-7.452313752591192
Cc1[nH]ncc1CCCNC(=O)NC[C@]1(O)CCCc2ccccc21,C66975701_decoy,HS90A,Decoy,0.0,-8.93414,-7.61,-2.39,-6.549922984862848
CNC(=O)c1cccc(CNC(=O)NC[C@]2(O)CCCc3ccccc32)c1,C66977025_decoy,HS90A,Decoy,0.0,-7.59288,-10.02,-1.12,-8.426608944102224
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1,C00806456_decoy,HS90A,Decoy,0.0,-9.16889,-9.7,-2.05,-10.350715241160968
CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(c1cccc(Cl)c1)C2=O,C01422343_decoy,HS90A,Decoy,0.0,-9.18256,-9.49,-0.31,-8.074288558932254
Cc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1,C03600622_decoy,HS90A,Decoy,0.0,-7.64989,-9.05,-3.3,-7.603687386349397
Cc1ccccc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O,C03600659_decoy,HS90A,Decoy,0.0,-7.20097,-8.04,-1.12,-7.702196941089427
CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21,C00663570_decoy,HS90A,Decoy,0.0,-7.33851,-5.67,-0.96,-4.856448936307196
O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(Cl)ccc1F,C05291610_decoy,HS90A,Decoy,0.0,-8.5494,-8.91,-1.68,-8.021853149886391
Cc1ccc(S(=O)(=O)NC(=O)Nc2nc3ccccc3s2)cc1,C00337642_decoy,HS90A,Decoy,0.0,-8.31899,-5.98,-1.12,-5.381719123805113
O=C(Nc1ccccc1F)N1CCN(C(=O)Nc2ccccc2F)CC1,C06926961_decoy,HS90A,Decoy,0.0,-8.44111,-5.89,-0.82,-5.544709484510298
Cc1nc2ccc(N[C@H](C)C(=O)N3CC(=O)Nc4ccccc43)cc2s1,C09338682_decoy,HS90A,Decoy,0.0,-8.97745,-9.6,-0.13,-10.311982116359752
CC1(C)CC(=O)C2=C(C1)Nc1nonc1N[C@H]2c1cccc(Cl)c1,C12323378_decoy,HS90A,Decoy,0.0,-7.81746,-5.69,0.54,-4.630106326832216
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1,C09264210_decoy,HS90A,Decoy,0.0,-7.31401,-5.31,-2.43,-5.355714977941672
COc1cccc([C@H]2Nc3c(ccc([N+](=O)[O-])c3C)[C@H]3C=CC[C@@H]32)c1O,C14459630_decoy,HS90A,Decoy,0.0,-7.90833,-6.12,-1.58,-5.237550135299155
COc1cccc([C@H]2Nc3c(F)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)c1O,C14459670_decoy,HS90A,Decoy,0.0,-7.05599,-6.5,-1.44,-4.307953481368699
Cc1cc(C)c2c(n1)NN1C(=O)NC(C(F)(F)F)(C(F)(F)F)N=C21,C02601124_decoy,HS90A,Decoy,0.0,-6.99473,-6.34,-0.63,-3.543537522723476
Cc1cccc(NC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1,C22503376_decoy,HS90A,Decoy,0.0,-8.72835,-6.89,-2.41,-5.626790456771068
Cc1cc(O)oc2cc(=[NH+]C(=O)CC3(C(=O)[O-])CCCCC3)ccc1-2,C24150464_decoy,HS90A,Decoy,0.0,-7.94174,-7.48,-0.66,-7.416297200120562
Cc1ccccc1NC(=O)N1CCc2nc(-c3ccc(F)cc3)[nH]c(=O)c2C1,C35417552_decoy,HS90A,Decoy,0.0,-9.1297,-5.21,-1.3,-5.0441830895949336
Cc1ccc(NC(=O)[C@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccccc2)c(C)c1,C36701514_decoy,HS90A,Decoy,0.0,-8.52456,-5.17,-1.93,-6.419630031223396
Cc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3F)n3ncnc3N[C@@H]2C)c(C)c1,C36701641_decoy,HS90A,Decoy,0.0,-8.19498,-5.49,-0.54,-5.4490573863202965
CS(=O)(=O)N1CCCc2ccc(NC(=O)Nc3ccccc3F)cc21,C38692963_decoy,HS90A,Decoy,0.0,-8.10822,-6.09,-1.48,-4.959139190704263
Fc1cccc(C2=NN3[C@@H]([C@H]4C=C(c5ccccc5)N=N4)NN[C@H]3S2)c1,C38742906_decoy,HS90A,Decoy,0.0,-7.80891,-10.51,-2.0,-7.665878532147431
CC1=C(NC(=O)C2=CC3=C(C)NN(c4ccccc4)[C@@H]3S2)[C@H](C)N=N1,C38904313_decoy,HS90A,Decoy,0.0,-9.11009,-5.25,-1.08,-5.509633893067007
CC1=C[C@@H]([C@@H]2NN[C@H](S)N2/N=C/c2cccc(Cl)c2Cl)N=N1,C38979399_decoy,HS90A,Decoy,0.0,-9.22343,-9.74,-1.0,-10.095899871396904
O=C1CCCC2=C1[C@H](c1cccc(O)c1)[C@@H]1C(=O)N(c3ccccc3)N=C1N2,C18195849_decoy,HS90A,Decoy,0.0,-7.73219,-6.27,-1.25,-5.000708237605297
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)C2=O,C36705457_decoy,HS90A,Decoy,0.0,-7.39802,-5.89,-1.25,-5.728588482234623
Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1nc(C(C)(C)C)cs1)O2,C41547705_decoy,HS90A,Decoy,0.0,-9.19852,-6.92,0.07,-6.369996383217347
O=C(Nc1cccc(Cl)c1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O,C44449995_decoy,HS90A,Decoy,0.0,-7.9953,-4.98,-0.81,-5.285520150148613
O=C(Nc1cccc(Cl)c1)N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O,C44449997_decoy,HS90A,Decoy,0.0,-9.10133,-8.25,-2.11,-9.276197368252207
O=C(NC[C@@H]1Cc2ccccc2O1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1,C46875082_decoy,HS90A,Decoy,0.0,-8.72677,-8.47,-0.86,-6.022086192794627
Cc1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)c(F)c1,C47337786_decoy,HS90A,Decoy,0.0,-8.35818,-9.71,-1.4,-8.224624935471779
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2F)n2ncnc2N1,C02918090_decoy,HS90A,Decoy,0.0,-8.01866,-4.8,-0.86,-4.185647290471646
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)n2ncnc2N1,C04723437_decoy,HS90A,Decoy,0.0,-8.95728,-10.25,-0.08,-9.778492745115347
CNc1cnc(C(C)C)nc1C(=O)/N=c1\[nH]cc(Br)s1,C50769712_decoy,HS90A,Decoy,0.0,-9.14654,-6.45,-0.18,-7.686744806355579
Cc1ccc(C(=O)/C=C2/Nc3c(C)nn(-c4ccccc4)c3NC2=O)c(C)c1,C13207742_decoy,HS90A,Decoy,0.0,-8.19744,-9.17,-2.81,-6.652892105095559
O=C(Nc1ccccn1)C1CCN(C(=O)N[C@H]2CCc3ccccc32)CC1,C56384192_decoy,HS90A,Decoy,0.0,-7.67741,-6.31,-1.07,-4.732900007050835
Cc1ccc(NC(=O)C2CCN(C(=O)N[C@@H]3CCc4ccccc43)CC2)nc1,C56384202_decoy,HS90A,Decoy,0.0,-9.94647,-7.95,-2.7,-6.999225097462185
Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H]3CCc4ccccc43)C2)nc1,C56384206_decoy,HS90A,Decoy,0.0,-8.38244,-9.66,-0.97,-8.176517411925612
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H](O)C1,C56800251_decoy,HS90A,Decoy,0.0,-9.27493,-7.04,-1.16,-6.714874187955632
CCOc1ccc(C#N)cc1NC(=O)N1CCc2[nH]c3ccccc3c2C1,C56802153_decoy,HS90A,Decoy,0.0,-8.61418,-5.45,-1.2,-5.5011417981593365
O=c1[nH]c(SCc2nc3ccccc3c(=O)[nH]2)nc2c1CCCC2,C41628565_decoy,HS90A,Decoy,0.0,-9.09864,-9.01,-1.43,-7.500958291032261
Cc1ccc(C(=O)NNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1,C17447040_decoy,HS90A,Decoy,0.0,-9.83428,-6.19,-1.1,-5.6941680921548254
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccs2)N2NC=NC2=N1,C08610103_decoy,HS90A,Decoy,0.0,-9.23873,-7.37,-2.07,-10.741729910810928
Cc1cccc2c1NC(=O)[C@@]21CC(O)=Nc2c1cnn2-c1ccccc1Cl,C20745834_decoy,HS90A,Decoy,0.0,-8.18957,-6.46,-0.87,-4.968966068096529
CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3C(C)(C)C)C(=O)N2,C32072467_decoy,HS90A,Decoy,0.0,-8.80078,-5.85,0.01,-4.362400989403155
O=C1CCCC2=C1[C@H](c1ccc(O)cc1)[C@H]1C(=O)N(c3ccccc3)N=C1N2,C12348787_decoy,HS90A,Decoy,0.0,-10.0903,-5.82,-0.85,-5.588560763379679
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)N2NC=C(C#N)C2=N1,C09484531_decoy,HS90A,Decoy,0.0,-8.58919,-5.81,-0.96,-5.907148678175625
Cc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c1C,C66057811_decoy,HS90A,Decoy,0.0,-8.71268,-5.25,-2.65,-5.2976922836671525
CC1(CNC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCC1,C66705075_decoy,HS90A,Decoy,0.0,-8.15735,-7.6,-2.21,-6.7647104957067326
C[C@H]1c2cccn2CCN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,C15416844_decoy,HS90A,Decoy,0.0,-7.28404,-5.27,-1.55,-4.711873280669812
Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)[nH]c2c1,C67158516_decoy,HS90A,Decoy,0.0,-9.65365,-8.65,-2.26,-7.719416710324314
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(O)cc2)NC(=O)N1,C00909718_decoy,HS90A,Decoy,0.0,-8.26994,-5.52,-0.27,-5.753993019479079
Nc1nc(SC2CCCC2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1,C05078407_decoy,HS90A,Decoy,0.0,-9.15072,-6.06,-1.65,-6.454719126745128
Nc1nc(SC2CCCC2)[nH]c(=O)c1NC(=O)c1ccc(Br)o1,C05082412_decoy,HS90A,Decoy,0.0,-9.73555,-8.31,-3.27,-6.497067696511254
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)CC3,C05395989_decoy,HS90A,Decoy,0.0,-9.22042,-11.12,-1.1,-10.00946040596479
Cc1ccc(C(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1,C05081711_decoy,HS90A,Decoy,0.0,-8.01996,-6.97,-3.4,-5.069695981620682
Cc1nn(C(=O)c2ccccc2O)c2c1[C@H](c1ccc(O)cc1)SC(N)=N2,C06483948_decoy,HS90A,Decoy,0.0,-9.1529,-9.49,-1.07,-8.333882433737674
Nc1cc(=O)[nH]c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1,C10861762_decoy,HS90A,Decoy,0.0,-7.87902,-5.72,-0.85,-5.866971401160182
Cc1ccc2nc(NC(=O)c3sc4[nH]c(=O)cc(C)c4c3N)sc2c1,C12083768_decoy,HS90A,Decoy,0.0,-9.92174,-8.0,-0.73,-7.672068125473846
O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)Nc1ccc2[nH]ccc2c1,C12296336_decoy,HS90A,Decoy,0.0,-7.72268,-5.75,-2.43,-6.4876337069633765
NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)CC1CCCCC1,C12376751_decoy,HS90A,Decoy,0.0,-9.96072,-8.61,-0.18,-9.929313877308845
Nc1nc(N)c2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2n1,C06184632_decoy,HS90A,Decoy,0.0,-6.30305,-10.24,-0.91,-5.929760926838517
Cn1c(-c2ccccc2)c(C(=O)CSc2nc(N)cc(N)n2)c2ccccc21,C06533206_decoy,HS90A,Decoy,0.0,-8.17771,-10.85,-1.49,-10.08873600155166
Nc1cc(N)nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1,C05278297_decoy,HS90A,Decoy,0.0,-8.45736,-8.48,-1.04,-9.908128371632674
Cc1cc2c3c(c1)[C@]1(N=C(N)NC(Nc4ccccc4)=N1)C(=O)N3C(C)(C)C[C@H]2C,C19320016_decoy,HS90A,Decoy,0.0,-8.50069,-7.72,0.26,-6.930994458290871
CCN1C(=O)[C@@]2(N=C(N)NC(Nc3cccc(C(F)(F)F)c3)=N2)c2ccccc21,C19332697_decoy,HS90A,Decoy,0.0,-8.29643,-8.65,-1.11,-9.46218797326024
Cc1ccc(/N=N/c2cc(C)c(C)cc2N[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1C,C20394483_decoy,HS90A,Decoy,0.0,-7.91949,-10.62,-1.32,-8.81908380092236
Nc1c(C(=O)Nc2cccc(C(=O)[O-])c2)sc2[nH+]c3c(cc12)CCCC3,C22079210_decoy,HS90A,Decoy,0.0,-7.72692,-9.8,-3.02,-6.361578839865429
Cc1ccc([C@@]2(O)NC(=O)N[C@H](c3ccc(O)cc3)[C@@H]2C(=O)C(F)(F)F)cc1,C27753953_decoy,HS90A,Decoy,0.0,-8.17446,-6.58,-0.79,-4.893180677105829
Cc1ccccc1NC(=O)/C(=N\NC(N)=S)[C@H](C#N)c1ccccc1,C17195633_decoy,HS90A,Decoy,0.0,-7.83377,-5.71,-1.05,-4.72712385642414
CC[C@H](C)NC(=O)Nc1c(-c2ccccc2)nn(-c2ccccc2)c1N,C35868089_decoy,HS90A,Decoy,0.0,-8.51616,-9.8,-0.89,-8.640046274991953
Cc1ccc(N2C(=O)NC(=O)[C@H]([C@H]3NCCc4c3[nH]c3ccccc43)[C@H]2O)cc1,C38555966_decoy,HS90A,Decoy,0.0,-8.62427,-6.18,-0.18,-5.503336480290798
N#CC1=C([NH3+])Nc2nc(N3CCCCC3)nc([O-])c2[C@@H]1c1ccc(Cl)cc1,C30874435_decoy,HS90A,Decoy,0.0,-10.9509,-5.39,-1.41,-5.655788018316411
C=C(C)CS[C@H]1NN[C@H]([C@@H]2C=C(c3ccc(Cl)cc3)N=N2)N1N,C38985177_decoy,HS90A,Decoy,0.0,-9.92657,-9.32,-2.74,-6.81397567950726
Cc1ccc(N2C(=O)[C@@H]([C@H]3NCCc4c3[nH]c3ccccc43)C(O)=N[C@H]2O)cc1C,C39006608_decoy,HS90A,Decoy,0.0,-7.8863,-6.92,-0.59,-5.4805863276129765
O=C(NN1SNSNSN[C@@H]2C=CC=C2S1)c1cccs1,C39073097_decoy,HS90A,Decoy,0.0,-8.29452,-4.16,-1.95,-4.965172439783886
Cc1c(O)c(C)c2s/c(=N\S(=O)(=O)c3ccc(C(N)=O)cc3)[nH]c2c1C,C39127780_decoy,HS90A,Decoy,0.0,-9.39163,-9.3,-0.65,-9.178983995067869
CC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(N)=S)CC(C)(C)C2,C39856076_decoy,HS90A,Decoy,0.0,-10.6748,-8.43,-1.59,-10.101942275422727
CC[C@](C)(NS(=O)(=O)c1cc(Cl)sc1Cl)/C(N)=N/O,C40377393_decoy,HS90A,Decoy,0.0,-8.49495,-7.2,-1.14,-8.40550525308757
Nc1c(N2CCc3ccccc32)nc[nH+]c1Nc1ccc(C(=O)[O-])cc1,C40687464_decoy,HS90A,Decoy,0.0,-8.73956,-5.83,-1.12,-4.92466925109349
Cc1c(C(=O)NCCc2cccs2)oc2c1/C(=N/NC(N)=S)CCC2,C40824697_decoy,HS90A,Decoy,0.0,-11.831,-8.79,-1.54,-9.892256312146646
CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1c(C)cc(C)cc1C,C41630385_decoy,HS90A,Decoy,0.0,-7.17544,-9.0,-1.1,-10.60833477617374
O=C(Cc1ccc2ccccc2c1)NNC(=O)NCCc1c[nH]c2ccccc12,C42956144_decoy,HS90A,Decoy,0.0,-8.33802,-7.12,-2.22,-5.952497875736402
C[C@H]1[C@@H](NC(=O)NNC(=O)c2cc(Br)c[nH]2)CCC[C@@H]1C,C43043375_decoy,HS90A,Decoy,0.0,-8.04651,-6.87,-1.75,-8.593320028663722
C[C@@H](NC(=O)Nc1ccccc1Br)c1cccc(S(N)(=O)=O)c1,C43132817_decoy,HS90A,Decoy,0.0,-8.53883,-9.22,-2.84,-8.687039340934295
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NNC(=O)c1cc(Br)c[nH]1,C45639702_decoy,HS90A,Decoy,0.0,-8.71705,-6.46,-1.59,-6.923790930845172
NC(=O)Cc1ccccc1NC(=O)NC[C@H]1CCN(c2ccccc2)C1,C45723413_decoy,HS90A,Decoy,0.0,-8.15056,-7.32,-1.16,-6.67901913856083
Cc1ccccc1NC(=O)NNC(=O)NCC(C)(C)c1ccccc1,C46874021_decoy,HS90A,Decoy,0.0,-7.50337,-7.08,-2.93,-5.602679907231215
Cc1c([C@H](C)NC(=O)Nc2ccccc2CC(N)=O)oc2ccccc12,C47518175_decoy,HS90A,Decoy,0.0,-8.29579,-7.23,-2.72,-7.72154074552624
Cc1cc(OCC(N)=O)ccc1NC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C,C56709037_decoy,HS90A,Decoy,0.0,-8.68203,-6.36,-2.12,-6.564535236662514
CC(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)cc1,C59460991_decoy,HS90A,Decoy,0.0,-9.14308,-9.4,-1.69,-7.527911564794823
C[C@H]1O[C@@H](Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@H]1O,C04587533_decoy,HS90A,Decoy,0.0,-7.37537,-9.76,-1.19,-6.586483185535689
C[C@H]1O[C@@H](Nc2ccc(N=Nc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O,C18033568_decoy,HS90A,Decoy,0.0,-8.59639,-8.47,-1.03,-6.20581443313789
CCCCCNC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3,C65128448_decoy,HS90A,Decoy,0.0,-9.48691,-8.42,-0.57,-8.153204229000158
CC(C)CCNC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3,C65134638_decoy,HS90A,Decoy,0.0,-9.08093,-9.01,-1.94,-7.840591098233716
CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@@]2(O)CCCc3ccccc32)c1,C66908654_decoy,HS90A,Decoy,0.0,-8.48976,-7.35,-3.27,-5.071199853682565
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NC[C@@]2(O)CCCc3ccccc32)cc1,C66924987_decoy,HS90A,Decoy,0.0,-8.29477,-7.06,-1.53,-6.116024971813136
CNC(=O)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1,C66984951_decoy,HS90A,Decoy,0.0,-7.87499,-11.32,-0.68,-7.01743960871053
O=C(NC[C@H](O)c1ccc2ccccc2c1)NNC(=O)c1ccc(F)cc1,C67456077_decoy,HS90A,Decoy,0.0,-9.3687,-10.38,-2.23,-8.345492859693382
C[C@@H](NC(=O)Nc1cnc2ccccc2c1)c1ccc2[nH]c(=O)[nH]c2c1,C67475376_decoy,HS90A,Decoy,0.0,-7.88507,-9.24,-0.64,-6.372576127272399
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1,C67528834_decoy,HS90A,Decoy,0.0,-8.53235,-10.52,-0.88,-9.286577180305713
NC(=O)c1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCCCCC2,C02316281_decoy,HS90A,Decoy,0.0,-10.139,-8.99,-2.6,-8.099276596051066
NC(=O)c1c(NC(=S)NC(=O)c2ccc(F)cc2)sc2c1CCCCCC2,C02316376_decoy,HS90A,Decoy,0.0,-10.3939,-8.33,-1.92,-8.228718821639934
CSc1nc(N)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(N)c12,C04380520_decoy,HS90A,Decoy,0.0,-9.86434,-6.74,-0.68,-7.687284770839007
NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3,C02925639_decoy,HS90A,Decoy,0.0,-9.62791,-8.42,-0.11,-7.803256110658961
C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccs3)c2C(N)=O)C1,C02316374_decoy,HS90A,Decoy,0.0,-11.6427,-7.87,-0.96,-8.646884861948
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(N)c1,C05249857_decoy,HS90A,Decoy,0.0,-7.84837,-6.58,-1.76,-4.479331057256144
Cc1cc(=O)[nH]c2sc(C(=O)Nc3cccc(F)c3)c(N)c12,C12083674_decoy,HS90A,Decoy,0.0,-9.21186,-8.41,-1.35,-6.947240288472886
NC(=O)N[C@H](CC(=O)NCc1ccccc1F)c1cccs1,C14349162_decoy,HS90A,Decoy,0.0,-7.28951,-8.7,-0.16,-12.18586819965467
Nc1nc(-c2ccccc2NC(=O)Nc2ccccc2)cs1,C20341309_decoy,HS90A,Decoy,0.0,-7.74139,-10.23,-1.95,-7.533045024803354
Cc1cccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)c1,C23680531_decoy,HS90A,Decoy,0.0,-9.0956,-7.2,-3.0,-9.121762743232768
Cc1cc(C)cc(NC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)c1,C23708819_decoy,HS90A,Decoy,0.0,-8.13634,-7.35,-0.9,-8.5132141866984
C[C@@H](NC(=O)CNc1ccccc1C(N)=O)c1ccc(F)cc1F,C24225421_decoy,HS90A,Decoy,0.0,-7.16303,-9.09,-2.05,-8.178009020768172
NC(=O)[C@H](NNC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1,C26221867_decoy,HS90A,Decoy,0.0,-9.43061,-8.85,-1.07,-7.782402948070047
Nc1cc(N)nc(SCc2csc(Cc3ccccc3)n2)n1,C31655800_decoy,HS90A,Decoy,0.0,-9.26241,-8.83,-1.31,-8.130244061474867
Cc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c1C,C32217273_decoy,HS90A,Decoy,0.0,-8.33062,-8.4,-1.44,-8.187019084237365
Nc1cc2c(=O)[nH]cnc2cc1Nc1ccc(Cl)cc1Cl,C35383133_decoy,HS90A,Decoy,0.0,-8.35921,-8.71,-0.03,-6.429867127413635
NC(=O)Nc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1,C36724219_decoy,HS90A,Decoy,0.0,-7.97283,-8.03,-1.04,-7.640576577152758
Cc1sc(NC(=S)NC(=O)C(C)(C)C)c(C(N)=O)c1C,C04820439_decoy,HS90A,Decoy,0.0,-8.54119,-6.6,-0.32,-7.601393507719261
CSc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NN)cc1,C13115410_decoy,HS90A,Decoy,0.0,-8.90857,-8.74,-1.22,-11.970341557907265
NC(=O)N[C@@H](CC(=O)Nc1cccc2c1CCCC2)c1ccccc1Cl,C40159400_decoy,HS90A,Decoy,0.0,-8.81979,-9.87,-2.09,-9.518303753921494
C[C@@]1(NC(=S)Nc2ccc(-c3ccc(N)cc3)cc2)CCS(=O)(=O)C1,C40167309_decoy,HS90A,Decoy,0.0,-9.43612,-8.12,-1.03,-8.00942699907583
CC[C@@H](C)Nc1ncnc(Nc2ccccc2C(F)(F)F)c1N,C40701880_decoy,HS90A,Decoy,0.0,-6.1855,-6.59,-3.25,-4.48527867097796
Cc1ccc(CNc2ncnc(N[C@@H](C)c3ccccc3)c2N)cc1,C40760344_decoy,HS90A,Decoy,0.0,-7.83845,-9.6,-1.45,-7.366725909384973
C[C@@H](Nc1ncnc(NCc2ccc(F)cc2)c1N)c1ccccc1,C40760568_decoy,HS90A,Decoy,0.0,-8.38119,-8.92,-0.43,-9.076052219175264
Nc1c(Nc2ccc(Br)cc2F)ncnc1NC1CCCC1,C40797171_decoy,HS90A,Decoy,0.0,-8.97551,-7.79,-2.27,-7.833634404344518
CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(Br)cc1,C42052223_decoy,HS90A,Decoy,0.0,-7.60458,-6.44,-1.61,-6.987515673273543
CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc2ccccc2c1,C42162083_decoy,HS90A,Decoy,0.0,-8.10307,-5.79,-1.23,-5.966966590446887
CCC[C@H](C(=O)Nc1ccccc1I)/C(N)=N/O,C44861355_decoy,HS90A,Decoy,0.0,-7.65398,-6.46,-0.55,-7.6976423792298
O=C(NNC(=S)NC1CCCC1)N[C@H]1CCSc2ccc(F)cc21,C45234299_decoy,HS90A,Decoy,0.0,-10.2271,-7.84,-2.61,-8.3533033323211
Cc1ccccc1[C@@H](C)NC(=O)Nc1ccccc1CC(N)=O,C45725603_decoy,HS90A,Decoy,0.0,-7.02686,-6.7,-1.31,-5.825227031815532
NC(=O)Nc1cccc(NC(=O)/C=C/c2c(F)cccc2F)c1,C46573960_decoy,HS90A,Decoy,0.0,-7.06916,-6.92,-1.0,-4.499918014405496
NC(=S)N/N=C1/NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1,C48552409_decoy,HS90A,Decoy,0.0,-10.329,-4.31,-0.17,-4.644658028781098
CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(Cl)s2)c(N)c1,C49127903_decoy,HS90A,Decoy,0.0,-9.78345,-6.6,-1.56,-8.508016271140985
C[C@H](NC(=O)c1cccc(NN)n1)c1cccc(Br)c1,C51095193_decoy,HS90A,Decoy,0.0,-8.05306,-8.78,-1.02,-8.35723551884114
CC[C@H](NS(=O)(=O)c1ccccc1NN)C1CCCCC1,C52343984_decoy,HS90A,Decoy,0.0,-8.46915,-6.59,-2.89,-8.161784898681791
CC[C@@H](NS(=O)(=O)c1ccccc1NN)C1CCCCC1,C52343986_decoy,HS90A,Decoy,0.0,-8.01863,-6.68,-1.71,-9.558484764800038
Cc1ccc(N)cc1S(=O)(=O)N[C@@]1(CO)CCC[C@@H](C)C1,C53113233_decoy,HS90A,Decoy,0.0,-8.14122,-7.89,-3.3,-8.397030865496692
Cc1ccc(S(=O)(=O)N[C@]2(CO)CCC[C@@H](C)C2)c(N)c1,C53113365_decoy,HS90A,Decoy,0.0,-7.26846,-7.36,-0.91,-4.873512489709504
C[C@@H](Cc1ccc(O)cc1)NC(=O)NNc1c(F)c(F)c(F)c(F)c1F,C56762084_decoy,HS90A,Decoy,0.0,-7.61135,-6.79,-2.25,-5.840530809291402
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1SCC(N)=O,C45696432_decoy,HS90A,Decoy,0.0,-8.54378,-9.12,-1.04,-8.83952624767438
NC(=O)Cc1ccccc1NC(=O)NCCc1cccc(F)c1,C45723725_decoy,HS90A,Decoy,0.0,-7.51658,-8.64,-3.58,-10.07307912379055
Cc1ccc(C)c([C@@H](C)NC(=O)Nc2ccccc2CC(N)=O)c1,C45723665_decoy,HS90A,Decoy,0.0,-6.83928,-6.48,-1.91,-5.424444831268258
CC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@H]1c1ccc(Br)cc1,C58949026_decoy,HS90A,Decoy,0.0,-7.16475,-7.61,0.02,-7.638264278277807
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)[C@@H]2c1cccc(Cl)c1,C58949922_decoy,HS90A,Decoy,0.0,-8.72463,-5.84,-0.35,-5.754215570397797
NC(=O)c1ccc(N[C@H]2C(=O)Nc3ccc(Br)cc32)cc1,C19911312_decoy,HS90A,Decoy,0.0,-7.63314,-8.99,-0.45,-8.065766130044734
CC1=C(C(=O)Nc2ccccc2C)C2(CCCCC2)[C@H](C(N)=O)C(=S)N1,C17364093_decoy,HS90A,Decoy,0.0,-8.83399,-5.98,-2.14,-6.772802621133548
[NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(I)cc2C(=O)[O-])C1,C62824447_decoy,HS90A,Decoy,0.0,-10.0301,-7.2,-0.48,-8.422714577592075
NC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)cc1,C67142748_decoy,HS90A,Decoy,0.0,-7.10047,-8.54,-0.64,-6.958960398976549
CC(C)(NC(=O)NCCC(N)=O)c1cccc(C(F)(F)F)c1,C67389021_decoy,HS90A,Decoy,0.0,-7.24401,-7.49,-0.83,-6.723217376429664
CC(C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1ccccc1C(F)(F)F,C67473608_decoy,HS90A,Decoy,0.0,-7.26998,-7.3,-1.29,-7.517879483055751
NC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1,C02884492_decoy,HS90A,Decoy,0.0,-6.97924,-10.04,-0.83,-8.316150980792035
O=C([O-])c1ccccc1/C=N\NC(=S)Nc1ccc(F)cc1,C04887616_decoy,HS90A,Decoy,0.0,-5.11533,-5.28,-3.67,-3.4046172468428137
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2C)[C@@H](C(=O)[O-])C1,C02797166_decoy,HS90A,Decoy,0.0,-7.35264,-8.89,-1.73,-7.726499481741885
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Nc1ccccc1,C05800114_decoy,HS90A,Decoy,0.0,-8.81224,-9.58,-0.65,-8.008675511734923
O=C(NC(=S)Nc1ccccc1C(=O)[O-])c1cccc(F)c1,C05927278_decoy,HS90A,Decoy,0.0,-7.14064,-5.8,-2.19,-4.614704031162379
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C06036234_decoy,HS90A,Decoy,0.0,-8.92126,-6.82,-2.73,-7.4375898157723155
C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])csc2C1,C08241280_decoy,HS90A,Decoy,0.0,-8.82729,-5.67,-2.36,-4.825931226411658
C[C@@](CC(=O)Nc1cccc2c(O)cccc12)(C(=O)[O-])c1ccccc1,C13469914_decoy,HS90A,Decoy,0.0,-6.70203,-6.43,-1.23,-4.335082137502245
O=C([O-])[C@@H]1C(c2ccccc2)=NN[C@@H]1c1ccccc1NCc1ccccc1,C16789780_decoy,HS90A,Decoy,0.0,-7.91066,-10.08,-2.52,-10.633425089438129
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)NNC(=O)c1csc(C)c1C,C17076996_decoy,HS90A,Decoy,0.0,-7.50198,-5.26,-3.6,-4.523781060571473
O=C(NCCCc1ccccc1)c1c([O-])c2c([nH]c1=O)CCCC2,C09043596_decoy,HS90A,Decoy,0.0,-7.49932,-8.24,-1.71,-6.98416409097995
O=C(NC12CC3CC(CC(C3)C1)C2)c1c([O-])c2c([nH]c1=O)CCCC2,C17123835_decoy,HS90A,Decoy,0.0,-8.33213,-6.2,-1.42,-6.23516270133338
O=C(Nc1ccc(F)cc1)Nc1c([O-])c2ccccc2oc1=O,C20853468_decoy,HS90A,Decoy,0.0,-8.08472,-7.68,-2.7,-6.510604526472267
Cc1cc(Br)cc(C)c1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1,C21504281_decoy,HS90A,Decoy,0.0,-8.3587,-7.13,-1.41,-7.811557437095771
CC1=C(C(=O)/C=C(\[O-])C(=O)Nc2ccc(C)cc2)Sc2ccccc2N1,C01614102_decoy,HS90A,Decoy,0.0,-7.73137,-9.63,-1.53,-6.243001683376719
O=C(Nc1cc(Br)ccc1C(=O)[O-])NC1CCCCC1,C37742516_decoy,HS90A,Decoy,0.0,-6.88531,-8.95,-3.43,-7.859425924390671
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1,C00373087_decoy,HS90A,Decoy,0.0,-6.96519,-6.0,-1.03,-4.154270562728392
Cc1ccc2[nH]c(C(=O)[O-])c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2c1,C04871921_decoy,HS90A,Decoy,0.0,-7.76871,-9.63,-2.87,-11.829271522223149
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl,C02578133_decoy,HS90A,Decoy,0.0,-8.51063,-7.92,-0.64,-12.99854157536602
O=C([O-])COc1ccc([C@H]2NC[C@H](c3ccccc3)c3c2[nH]c2ccccc32)cc1,C13361345_decoy,HS90A,Decoy,0.0,-8.11243,-9.79,-1.97,-8.557677172219853
Cc1ccc(NC(=O)N[C@@H](C)CC(=O)[O-])c(Br)c1,C40533683_decoy,HS90A,Decoy,0.0,-7.06061,-6.43,-1.93,-6.994708347551194
O=C(NCc1cccc(C(=O)[O-])c1)Nc1ccccc1I,C40546150_decoy,HS90A,Decoy,0.0,-7.07254,-4.82,-1.96,-4.916377404171384
Cc1ccc(Br)cc1NC(=O)Nc1ccccc1C(=O)[O-],C40591586_decoy,HS90A,Decoy,0.0,-6.29191,-5.17,-0.79,-4.117080653701788
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]21C,C44021179_decoy,HS90A,Decoy,0.0,-8.64866,-6.49,-1.77,-6.1394617291602165
O=C(N/C=C(\[O-])N1CCc2ccccc21)Nc1ccc(F)cc1F,C44153979_decoy,HS90A,Decoy,0.0,-7.5539,-5.31,-1.29,-4.387439089685641
Cc1ccc(Br)cc1NC(=O)NC(C)(C)CCC(=O)[O-],C50196857_decoy,HS90A,Decoy,0.0,-7.28082,-7.77,-1.56,-8.482797718433922
O=C(Nc1ccc(Br)cc1C(=O)[O-])NC1CCCC1,C50208697_decoy,HS90A,Decoy,0.0,-5.99027,-5.0,-1.59,-3.1439614999426366
C[C@H](NC(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CC1,C50208798_decoy,HS90A,Decoy,0.0,-6.78579,-6.12,-0.98,-4.653883464639709
O=C([O-])CCCCc1cc2[nH]c(=O)[nH]c2cc1Br,C52094725_decoy,HS90A,Decoy,0.0,-6.14126,-8.18,-0.31,-7.294640068551248
O=C([O-])c1cc(S(=O)(=O)NC2(CO)CCCCC2)c(Br)s1,C53117587_decoy,HS90A,Decoy,0.0,-8.31353,-4.84,-1.02,-6.560210999790829
C[C@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccc(Br)cc1,C54336618_decoy,HS90A,Decoy,0.0,-7.05952,-6.63,-1.33,-6.394946190307131
C/C([O-])=C1\C(=O)N(c2ccccc2)C(N)=C(C#N)[C@H]1C1CCCCC1,C55174685_decoy,HS90A,Decoy,0.0,-8.16417,-5.32,-0.56,-5.058062933541675
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1,C55650570_decoy,HS90A,Decoy,0.0,-9.30443,-9.23,-2.31,-9.181389804960446
CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(=S)[nH]c([O-])c32)cc1,C57364364_decoy,HS90A,Decoy,0.0,-11.4465,-5.31,-1.19,-6.93099641989709
O=C(Nc1cccc(F)c1)Nc1cc(Br)ccc1C(=O)[O-],C38076332_decoy,HS90A,Decoy,0.0,-7.50556,-9.09,-1.76,-7.297701836968579
O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccc(F)cc1C(F)(F)F,C59941845_decoy,HS90A,Decoy,0.0,-7.42387,-8.8,-1.49,-8.316000893672333
Cc1csc(NC(=O)Nc2cc(F)c(F)cc2C(=O)[O-])n1,C61564682_decoy,HS90A,Decoy,0.0,-7.52541,-6.96,-0.67,-6.0460931953638966
O=C(NCc1cccs1)Nc1cc(F)c(F)cc1C(=O)[O-],C61564686_decoy,HS90A,Decoy,0.0,-5.86834,-8.94,-2.73,-5.25864233335286
O=C(C[C@H]1Sc2cc(C(=O)[O-])ccc2NC1=O)Nc1ccc(F)c(F)c1,C61718848_decoy,HS90A,Decoy,0.0,-9.36416,-7.79,-0.09,-7.14831527053509
Cc1ccc(/C([O-])=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1,C62675145_decoy,HS90A,Decoy,0.0,-7.02579,-9.71,-0.38,-7.313562428462711
O=C([O-])c1cc(I)ccc1NC(=O)N1CCC[C@H]1CO,C62824776_decoy,HS90A,Decoy,0.0,-7.78457,-5.03,-0.45,-4.234125689246555
CC(C)CNC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825478_decoy,HS90A,Decoy,0.0,-7.91284,-8.6,-0.47,-7.498840823632095
O=C(Nc1c(Br)cccc1C(=O)[O-])NC(C1CC1)C1CC1,C62827278_decoy,HS90A,Decoy,0.0,-7.47905,-4.39,-2.76,-5.619818987378305
O=C(NC[C@H]1CC=CCC1)Nc1c(Br)cccc1C(=O)[O-],C62827352_decoy,HS90A,Decoy,0.0,-7.77783,-5.39,-0.83,-5.969581628022681
CCC[C@H](NC(=O)Nc1sccc1C(=O)[O-])c1cccs1,C62828654_decoy,HS90A,Decoy,0.0,-8.50678,-6.26,0.06,-7.352350969206011
Nc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc(Cl)s1,C62834991_decoy,HS90A,Decoy,0.0,-7.44876,-6.44,-1.38,-6.928495598043362
CC1=C(N[C@@H]2N[C@H](c3ccccc3)[C@H](CC(=O)[O-])S2)[C@@H](C)N=N1,C63428266_decoy,HS90A,Decoy,0.0,-7.38113,-5.52,-1.09,-5.611835015059569
CCN1C([O-])=C(C(=O)/N=c2\[nH]c3ccccc3s2)[C@H](O)c2ccccc21,C64196971_decoy,HS90A,Decoy,0.0,-10.0862,-9.26,-1.38,-7.650767166810536
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C(\[O-])c1[nH]c2c(c1C)C(=O)CCC2,C66004760_decoy,HS90A,Decoy,0.0,-8.99622,-10.61,-3.48,-8.64216180627598
NC(=O)c1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)ccc1F,C66579812_decoy,HS90A,Decoy,0.0,-8.33527,-5.72,-1.15,-4.458448352543122
O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc2ccccc2[nH]c1=O,C02542616_decoy,HS90A,Decoy,0.0,-9.23215,-5.06,-1.15,-4.836626612203925
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F,C01854197_decoy,HS90A,Decoy,0.0,-8.80834,-8.42,-1.6,-9.955034276542452
O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1)c1cccc(Cl)c1,C03641286_decoy,HS90A,Decoy,0.0,-9.10898,-9.0,-2.67,-11.556353320617884
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccc(F)c3)C(C#N)=C(N)N2C1=O,C03770423_decoy,HS90A,Decoy,0.0,-10.1804,-7.93,-0.6,-8.557930785182625
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,C08890302_decoy,HS90A,Decoy,0.0,-9.59964,-9.24,-1.07,-9.393041848683062
C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,C08890310_decoy,HS90A,Decoy,0.0,-9.95835,-8.7,-1.48,-7.869247444677272
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1ccccc1C(=O)NCc1ccco1,C09577203_decoy,HS90A,Decoy,0.0,-8.70997,-5.86,-2.93,-6.449083709953646
O=C1CCc2cc(S(=O)(=O)N[C@@H](C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3)ccc2N1,C09610603_decoy,HS90A,Decoy,0.0,-9.20594,-10.72,-2.26,-9.50445388045101
CC(C)Cn1c(N)c(C(=O)COc2ccc(Br)cc2Br)c(=O)[nH]c1=O,C09653640_decoy,HS90A,Decoy,0.0,-6.75411,-7.63,-1.72,-6.435392397688163
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)c2)cc1F,C09724818_decoy,HS90A,Decoy,0.0,-7.72738,-10.27,-2.16,-7.263067471897069
Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2,C12462559_decoy,HS90A,Decoy,0.0,-8.37783,-5.02,-0.29,-5.0018886637941655
O=C(COc1ccc(Br)cc1Br)NNC(=S)NC(=O)c1ccco1,C12502788_decoy,HS90A,Decoy,0.0,-10.5662,-7.91,-2.32,-8.614154431841113
NC(=O)c1ccccc1NC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2,C13000310_decoy,HS90A,Decoy,0.0,-9.2356,-6.15,-1.99,-6.180653217100029
CCn1cc([C@H]2[C@@H](C(=O)Nc3ccccc3C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)Nc2ccccc2C)cn1,C13960874_decoy,HS90A,Decoy,0.0,-10.5541,-5.6,-1.64,-7.031559421761204
CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)c1ccccc1,C16027395_decoy,HS90A,Decoy,0.0,-10.35,-6.09,-2.28,-7.6651856792857345
NC(=O)c1c(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)sc2c1CCCC2,C16633361_decoy,HS90A,Decoy,0.0,-9.79997,-10.2,-3.02,-9.670960511731677
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1=O,C18206629_decoy,HS90A,Decoy,0.0,-7.36265,-7.53,-3.33,-6.371403937484387
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12,C02434732_decoy,HS90A,Decoy,0.0,-9.25536,-8.97,-0.18,-8.136563158260781
CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1OCC(N)=O,C20892952_decoy,HS90A,Decoy,0.0,-10.5932,-5.47,-2.41,-6.343026416700584
NC(=O)N[C@H](CC(=O)OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc(Cl)cc1,C20977099_decoy,HS90A,Decoy,0.0,-9.30542,-8.49,-1.56,-7.516319148540797
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O,C22873365_decoy,HS90A,Decoy,0.0,-9.12952,-7.84,-3.4,-7.648085840251098
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O,C22873370_decoy,HS90A,Decoy,0.0,-8.47927,-9.49,-4.53,-6.73292387499182
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CNC(=O)c2cccc(Br)c2)C1=O,C23948694_decoy,HS90A,Decoy,0.0,-8.23708,-7.22,-1.65,-8.671021763241782
O=C(Cc1c[nH]c2ccccc12)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1,C24454860_decoy,HS90A,Decoy,0.0,-9.26071,-9.58,-3.97,-7.123544614427331
O=C(NN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1nn(-c2ccccc2F)c2c1CCC2,C33230822_decoy,HS90A,Decoy,0.0,-8.99284,-5.76,-3.37,-5.402315859322477
C[C@@H](O)[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cc(Cl)cc(Cl)c2Cl)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21,C34255997_decoy,HS90A,Decoy,0.0,-9.81119,-5.11,-0.81,-5.775474782960553
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(O)cc1,C35624651_decoy,HS90A,Decoy,0.0,-9.75103,-10.12,-3.64,-8.876345964056387
CCC[C@]12CN(C(=O)CNC(=O)[C@@H]3CC3(c3ccccc3)c3ccccc3)C[C@@H]1C(=O)NC(=O)N2,C39302602_decoy,HS90A,Decoy,0.0,-7.10697,-6.35,-2.56,-5.79163871438259
CCc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)N(Cc2cccc(Br)c2)c2ccccc21,C39323847_decoy,HS90A,Decoy,0.0,-8.47833,-7.82,-0.62,-6.6242592659793305
O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)N1CCCc2ccccc21,C39361511_decoy,HS90A,Decoy,0.0,-8.92494,-7.94,-0.29,-7.945132725017507
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1,C39556245_decoy,HS90A,Decoy,0.0,-10.7454,-6.84,-2.32,-6.586692983077019
O=C([O-])C1CCC(NC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CC23CC[NH2+]CC3)CC1,C39657933_decoy,HS90A,Decoy,0.0,-8.4197,-4.64,-2.02,-5.3797911408245
O=C([O-])C1CCC(CNC(=O)[C@H]2CN(C(=O)c3ccc4ccccc4c3)CC23CC[NH2+]CC3)CC1,C39662686_decoy,HS90A,Decoy,0.0,-8.0246,-9.17,-1.95,-7.35737797594433
O=C([O-])C1CCC(CNC(=O)[C@H]2CN(C(=O)COc3cccc(Cl)c3)CC23CC[NH2+]CC3)CC1,C39662770_decoy,HS90A,Decoy,0.0,-9.21291,-7.58,-2.3,-9.149807087577503
O=C([O-])C1CCC(CNC(=O)[C@H]2CN(C(=O)c3csc4ccccc34)CC23CC[NH2+]CC3)CC1,C39662828_decoy,HS90A,Decoy,0.0,-10.1403,-7.63,-1.08,-7.920296708514329
O=C([O-])C[C@@H](NC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC12CC[NH2+]CC2)c1ccccc1,C39682231_decoy,HS90A,Decoy,0.0,-9.27799,-8.15,-2.8,-9.215090082553488
O=C([O-])C[C@H](NC(=O)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2)c1ccccc1,C39682338_decoy,HS90A,Decoy,0.0,-9.86596,-7.32,-1.31,-9.531052890893822
O=C(C[C@H]1S/C(=N/N=C2\CCSC(=S)N2)NC1=O)Nc1ccc(Br)cc1,C39886294_decoy,HS90A,Decoy,0.0,-11.0074,-8.33,-2.57,-7.064275986039673
CN[C@H]1NN=C(SCC2=NC(=O)C3=C(C)[C@H](C(=O)Nc4ccc(C)cc4C)SC3=N2)S1,C39991733_decoy,HS90A,Decoy,0.0,-13.0306,-9.36,-2.22,-10.048619405176442
Cc1ccccc1[C@@H]1[NH2+][C@](Cc2c[nH]c3ccccc23)(C(=O)[O-])[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21,C43218698_decoy,HS90A,Decoy,0.0,-8.00837,-7.21,-1.03,-6.222684331129871
O=C1[C@H]2[C@@H](c3cccc4ccccc34)[NH2+][C@](Cc3ccc(O)cc3)(C(=O)[O-])[C@@H]2C(=O)N1C1CCCCC1,C33551532_decoy,HS90A,Decoy,0.0,-8.82415,-6.51,-1.7,-6.601421908309684
COc1cccc([C@H]2[NH2+][C@](CC3CCCCC3)(C(=O)[O-])[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]23)c1O,C33887992_decoy,HS90A,Decoy,0.0,-10.3836,-6.2,-1.18,-7.321810584780637
Cc1ccccc1[C@H]1[NH2+][C@](Cc2c[nH]c3ccccc23)(C(=O)[O-])[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]12,C33392562_decoy,HS90A,Decoy,0.0,-7.85939,-5.96,-1.02,-4.539692246898887
CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)c1ccccc1,C43746699_decoy,HS90A,Decoy,0.0,-9.85493,-8.67,-0.38,-9.361855431846688
C[C@H](O)[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21,C44172617_decoy,HS90A,Decoy,0.0,-7.15597,-9.33,-1.02,-5.568139953105003
O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1,C45573804_decoy,HS90A,Decoy,0.0,-7.92464,-10.52,-3.84,-11.815016330821884
Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21,C16012084_decoy,HS90A,Decoy,0.0,-10.9844,-5.15,-1.63,-6.048228167345436
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N([C@@H](Cc1ccccc1)C(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O,C54646123_decoy,HS90A,Decoy,0.0,-7.59951,-7.77,-2.93,-7.651849996986105
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2=O)cc1,C15930144_decoy,HS90A,Decoy,0.0,-10.1614,-10.49,-3.93,-8.193870302965514
CC[C@]1(c2ccc(NC(=O)CCc3c(C)nc(-c4cccnc4)[nH]c3=O)cc2)CCC(=O)NC1=O,C60354068_decoy,HS90A,Decoy,0.0,-9.4682,-8.88,-2.07,-7.474660511080773
CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2F)[NH+]2CCc3ccccc3C2)cc1,C10188469_decoy,HS90A,Decoy,0.0,-9.45736,-7.81,-2.59,-7.874517727167341
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)[NH+]3CCCC3)ccc21,C08964117_decoy,HS90A,Decoy,0.0,-9.63585,-9.89,-3.04,-7.290976794957499
C[C@H](CNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC12CC[NH2+]CC2)Oc1ccc(F)cc1,C39595825_decoy,HS90A,Decoy,0.0,-8.75358,-6.92,-2.41,-6.529654420252445
COc1ccc(C(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C3(CC[NH2+]CC3)C2)cc1C(F)(F)F,C39596912_decoy,HS90A,Decoy,0.0,-8.35962,-7.51,-3.3,-8.779225273891525
CC(=O)Oc1cccc(C(=O)N2C[C@H](C(=O)N[C@H]3C[C@@H]3c3ccccc3)C3(CC[NH2+]CC3)C2)c1C,C39602335_decoy,HS90A,Decoy,0.0,-9.20247,-9.13,-1.16,-8.055102926137657
CCn1nc(C)c(Br)c1C(=O)N1C[C@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2)C2(CC[NH2+]CC2)C1,C39602435_decoy,HS90A,Decoy,0.0,-10.1343,-7.39,-1.69,-8.670194915940643
CCn1nc(C)c(Br)c1C(=O)N1C[C@@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2)C2(CC[NH2+]CC2)C1,C39602438_decoy,HS90A,Decoy,0.0,-10.1747,-6.15,-1.26,-6.746337639484249
O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,C39602513_decoy,HS90A,Decoy,0.0,-8.72974,-7.08,-1.83,-6.922863618260314
Cc1ccc(CNC(=O)[C@H]2CN(C(=O)c3cc(C)nn3C(C)(C)C)CC23CC[NH2+]CC3)c(C)c1,C39607174_decoy,HS90A,Decoy,0.0,-10.4086,-6.03,-3.25,-6.383999776279068
O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)[C@H]1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,C39609053_decoy,HS90A,Decoy,0.0,-11.535,-10.17,-2.39,-12.090234546489487
CCn1nc(C)c(Br)c1C(=O)N1C[C@@H](C(=O)NC2CCCC2)C2(CC[NH2+]CC2)C1,C39632553_decoy,HS90A,Decoy,0.0,-9.08856,-7.58,-0.69,-9.218407591711602
Cc1ccc(CNC(=O)[C@H]2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CC23CC[NH2+]CC3)cc1,C39634272_decoy,HS90A,Decoy,0.0,-8.93857,-8.37,-2.1,-7.351122470258442
O=C(NC1CCC1)[C@@H]1CN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC12CC[NH2+]CC2,C39635348_decoy,HS90A,Decoy,0.0,-10.0683,-9.93,-1.06,-11.845013520095431
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC12CC[NH2+]CC2,C39637148_decoy,HS90A,Decoy,0.0,-8.77018,-6.21,-1.89,-6.118245404247385
Cc1cc(C(=O)N2C[C@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C3(CC[NH2+]CC3)C2)n(C(C)(C)C)n1,C39637421_decoy,HS90A,Decoy,0.0,-8.47251,-5.54,-0.58,-5.973462464329831
CC[C@H](COC)NC(=O)[C@@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC12CC[NH2+]CC2,C39637960_decoy,HS90A,Decoy,0.0,-8.78149,-8.51,-3.48,-9.14006876135786
Cc1ccc([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3ccc(Oc4ccccc4)nc3)CC23CC[NH2+]CC3)cc1,C39639393_decoy,HS90A,Decoy,0.0,-10.8695,-7.46,-3.19,-7.25990451790795
Cn1cccc1C(=O)N1C[C@H](C(=O)NCCc2ccc(Br)cc2)C2(CC[NH2+]CC2)C1,C39652906_decoy,HS90A,Decoy,0.0,-9.26062,-6.59,-1.48,-7.591171571175399
Cn1cccc1C(=O)N1C[C@@H](C(=O)NCCc2ccc(Br)cc2)C2(CC[NH2+]CC2)C1,C39652907_decoy,HS90A,Decoy,0.0,-10.8622,-8.2,-2.08,-9.457032734381835
COc1ccc(C(=O)N2C[C@@H](C(=O)NCCc3cccs3)C3(CC[NH2+]CC3)C2)cc1C(F)(F)F,C39657518_decoy,HS90A,Decoy,0.0,-9.6897,-10.41,-3.85,-10.639920944362196
CC1(C)OC[C@@H](CNC(=O)[C@H]2CN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC23CC[NH2+]CC3)O1,C39659178_decoy,HS90A,Decoy,0.0,-9.03681,-8.08,-1.76,-7.589222907555138
CCn1nc(C)c(Br)c1C(=O)N1C[C@H](C(=O)NC2CCCCCCC2)C2(CC[NH2+]CC2)C1,C39659889_decoy,HS90A,Decoy,0.0,-9.41455,-6.73,-2.31,-7.29454340767378
O=C1SCC[C@@H]1NC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(Cl)c2F)CC12CC[NH2+]CC2,C39661447_decoy,HS90A,Decoy,0.0,-9.77242,-5.61,-0.68,-6.67049642663597
N#C[C@@H](NC(=O)[C@@H]1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2)c1ccccc1,C39662342_decoy,HS90A,Decoy,0.0,-10.1509,-5.54,-2.1,-6.646693883865979
N#C[C@H](NC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2)c1ccccc1,C39662569_decoy,HS90A,Decoy,0.0,-10.4636,-6.69,-4.08,-6.614937541085705
CC(=O)Oc1cccc(C(=O)N2C[C@@H](C(=O)NCc3cccc(C)c3C)C3(CC[NH2+]CC3)C2)c1C,C39667578_decoy,HS90A,Decoy,0.0,-9.55014,-7.03,-2.32,-8.777773058938601
Cc1cccc(CNC(=O)[C@H]2CN(C(=O)c3cccnc3Oc3ccccc3)CC23CC[NH2+]CC3)c1C,C39667607_decoy,HS90A,Decoy,0.0,-9.71007,-9.49,-1.98,-9.002911639013128
CCn1nc(C)c(Br)c1C(=O)N1C[C@@H](C(=O)NCc2cccc(C)c2C)C2(CC[NH2+]CC2)C1,C39667621_decoy,HS90A,Decoy,0.0,-9.08286,-5.75,-0.71,-6.6369406616199695
O=C(NC[C@@H]1OCCc2ccccc21)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,C39668901_decoy,HS90A,Decoy,0.0,-9.71316,-8.87,-1.88,-8.743443597713247
O=C(NC[C@@H]1OCCc2ccccc21)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CC[NH2+]CC2,C39668943_decoy,HS90A,Decoy,0.0,-7.93627,-5.11,-0.84,-5.161380990663432
Cc1ccc(F)c(C(=O)N2C[C@H](C(=O)NC[C@@H]3OCCc4ccccc43)C3(CC[NH2+]CC3)C2)c1F,C39669046_decoy,HS90A,Decoy,0.0,-9.19634,-8.43,-0.97,-8.086770091906152
O=C(NC[C@@H]1OCCc2ccccc21)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2,C39669187_decoy,HS90A,Decoy,0.0,-10.9667,-10.01,-2.34,-9.066129364975888
CC1=C([C@H](C)NC(=O)[C@@H]2CN(C(=O)c3c(F)ccc(Cl)c3F)CC23CC[NH2+]CC3)[C@@H](C)N=N1,C39674586_decoy,HS90A,Decoy,0.0,-9.8717,-6.67,-2.35,-7.502823818698959
Cc1cccc(C(=O)N2C[C@@H](C(=O)NCc3cnn(Cc4ccccc4)c3)C3(CC[NH2+]CC3)C2)c1,C39675973_decoy,HS90A,Decoy,0.0,-9.7842,-9.13,-2.95,-9.938901723365756
O=C(NCc1ccc(-c2ccccn2)s1)[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC12CC[NH2+]CC2,C39677722_decoy,HS90A,Decoy,0.0,-10.9927,-9.04,-0.98,-8.853746933897009
O=C(NCc1cccc(OC(F)F)c1)[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,C39678459_decoy,HS90A,Decoy,0.0,-10.6694,-8.69,-1.53,-8.607529441481148
O=C(NCCOc1ccccc1F)[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CC12CC[NH2+]CC2,C39685110_decoy,HS90A,Decoy,0.0,-10.4106,-8.29,-1.46,-8.971648090338038
Cc1ccc(C(=O)N2C[C@H](C(=O)NCCOc3ccccc3F)C3(CC[NH2+]CC3)C2)c(F)c1F,C39685121_decoy,HS90A,Decoy,0.0,-8.69713,-8.81,-1.4,-11.747581832715928
CC(C)C(=O)N1CCC(NC(=O)[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)CC23CC[NH2+]CC3)CC1,C39685974_decoy,HS90A,Decoy,0.0,-9.58255,-10.02,-1.36,-9.889580777799
CC(C)C(=O)N1CCC(NC(=O)[C@H]2CN(C(=O)c3cccc(Cl)c3F)CC23CC[NH2+]CC3)CC1,C39686037_decoy,HS90A,Decoy,0.0,-11.041,-6.08,-2.58,-6.884620690974257
Cc1ccsc1C(=O)N1C[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)C2(CC[NH2+]CC2)C1,C39687308_decoy,HS90A,Decoy,0.0,-8.7287,-10.4,-1.9,-9.170704885717717
O=C(NCCOc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C39688167_decoy,HS90A,Decoy,0.0,-8.79778,-6.37,-1.77,-6.431608371949332
O=C(NCc1ccc(-n2cccc2)cc1)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,C39690020_decoy,HS90A,Decoy,0.0,-10.8527,-5.28,-1.34,-6.002170402565256
CCSc1ncccc1C(=O)N1C[C@@H](C(=O)NCCc2ccccc2C)C2(CC[NH2+]CC2)C1,C39691187_decoy,HS90A,Decoy,0.0,-10.204,-8.69,-2.19,-9.678018941392695
CC[C@H](NC(=O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2)c1ccccc1,C39695347_decoy,HS90A,Decoy,0.0,-10.5299,-8.17,-1.73,-8.069466110317618
O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)=[NH+]CC=2Cl)c1ccc(-n2ccccc2=O)cc1,C52635084_decoy,HS90A,Decoy,0.0,-10.564,-5.72,-1.2,-6.271438302379187
Cc1c/c(=N\C(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c2ccccc2[nH]1,C56939980_decoy,HS90A,Decoy,0.0,-9.05211,-9.11,-2.78,-8.289915073526563
O=C1[C@@H]2[C@H](CC3=c4ccccc4=[NH+]C3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccccc1,C63384544_decoy,HS90A,Decoy,0.0,-7.62474,-6.87,-2.15,-5.828275162123311
O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NCCC1=c2ccccc2=[NH+]C1,C63445945_decoy,HS90A,Decoy,0.0,-9.44194,-9.7,-0.53,-8.336335315660609
CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2CC2=c3ccccc3=[NH+]C2)C(=O)Nc2ccc(F)cc21,C63478675_decoy,HS90A,Decoy,0.0,-9.7409,-10.65,-1.26,-12.687370527471398
Cc1cc(C)n(NC(=O)c2cc(Br)ccc2OC(F)F)c(=O)c1C(N)=O,C02789911_decoy,HS90A,Decoy,0.0,-8.1105,-8.47,-1.6,-10.180277734142384
O=C(Cc1ccccc1)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1,C03623111_decoy,HS90A,Decoy,0.0,-7.13008,-5.96,-2.26,-5.495389912093519
NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,C08896653_decoy,HS90A,Decoy,0.0,-9.2075,-5.67,-4.12,-6.470389427242727
COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)c1OC,C09090201_decoy,HS90A,Decoy,0.0,-8.34636,-5.09,-0.97,-6.0175472590374905
CC1CCN(C(=O)Cn2cc(SCC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc32)CC1,C09118525_decoy,HS90A,Decoy,0.0,-10.509,-10.07,-1.59,-9.301447205336045
NC(=O)c1c(NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)sc2c1CCC2,C09587837_decoy,HS90A,Decoy,0.0,-9.02244,-10.73,-1.83,-10.323946186725651
O=C1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NCc3cccs3)c3ccccc3)ccc2N1,C09610615_decoy,HS90A,Decoy,0.0,-10.6111,-6.06,-2.01,-6.9358934126881175
O=C(NCc1ccccn1)C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12,C09705698_decoy,HS90A,Decoy,0.0,-8.93598,-10.39,-3.57,-9.274619007107692
O=C1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)c2c(nc(N3CCCCC3)[nH]c2=O)N1,C12390218_decoy,HS90A,Decoy,0.0,-7.66908,-9.38,-0.89,-7.965618507803858
O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2c(nc(N3CCCCC3)[nH]c2=O)N1,C12409937_decoy,HS90A,Decoy,0.0,-8.88682,-8.13,-0.96,-6.581674073788426
CC(=O)N/C(=C/c1ccccc1)C(=O)NNS(=O)(=O)c1cccc(Br)c1,C12759134_decoy,HS90A,Decoy,0.0,-8.30336,-9.01,-1.17,-9.03220886223202
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3sc4c(c3C(N)=O)CCC4)C2)cc1,C14021027_decoy,HS90A,Decoy,0.0,-9.63688,-8.81,-4.43,-9.962580433157813
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1O,C14459375_decoy,HS90A,Decoy,0.0,-11.2272,-9.6,-2.18,-10.81796627446418
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)CC13CC4CC(CC(C4)C1)C3)C2=O,C15902229_decoy,HS90A,Decoy,0.0,-8.89197,-6.62,-2.0,-6.585499982041008
NC(=O)c1c(NC(=O)COC(=O)C2=Cc3cc(Cl)ccc3OC2)sc2c1CCC2,C16575819_decoy,HS90A,Decoy,0.0,-9.66736,-9.06,-2.34,-8.49444305884731
O=C(CSc1n[nH]c(N/N=C/c2c[nH]c3ccccc23)n1)N1CCc2ccccc2C1,C20833037_decoy,HS90A,Decoy,0.0,-9.86276,-9.31,-1.03,-9.82383067204118
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,C22060371_decoy,HS90A,Decoy,0.0,-10.2976,-5.84,-1.07,-6.724989417834888
CSCC[C@@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21,C25077313_decoy,HS90A,Decoy,0.0,-10.0517,-8.8,-1.97,-9.53173438277368
Cc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)Nc2ccccc2C)[C@H]1c1ccccn1,C28249894_decoy,HS90A,Decoy,0.0,-9.43998,-6.19,-2.84,-6.822573086263514
Cc1nc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)sc1SCC(N)=O,C31798994_decoy,HS90A,Decoy,0.0,-9.57172,-5.25,-1.13,-5.746498117169072
C[C@@]1(O)CC(=O)[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccn2)[C@@H]1C(=O)Nc1ccccc1,C35074135_decoy,HS90A,Decoy,0.0,-8.06648,-8.27,-0.17,-7.779897942097151
Cc1sc(NC(=O)CN(Cc2ccc(F)cc2)C(=O)c2ccco2)c(C(N)=O)c1C,C35312693_decoy,HS90A,Decoy,0.0,-8.62166,-8.5,-1.4,-9.24376946380734
Cc1cc(C)c(NC(=O)CNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)c1,C08623801_decoy,HS90A,Decoy,0.0,-8.25754,-8.08,-1.14,-8.716667812762026
CC1=NN([C@@H]2Nc3ccccc3S2)C(=O)/C1=C(/C)NCCS/C=C1\NC=N[C@@H]1C,C39272870_decoy,HS90A,Decoy,0.0,-11.2202,-9.1,-0.92,-11.321306171195111
CC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N[C@H]2CCCCNC2=O)c1,C14988371_decoy,HS90A,Decoy,0.0,-8.33036,-5.7,-1.78,-6.007000386292615
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)c1cc3c(s1)CCCC3)C2=O,C09584750_decoy,HS90A,Decoy,0.0,-9.61195,-10.48,-1.51,-8.454070732019302
Cc1ccccc1CC(=O)N1C[C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)C2(CC[NH2+]CC2)C1,C39658255_decoy,HS90A,Decoy,0.0,-9.03636,-8.96,-3.25,-8.40093945130143
CC1(C(=O)N2C[C@H](C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)C3(CC[NH2+]CC3)C2)CCCCC1,C39682413_decoy,HS90A,Decoy,0.0,-9.38954,-6.96,-2.85,-6.733119338690958
O=C([O-])CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC12CC[NH2+]CC2,C39682651_decoy,HS90A,Decoy,0.0,-8.9169,-6.34,-0.06,-6.998866068333231
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)(C3)C2,C12745501_decoy,HS90A,Decoy,0.0,-8.4913,-7.23,-4.57,-7.026854096962375
O=C(C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccccc32)NC1=O)Nc1cccc(C(F)(F)F)c1,C39843483_decoy,HS90A,Decoy,0.0,-8.22471,-6.21,-3.22,-4.905829075449301
Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(C(F)(F)F)c4)[NH2+][C@](C(=O)[O-])([C@@H](C)O)[C@@H]3C2=O)cc1Cl,C33933481_decoy,HS90A,Decoy,0.0,-8.80211,-10.19,-0.55,-21.78934292972141
CCC[C@@H]1O[C@H]2C[C@@H]3[C@H]4C[C@H](O)C5=CC(=O)C=C[C@@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CO)O1,C44020545_decoy,HS90A,Decoy,0.0,-9.06582,-4.78,-2.08,-5.9032197913288105
CCc1cccc(-c2nc(CNc3ccc(C#N)cc3)[nH]c2C2=C[C@@H]3NCC=N[C@H]3C=C2)n1,C45253884_decoy,HS90A,Decoy,0.0,-11.8986,-11.32,-3.72,-10.406626705895889
O=C(NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)NC2CC2)o1,C46672532_decoy,HS90A,Decoy,0.0,-9.24457,-9.22,-0.14,-7.571630388712433
CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1,C48262952_decoy,HS90A,Decoy,0.0,-9.23473,-9.75,-4.17,-7.516872130231398
Cc1cc(C)c2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2,C35363877_decoy,HS90A,Decoy,0.0,-8.84085,-6.97,-1.03,-6.512143964577094
CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21,C20566956_decoy,HS90A,Decoy,0.0,-9.7097,-6.74,-1.52,-6.512168819738339
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)Nc1sc3c(c1C(N)=O)CCCC3)C2=O,C54647525_decoy,HS90A,Decoy,0.0,-9.53052,-8.79,-1.45,-8.837034808091454
[H]/N=C1/NC(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)S1,C15056709_decoy,HS90A,Decoy,0.0,-8.22959,-8.7,-2.4,-7.50958831215308
Cc1cccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1,C01326522_decoy,HS90A,Decoy,0.0,-7.50492,-8.25,-1.75,-6.237739005737422
CCC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21,C59086962_decoy,HS90A,Decoy,0.0,-9.27364,-9.42,-0.65,-9.943367356149595
CC1(C)C[C@H](O)C[C@@](C)(CN/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1,C06232514_decoy,HS90A,Decoy,0.0,-10.1599,-5.77,-1.01,-6.071274273793445
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1,C60268161_decoy,HS90A,Decoy,0.0,-9.98695,-7.03,-1.45,-6.776641140520384
O=C(Nc1cccc(C(=O)Nc2nc3ccccc3s2)c1)N[C@@H]1CCS(=O)(=O)C1,C31813413_decoy,HS90A,Decoy,0.0,-10.0231,-5.32,-1.31,-6.638969086352854
O=C(C[C@H]1S/C(=N\N=C2\CSC(=O)N2)NC1=O)Nc1cccc(C(F)(F)F)c1,C13686080_decoy,HS90A,Decoy,0.0,-7.70454,-9.47,-0.4,-6.516646261758376
COc1ccc2c(c1)=C1CCN[C@H](c3c([O-])[nH]c(=O)n(-c4ccc(C)c(C)c4)c3=O)[C@H]1[NH+]=2,C63373000_decoy,HS90A,Decoy,0.0,-7.54361,-8.68,-0.35,-5.225247688882939
COc1ccc2c(c1)=C1CCN[C@H](c3c([O-])[nH]c(=O)n(-c4ccc(C)cc4C)c3=O)[C@H]1[NH+]=2,C63373225_decoy,HS90A,Decoy,0.0,-7.22342,-8.34,-0.69,-6.296533076610156
CC1=C2C(=O)N=C([C@@H](C)S[C@@H]3NN=C(c4cccc(Cl)c4)N3N)N=C2S[C@H]1C,C38653213_decoy,HS90A,Decoy,0.0,-11.693,-8.89,-3.94,-7.484851341776184
NC(=O)[C@@H]1C2=C(CCC2)S[C@@H]1NC(=O)CSC1=NC(=O)C2=C3CCCC[C@H]3SC2=N1,C38741245_decoy,HS90A,Decoy,0.0,-9.92425,-7.32,-0.31,-7.304025500410383
COCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O,C08791347_decoy,HS90A,Decoy,0.0,-9.32032,-6.08,-1.29,-6.455105581748447
O=C1[C@H]2[C@@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1C[C@H]1CCCO1,C08876482_decoy,HS90A,Decoy,0.0,-9.10236,-7.6,-1.5,-8.803655389936889
O=C1[C@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1C[C@H]1CCCO1,C08876483_decoy,HS90A,Decoy,0.0,-9.55479,-8.06,-1.41,-7.681087812723577
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c1,C08894153_decoy,HS90A,Decoy,0.0,-9.8183,-9.47,-3.37,-8.277352007610544
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)c1,C09135472_decoy,HS90A,Decoy,0.0,-9.49998,-9.83,-4.08,-11.022505699500671
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1,C09135805_decoy,HS90A,Decoy,0.0,-11.2978,-9.24,-2.88,-8.894977632709578
CCC[NH+]1CCc2c(sc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1,C10774946_decoy,HS90A,Decoy,0.0,-10.2432,-6.62,-1.8,-7.0762134981370775
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)c1,C08964209_decoy,HS90A,Decoy,0.0,-10.8127,-9.39,-2.88,-9.099571020406184
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+]2CCc3ccccc3C2)c1,C11898520_decoy,HS90A,Decoy,0.0,-8.9278,-9.91,-3.68,-8.892583977724557
COCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O,C12886725_decoy,HS90A,Decoy,0.0,-8.71598,-5.77,-2.27,-5.924939945022638
CSCC[C@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)[NH2+]CCc1[nH]cnc12,C09409732_decoy,HS90A,Decoy,0.0,-9.78192,-7.6,-1.31,-9.152717938498732
CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC[C@H](C(=O)Nc3ccccc3)C1)C2=O,C14703357_decoy,HS90A,Decoy,0.0,-9.18342,-7.91,-2.02,-6.9625998436495085
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1,C23858119_decoy,HS90A,Decoy,0.0,-8.62356,-9.72,-4.87,-8.336944303526254
Nn1c(SCC(=O)N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)nnc1C1CCCCC1,C25524945_decoy,HS90A,Decoy,0.0,-9.40752,-9.99,-0.9,-10.61172527827364
Nn1c(SCC(=O)N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)nnc1-c1cccs1,C25528100_decoy,HS90A,Decoy,0.0,-11.4537,-7.3,-3.27,-6.943745098681054
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NCCC1=c2cc(O)ccc2=[NH+]C1,C38688776_decoy,HS90A,Decoy,0.0,-8.27749,-8.53,-0.62,-6.348802215941548
O=C(NCCCO)[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,C39605530_decoy,HS90A,Decoy,0.0,-9.48996,-5.87,-1.69,-6.692149625927724
O=C(NCCNc1ccccc1)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2,C39655571_decoy,HS90A,Decoy,0.0,-9.76795,-7.91,-1.7,-7.54671803691136
O=C(NCCNc1ccccc1)[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)CC12CC[NH2+]CC2,C39655574_decoy,HS90A,Decoy,0.0,-10.3265,-9.16,-2.43,-9.749342264168874
CC1=NN(C(C)(C)C)[C@H](C(=O)N2C[C@H](C(=O)NCc3cc4ccccc4[nH]3)C3(CC[NH2+]CC3)C2)C1,C39671534_decoy,HS90A,Decoy,0.0,-9.36221,-10.41,-2.09,-12.533847785258978
CCOc1ccc(C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4c(C)cccc34)C3(CC[NH2+]CC3)C2)cc1,C39684095_decoy,HS90A,Decoy,0.0,-9.35349,-10.29,-0.96,-8.702606876683651
Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1F,C39685801_decoy,HS90A,Decoy,0.0,-9.57743,-8.46,-1.06,-8.939479222172677
Cc1ccsc1C(=O)N1C[C@@H](C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,C39685899_decoy,HS90A,Decoy,0.0,-10.2292,-7.84,-1.55,-14.166554888717586
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,C39693457_decoy,HS90A,Decoy,0.0,-9.99615,-5.97,-3.7,-7.7474340718672705
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2,C39693539_decoy,HS90A,Decoy,0.0,-10.264,-8.26,-1.13,-11.532996800471386
Cc1ccc(C(=O)N2C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3(CC[NH2+]CC3)C2)c(C)c1,C39693545_decoy,HS90A,Decoy,0.0,-9.47827,-8.94,-3.97,-9.15612569140266
CCOc1ccccc1C(=O)N1C[C@H](C(=O)N[C@@H](C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,C39695772_decoy,HS90A,Decoy,0.0,-9.46045,-10.28,-0.39,-11.053436758177464
CCOc1cccc(C(=O)N2C[C@H](C(=O)N[C@@H](C)c3nc4ccc(C)cc4[nH]3)C3(CC[NH2+]CC3)C2)c1,C39695848_decoy,HS90A,Decoy,0.0,-9.70605,-10.02,-1.54,-11.808915984806346
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC12CC[NH2+]CC2,C44713679_decoy,HS90A,Decoy,0.0,-8.29074,-7.67,-2.67,-7.699183014135734
Cc1n[nH]c(C)c1[C@@H](C)NC(=O)[C@@H]1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,C44713685_decoy,HS90A,Decoy,0.0,-9.41963,-8.33,-1.98,-8.433207736426356
Cc1ccc(C(=O)N2C[C@@H](C(=O)N[C@H](C)c3c(C)n[nH]c3C)C3(CC[NH2+]CC3)C2)c(F)c1F,C44713921_decoy,HS90A,Decoy,0.0,-9.09023,-5.28,-1.14,-6.105444578286241
CC[C@@H](C)C(=O)N1C[C@@H](C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C2(CC[NH2+]CC2)C1,C44714473_decoy,HS90A,Decoy,0.0,-8.70342,-7.62,-3.42,-6.725469388759397
Cc1ccc2nc([C@H](C)NC(=O)[C@H]3CN(C(=O)c4cccc(N(C)C)c4)CC34CC[NH2+]CC4)[nH]c2c1,C44737344_decoy,HS90A,Decoy,0.0,-8.50043,-6.6,-2.07,-6.780983622918954
Cc1ccc2nc([C@H](C)NC(=O)[C@@H]3CN(C(=O)c4ccccc4C)CC34CC[NH2+]CC4)[nH]c2c1,C39695691_decoy,HS90A,Decoy,0.0,-9.11722,-10.15,-1.16,-8.101402327672885
Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3CN(C(=O)c4c(F)cccc4F)CC34CC[NH2+]CC4)[nH]c2c1,C39695710_decoy,HS90A,Decoy,0.0,-8.61345,-10.66,-2.08,-8.47012776271308
Cc1ccc2nc([C@@H](C)NC(=O)[C@H]3CN(C(=O)c4ccc(Cl)cc4)CC34CC[NH2+]CC4)[nH]c2c1,C44737164_decoy,HS90A,Decoy,0.0,-11.259,-8.71,-2.67,-7.808491312655384
Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3CN(C(=O)[C@@H](C)Oc4ccccc4)CC34CC[NH2+]CC4)[nH]c2c1,C39695760_decoy,HS90A,Decoy,0.0,-10.2262,-11.39,-1.45,-11.437069042102893
Cc1ccc2nc([C@H](C)NC(=O)[C@H]3CN(C(=O)[C@@H](C)Oc4ccccc4)CC34CC[NH2+]CC4)[nH]c2c1,C44737244_decoy,HS90A,Decoy,0.0,-10.9624,-7.94,-1.55,-8.49241725632897
Cc1ccc2nc([C@H](C)NC(=O)[C@@H]3CN(C(=O)c4ccc(C)c(F)c4F)CC34CC[NH2+]CC4)[nH]c2c1,C39695787_decoy,HS90A,Decoy,0.0,-10.0691,-10.36,-1.84,-9.760919867979965
Cc1ccc2nc([C@@H](C)NC(=O)[C@H]3CN(C(=O)c4cccc(N(C)C)c4)CC34CC[NH2+]CC4)[nH]c2c1,C44737341_decoy,HS90A,Decoy,0.0,-10.6967,-9.45,-3.28,-10.5812124414124
COC(=O)c1c(NC(=O)CNc2ccccc2[NH+]2CCC(O)CC2)sc2c1CCC2,C59807103_decoy,HS90A,Decoy,0.0,-9.82801,-7.32,-2.79,-9.720425304424571
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1,C60341423_decoy,HS90A,Decoy,0.0,-10.1904,-10.77,-2.26,-11.229292102134533
C[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC2(CC1)NCCc1[nH]c[nH+]c12,C20623780_decoy,HS90A,Decoy,0.0,-10.139,-6.09,-3.02,-7.960790928674851
NC(=O)C1CCN(C(=O)CCNC(=O)N2CCC3=c4cc(Cl)ccc4=[NH+][C@H]3C2)CC1,C63303048_decoy,HS90A,Decoy,0.0,-8.99015,-7.67,-1.14,-7.733498088177406
COc1ccc2c(c1)=C(CCN1C[C@H](C(=O)N[C@@H]3NN[C@H](C(C)(C)C)S3)CC1=O)C[NH+]=2,C63557751_decoy,HS90A,Decoy,0.0,-11.1684,-9.26,-2.53,-9.689470568723578
CN1C(=O)c2sccc2N2[C@H](CCCC(=O)NCCC3=c4ccccc4=[NH+]C3)NN[C@H]12,C63674160_decoy,HS90A,Decoy,0.0,-9.69999,-10.48,-1.18,-8.242344541347316
COc1ccc2c(c1)=C(CCN1C[C@H](C(=O)N[C@H]3NN[C@@H](C(C)C)S3)CC1=O)C[NH+]=2,C63941319_decoy,HS90A,Decoy,0.0,-11.2548,-9.16,-1.93,-9.545750855145856
O=C1[C@H]([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)C(O)=N[C@H](O)N1c1cccc(C(F)(F)F)c1,C64098013_decoy,HS90A,Decoy,0.0,-7.47451,-7.1,-1.57,-4.640058649705983
O=C(CS[C@H]1NN[C@@H](N2CCN(C(=O)CC3=c4ccccc4=[NH+]C3)CC2)S1)Nc1ccccc1,C64409710_decoy,HS90A,Decoy,0.0,-11.6177,-10.94,-2.06,-9.074307988340816
CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCCC2)cc1,C65074698_decoy,HS90A,Decoy,0.0,-9.91419,-7.46,-4.73,-7.649999210572825
O=C(Cn1nnc(-c2ccccc2C(F)(F)F)n1)NNS(=O)(=O)c1cccc(C(F)(F)F)c1,C01044895_decoy,HS90A,Decoy,0.0,-9.63993,-10.73,-1.65,-8.150061689566451
CCCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2sc(C)c(C)c2c1=O,C08646208_decoy,HS90A,Decoy,0.0,-9.75333,-8.59,-2.69,-8.149121964466604
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1,C08897702_decoy,HS90A,Decoy,0.0,-8.01201,-8.45,-2.99,-6.72751422433169
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)/C=C/c4ccco4)c2)N3)C1,C08921641_decoy,HS90A,Decoy,0.0,-11.9877,-7.25,-2.02,-7.650313204693147
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc3ccccc3)cc1)C2=O,C08965559_decoy,HS90A,Decoy,0.0,-8.17837,-8.11,-3.49,-7.500697331652181
Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(C)c1,C09055297_decoy,HS90A,Decoy,0.0,-9.67792,-9.38,-2.22,-7.812497989139387
CC(C)(C)C(=O)NCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)s1,C09223116_decoy,HS90A,Decoy,0.0,-8.96136,-9.57,-3.59,-8.334505800105246
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,C09229603_decoy,HS90A,Decoy,0.0,-10.839,-9.54,-4.45,-10.476059520388286
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nnc(C4CCCCC4)s3)n2C)c(C)c1,C09303461_decoy,HS90A,Decoy,0.0,-11.8159,-7.42,-4.12,-7.935723838456204
O=C(CSc1nnc(C2CCCCC2)o1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,C09376685_decoy,HS90A,Decoy,0.0,-10.6201,-10.58,-0.23,-10.675191209817118
Cn1c(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nnc1-c1ccccc1,C09465746_decoy,HS90A,Decoy,0.0,-8.44916,-9.8,-3.45,-8.620421076536989
CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(C(=O)NC)c1C,C09504944_decoy,HS90A,Decoy,0.0,-10.9729,-5.92,-1.63,-5.941508743044455
COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1OC,C09518456_decoy,HS90A,Decoy,0.0,-9.41246,-10.07,-3.93,-9.496755881003024
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2)C1,C09561978_decoy,HS90A,Decoy,0.0,-8.81404,-8.83,-3.03,-10.469173488665884
O=C(NC[C@H]1COc2ccccc2O1)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1,C09608249_decoy,HS90A,Decoy,0.0,-11.2392,-9.31,-1.94,-8.731051898228554
COC(=O)C1=C(N)n2c(s/c(=C/c3cccc(OC)c3)c2=O)=C(C(=O)OC)[C@H]1c1cccc(OC)c1,C02299233_decoy,HS90A,Decoy,0.0,-10.9166,-9.16,-0.11,-15.265389482725224
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C1=O,C09753415_decoy,HS90A,Decoy,0.0,-10.6796,-8.36,-4.69,-9.164278364616882
Cc1cc(=O)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)nn1-c1cccc(C(F)(F)F)c1,C11056249_decoy,HS90A,Decoy,0.0,-8.41965,-7.9,-0.82,-6.58201435966481
CCOC(=O)NC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,C11118421_decoy,HS90A,Decoy,0.0,-10.0705,-9.41,-0.91,-10.705645967130735
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1,C12207920_decoy,HS90A,Decoy,0.0,-9.4017,-6.58,-3.21,-8.669709653480888
C[C@H](OC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(=O)Nc1cccc([N+](=O)[O-])c1,C12425932_decoy,HS90A,Decoy,0.0,-8.8347,-7.73,-2.51,-7.090373143487682
C[C@H](OC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(=O)Nc1ccccc1[N+](=O)[O-],C12426522_decoy,HS90A,Decoy,0.0,-7.28942,-8.62,-3.67,-7.968642425725648
C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1,C12768663_decoy,HS90A,Decoy,0.0,-8.23091,-11.53,-2.05,-8.734142651839587
C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1=O,C12899256_decoy,HS90A,Decoy,0.0,-9.26114,-8.65,-1.98,-6.944878444189263
CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c2ccccc2O1,C09847231_decoy,HS90A,Decoy,0.0,-9.95726,-10.57,-3.69,-9.312740133229598
Cc1c(NC(=O)c2c(NC(=O)c3cccc(COc4ccc5c(c4)CCC5)c3)cnn2C)cnn1C,C02800668_decoy,HS90A,Decoy,0.0,-11.16,-10.03,-2.08,-11.751529026295588
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C)c(C)c2)N2CCN(C(=O)c3ccco3)CC2)n1,C14160882_decoy,HS90A,Decoy,0.0,-9.64912,-8.55,-4.22,-8.139490363791131
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)C1=O,C14557805_decoy,HS90A,Decoy,0.0,-8.25443,-8.31,-2.42,-8.288628914412417
NC(=O)Cn1c(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)nc2ccccc2c1=O,C14677488_decoy,HS90A,Decoy,0.0,-8.82619,-5.8,-4.05,-5.775612690201766
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)C1=O,C15497142_decoy,HS90A,Decoy,0.0,-8.73443,-7.3,-3.63,-5.925184220660078
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,C15566764_decoy,HS90A,Decoy,0.0,-9.38564,-10.89,-4.15,-9.218608659644824
Cc1ccc2nc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1,C20284457_decoy,HS90A,Decoy,0.0,-9.35343,-9.98,-2.41,-10.356626691022624
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NC(=O)NCc1ccccc1,C20833591_decoy,HS90A,Decoy,0.0,-9.38379,-11.91,-4.18,-9.937997077811158
Cc1ccc(C)c(NC(=O)CCSc2nnc(NC(=O)Cn3c(=O)oc4ccccc43)s2)c1,C21029551_decoy,HS90A,Decoy,0.0,-8.05687,-10.01,-2.71,-7.6403230744633905
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O,C21121895_decoy,HS90A,Decoy,0.0,-8.31663,-8.38,-2.14,-7.671263984026584
CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,C21457318_decoy,HS90A,Decoy,0.0,-8.00765,-7.32,-2.55,-6.472156590238457
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(=O)c2ccco2)c1,C21577386_decoy,HS90A,Decoy,0.0,-10.546,-8.12,-3.48,-8.629873031511364
CSc1cccc(NC(=O)Nc2cc(Cl)ccc2OCc2cc(=O)n3c(ncn3C(C)C)n2)c1,C21800925_decoy,HS90A,Decoy,0.0,-10.8195,-9.55,-3.22,-9.334219086981978
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)(C3)C2,C18045175_decoy,HS90A,Decoy,0.0,-10.9149,-7.47,-2.69,-7.986719231280476
CCCNC(=O)[C@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc(C)cc4F)c(=O)c3s2)C1,C33141394_decoy,HS90A,Decoy,0.0,-11.5149,-8.32,-2.28,-10.266478787769463
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,C34900276_decoy,HS90A,Decoy,0.0,-9.37096,-5.98,-4.67,-7.305379743505949
CN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)S(=O)(=O)c1ccc(Cl)s1,C36339707_decoy,HS90A,Decoy,0.0,-10.3223,-8.88,-3.27,-9.838080093176837
NC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)[C@@]2(CCCN2C(=O)OCc2ccccc2)[C@H]1c1ccccc1,C39266134_decoy,HS90A,Decoy,0.0,-8.85546,-8.52,-2.46,-7.925235882801632
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])(C3)C2,C18084046_decoy,HS90A,Decoy,0.0,-8.92127,-9.49,-0.33,-12.18329565612968
CCCc1nnc(N2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)s1,C40061971_decoy,HS90A,Decoy,0.0,-10.5192,-5.49,-2.0,-6.5960439292419695
Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nn1-c1ccccc1[N+](=O)[O-],C45864246_decoy,HS90A,Decoy,0.0,-8.92355,-10.05,-1.26,-9.098894122715864
Cc1ccc(NC(=O)CCSc2nnc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)s2)cc1,C59317253_decoy,HS90A,Decoy,0.0,-9.49006,-10.84,-1.87,-9.161562612075418
CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O,C62595272_decoy,HS90A,Decoy,0.0,-9.39313,-9.74,-4.14,-12.957818847882066
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,C15566763_decoy,HS90A,Decoy,0.0,-9.60846,-10.86,-4.65,-9.099511134570868
Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)O[C@H](C)C(=O)N2,C35452871_decoy,HS90A,Decoy,0.0,-7.86429,-8.13,-3.04,-7.092535296038932
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1,C02617943_decoy,HS90A,Decoy,0.0,-10.3446,-9.09,-2.21,-10.944847922442904
COC(=O)c1c(NC(=O)COC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2c1CCC2,C02642351_decoy,HS90A,Decoy,0.0,-9.68502,-8.32,-3.92,-10.764450122455974
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1,C03045754_decoy,HS90A,Decoy,0.0,-9.77113,-9.34,-1.62,-9.161545708962215
CCCCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1,C03624905_decoy,HS90A,Decoy,0.0,-10.6762,-7.89,-2.68,-11.017529471664378
CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)s1,C08904191_decoy,HS90A,Decoy,0.0,-11.183,-9.68,-1.42,-9.624732377514633
COc1ccccc1NC(=O)CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)s1,C08904787_decoy,HS90A,Decoy,0.0,-10.8793,-8.33,-4.27,-7.649570739110327
COCCCNC(=O)Cn1c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c(=O)c2ccccc21,C09617226_decoy,HS90A,Decoy,0.0,-9.64876,-9.66,-2.0,-10.707343705086297
CCOC(=O)c1c(NC(=O)CSc2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)sc2c1CCC2,C02718453_decoy,HS90A,Decoy,0.0,-11.2733,-10.13,-2.17,-10.55252786520634
Cc1ccc(NC(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1S(=O)(=O)N1CCCCC1,C09725514_decoy,HS90A,Decoy,0.0,-10.2423,-9.44,-2.05,-9.269215196454995
O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(OCCc2ccccc2)c1)OC[C@@H]1CCCO1,C10333169_decoy,HS90A,Decoy,0.0,-11.4326,-8.87,-1.48,-12.722399454189963
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1,C10384809_decoy,HS90A,Decoy,0.0,-8.5766,-8.04,-4.48,-7.14056574689096
COC(=O)c1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OCCCc2ccccc2)cc1,C10455298_decoy,HS90A,Decoy,0.0,-10.5032,-8.5,-1.81,-8.948530537259106
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1,C12551708_decoy,HS90A,Decoy,0.0,-10.5613,-9.78,-3.54,-10.15253518705012
CCOCCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(C)cc2)sc2cc(S(N)(=O)=O)ccc21,C12630369_decoy,HS90A,Decoy,0.0,-10.2255,-8.27,-3.27,-9.932888973078487
COC(=O)c1c(NC(=O)[C@@H]2CCCO2)c2cc(NCc3ccccn3)cnc2n1CCc1ccccc1,C14742476_decoy,HS90A,Decoy,0.0,-11.2259,-6.21,-3.39,-7.544672433233708
COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1cccc(Br)c1,C03079777_decoy,HS90A,Decoy,0.0,-9.17413,-8.64,-1.17,-7.638781947164963
O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O,C16361928_decoy,HS90A,Decoy,0.0,-9.16769,-10.01,-3.25,-15.530552623873092
CCOc1cc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc(OCC)c1OCC,C16688392_decoy,HS90A,Decoy,0.0,-9.54941,-9.1,-4.45,-10.055669832170365
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(CCNC(=O)c2cccc(Br)c2)s1,C17971487_decoy,HS90A,Decoy,0.0,-11.4736,-10.3,-3.74,-8.511880595624664
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccccc2OC)c1C,C20193290_decoy,HS90A,Decoy,0.0,-8.89865,-7.84,-2.82,-9.675041275374165
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1,C20219725_decoy,HS90A,Decoy,0.0,-9.91809,-7.38,-1.28,-9.84195141432346
COCCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(SCC(=O)NCCC3=CCCCC3)nc2c1,C20644103_decoy,HS90A,Decoy,0.0,-11.7973,-8.3,-2.1,-13.788121521925056
COC(=O)C1=C(CS(=O)(=O)c2ccc(CC(C)C)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1,C20848893_decoy,HS90A,Decoy,0.0,-9.4082,-8.95,-5.6,-8.696739734722426
CC(C)Cc1noc(CSc2nc3ccccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)n1,C22526181_decoy,HS90A,Decoy,0.0,-11.2546,-9.42,-2.73,-10.72667993991581
CCOc1cc(C(=O)NNC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc(OCC)c1OCC,C22894668_decoy,HS90A,Decoy,0.0,-9.59145,-8.84,-3.26,-10.482852931739355
COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c([N+](=O)[O-])c1,C25146724_decoy,HS90A,Decoy,0.0,-8.06335,-5.92,-0.57,-5.814009263556786
CCOC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2)c1C,C28605348_decoy,HS90A,Decoy,0.0,-10.3207,-9.6,-3.4,-9.409584172798974
O=C(Nc1ccc([C@H]2OC(=O)N(Cc3cccc(F)c3)[C@@H]2C(=O)NCc2ccco2)cc1)c1ccco1,C35757167_decoy,HS90A,Decoy,0.0,-10.8209,-5.86,-3.13,-7.024488535757583
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1,C36001563_decoy,HS90A,Decoy,0.0,-9.85576,-4.97,-0.7,-6.101660681671914
COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(OC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@H]1CCCC[C@H]1C,C36066432_decoy,HS90A,Decoy,0.0,-10.1247,-5.32,-1.75,-6.658471108936667
Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4ccco4)cc3)[C@@H]2C(=O)NCc2ccccn2)c1,C36217155_decoy,HS90A,Decoy,0.0,-10.6776,-7.6,-2.33,-7.997701600094609
Cc1ccccc1CN1C(=O)O[C@@H](c2ccc(NC(=O)c3ccco3)cc2)[C@H]1C(=O)NCc1ccco1,C36220409_decoy,HS90A,Decoy,0.0,-9.07576,-5.4,-3.64,-6.241928433269116
Cc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2cccc(O)c2)o1,C36601300_decoy,HS90A,Decoy,0.0,-7.48354,-8.64,-1.63,-8.507060897475387
Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2cccc(O)c2)o1,C36602996_decoy,HS90A,Decoy,0.0,-9.278,-9.5,-5.07,-11.761944763231725
CO[C@@H]1CN(c2cc(-c3ccccc3)ccc2NS(=O)(=O)S(=O)(=O)Oc2ccccc2)CCN1,C39481981_decoy,HS90A,Decoy,0.0,-9.69433,-5.97,,99.0
CC1=C[C@@H](NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4cccs4)C(=O)N23)N=N1,C39556152_decoy,HS90A,Decoy,0.0,-11.9619,-9.61,-1.42,-10.58300393396356
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1,C39595736_decoy,HS90A,Decoy,0.0,-10.7806,-10.63,-2.85,-10.059746980416325
C=CCn1c(S[C@H](C)C(=O)Nc2nnc(C3CC3)s2)nnc1[C@H](C)NC(=O)c1ccccc1F,C39744254_decoy,HS90A,Decoy,0.0,-12.1138,-9.07,-1.84,-9.399425348050276
C=CCn1c(S[C@H](C)C(=O)Nc2nnc(C3CC3)s2)nnc1[C@@H](C)NC(=O)c1ccccc1F,C39744256_decoy,HS90A,Decoy,0.0,-11.2165,-7.38,-3.77,-9.713397685042418
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cs/c(=N\N=C\c4ccc(O)cc4)[nH]3)c2)CC1,C39774690_decoy,HS90A,Decoy,0.0,-11.3334,-10.41,-5.28,-10.012768125384676
COc1ccc(/C=N/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2c2cccc(O)c2)cc1OC,C33928745_decoy,HS90A,Decoy,0.0,-10.3526,-10.01,-3.67,-9.191549624789124
O=C(NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1,C40659402_decoy,HS90A,Decoy,0.0,-8.425,-8.06,-1.13,-7.277342097269074
Cc1cc(NC(=O)CSc2nc(C[C@@H]3C[C@H]4CC[C@@H]3C4)nc3c2c(=O)[nH]c(=O)n3CC(C)C)no1,C46877275_decoy,HS90A,Decoy,0.0,-11.7985,-10.42,-2.34,-11.813438573472393
Cc1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(C)cc3)n2/N=C/c2ccco2)cc1,C59937902_decoy,HS90A,Decoy,0.0,-9.11957,-9.1,-1.18,-9.735278645388853
C=CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2,C13523991_decoy,HS90A,Decoy,0.0,-11.2811,-9.49,-4.01,-9.15651500516454
Cc1cc(C)nc(N/C(=N/C(=O)CS[C@@H]2N=CCN2C)[N-]CCC2=c3cc(Cl)ccc3=[NH+]C2)n1,C63279862_decoy,HS90A,Decoy,0.0,-10.8623,-8.93,-1.65,-9.987079325126388
CCCCOc1ccc(C2=NN=C3OC(N)=C(C#N)[C@]4(C(=O)N(CC(=O)OC)c5ccccc54)[C@@H]32)cc1,C08439715_decoy,HS90A,Decoy,0.0,-7.74854,-5.52,-2.55,-6.070345550092631
COCCCN1CNN=C1SCC1=NC(=O)C2=C(C)[C@H](C(=O)Nc3ccc(C)cc3C)SC2=N1,C40016905_decoy,HS90A,Decoy,0.0,-10.1981,-8.1,-1.53,-8.299656757474363
CCOc1ccccc1CNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccc(C)cc1)C2,C64953986_decoy,HS90A,Decoy,0.0,-9.09148,-9.51,-3.4,-9.254199718610254
CCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(F)cc2)C3)cc1,C64954058_decoy,HS90A,Decoy,0.0,-7.06676,-6.32,-2.51,-6.056437939467748
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1,C02520367_decoy,HS90A,Decoy,0.0,-9.13795,-10.74,-0.21,-8.74141608316449
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1cccc(C(F)(F)F)c1,C02857292_decoy,HS90A,Decoy,0.0,-6.57505,-8.51,-0.65,-7.691138700076037
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[nH]n23)cc1C,C06915620_decoy,HS90A,Decoy,0.0,-11.317,-10.55,-1.83,-9.410869477270497
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(C)o3)c2)c(C)c1,C07853199_decoy,HS90A,Decoy,0.0,-9.99294,-11.01,-3.35,-9.688403033075222
Cc1cccc(C(O)(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2cccc(C)c2)c1,C01435807_decoy,HS90A,Decoy,0.0,-8.48656,-10.25,-2.64,-8.22110315863835
Cc1cccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1O,C01434964_decoy,HS90A,Decoy,0.0,-8.34013,-10.59,-3.43,-7.763564522547449
Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1,C01150807_decoy,HS90A,Decoy,0.0,-9.99144,-5.13,-4.34,-5.576678089712508
COC(=O)c1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1,C08950221_decoy,HS90A,Decoy,0.0,-10.8384,-9.06,-3.11,-9.586686779929028
Cc1cc(NC(=O)CCCCc2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1,C09018163_decoy,HS90A,Decoy,0.0,-9.40958,-10.32,-1.75,-9.730005901637409
Cc1cccc(-n2ncc3c(O)nc(SCC(=O)Nc4ccccc4C)nc32)c1,C09522392_decoy,HS90A,Decoy,0.0,-9.2084,-8.94,-0.99,-10.18699285541402
Cc1cc2nc(Nc3nc(CSc4ccccn4)cc(=O)[nH]3)nc(C)c2cc1C,C09939033_decoy,HS90A,Decoy,0.0,-10.4029,-10.68,-0.92,-11.872562349310837
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)CC(C)(C)C)[nH]c1=O,C11855041_decoy,HS90A,Decoy,0.0,-10.3215,-7.93,-1.45,-9.755474495300843
CC(C)(C)CC(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCCC2,C11855876_decoy,HS90A,Decoy,0.0,-10.5933,-8.31,-1.08,-9.460386504242392
Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)[nH]c(=O)c1C,C12126900_decoy,HS90A,Decoy,0.0,-9.93868,-5.65,-1.96,-6.328057164127073
C[C@H](Sc1nc(NC2CC2)c2ccccc2n1)C(=O)N1CC(=O)Nc2ccccc21,C14199536_decoy,HS90A,Decoy,0.0,-8.77188,-5.87,-1.79,-5.55940350710688
C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1,C14792902_decoy,HS90A,Decoy,0.0,-7.75874,-8.67,-1.23,-7.436741653560229
Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(NCc4ccc(F)cc4)nn23)c1,C15776446_decoy,HS90A,Decoy,0.0,-10.1749,-10.27,-2.07,-10.111781497365252
O=C(Nc1ccccc1F)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F,C16441640_decoy,HS90A,Decoy,0.0,-8.09764,-7.06,-2.56,-6.517269211404537
CC(C)c1nc2ccc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)cc2s1,C19453837_decoy,HS90A,Decoy,0.0,-10.8784,-9.51,-3.67,-10.215885589244502
CCOc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2)o1,C21037060_decoy,HS90A,Decoy,0.0,-9.79117,-6.37,-2.94,-6.923522361305332
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1[N+](=O)[O-],C21344934_decoy,HS90A,Decoy,0.0,-8.58799,-7.41,-1.35,-7.67114111086971
CCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1,C21634909_decoy,HS90A,Decoy,0.0,-10.3495,-9.7,-2.11,-8.424545871729329
CC(C)(Oc1ccccc1)C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1,C22432519_decoy,HS90A,Decoy,0.0,-8.37795,-11.04,-1.35,-8.25796848799837
CCOC(=O)c1ccc(O[C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,C24090361_decoy,HS90A,Decoy,0.0,-10.3837,-8.75,-1.96,-10.11501601741714
Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)c3cccc(N(C)C)c3)c(C)c12,C25183639_decoy,HS90A,Decoy,0.0,-8.61318,-7.87,-1.34,-6.609799490256331
COc1ccccc1C(=O)N1[C@@H](C(=O)Nc2ccc(NC(C)=O)cc2)C[C@@H]2CCCC[C@H]21,C32832963_decoy,HS90A,Decoy,0.0,-8.67719,-8.5,-2.63,-8.167961443283563
Cc1cccc(C)c1NC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(C)C,C35171629_decoy,HS90A,Decoy,0.0,-7.63143,-7.34,-1.41,-7.6271035231407796
Cc1cccc(-n2c(SCC(=O)Nc3cccc(O)c3)nnc2-c2ccccn2)c1C,C35289286_decoy,HS90A,Decoy,0.0,-9.6766,-5.69,-0.63,-6.213867805092836
Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)c(C)c1,C05039578_decoy,HS90A,Decoy,0.0,-7.99597,-10.45,-2.78,-8.40441155565319
Cc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)n2)cc1,C36630943_decoy,HS90A,Decoy,0.0,-10.5157,-9.25,-0.41,-9.796914017295109
CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O,C38140285_decoy,HS90A,Decoy,0.0,-10.2889,-9.0,-5.0,-9.320463488245046
O=[N+]([O-])c1c(NCCc2cccs2)ncnc1Nc1ccccc1Br,C40648346_decoy,HS90A,Decoy,0.0,-9.48825,-8.21,-1.12,-10.11614106228729
O=[N+]([O-])c1c(NCc2ccc(F)cc2)ncnc1Nc1ccc(C(F)(F)F)cc1,C40660943_decoy,HS90A,Decoy,0.0,-5.82182,-5.96,-2.22,-4.047733217118579
COC(=O)c1ccc(Oc2ncnc(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2N)cc1,C40700652_decoy,HS90A,Decoy,0.0,-9.65109,-8.52,-1.23,-7.428933394811825
COc1ccccc1C(=O)N/N=C1\CCCc2oc(C(=O)NC3CCCC3)c(C)c21,C40813102_decoy,HS90A,Decoy,0.0,-9.68544,-10.93,-0.42,-10.877387212499269
Cc1ccc(S(=O)(=O)N/N=C2\CCCc3oc(C(=O)NC4CCCC4)c(C)c32)cc1,C40815121_decoy,HS90A,Decoy,0.0,-11.4616,-10.39,-1.24,-9.61918219274244
CCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1,C40976155_decoy,HS90A,Decoy,0.0,-9.08773,-11.04,-1.68,-9.442534085107422
CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1,C44999338_decoy,HS90A,Decoy,0.0,-8.63546,-8.27,-1.5,-7.460619063691462
CNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1,C45351211_decoy,HS90A,Decoy,0.0,-8.16063,-8.82,-2.89,-6.555896994306183
Cc1cc2nc(C)c(CCC(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)c(C)n2n1,C52633820_decoy,HS90A,Decoy,0.0,-9.10187,-9.9,-4.35,-9.44783186325408
C=CCN1C(=O)/C(=C/c2ccc(O)cc2O)S/C1=N\S(=O)(=O)c1ccc(F)cc1,C16754999_decoy,HS90A,Decoy,0.0,-9.53742,-6.78,-1.35,-6.823662617300355
C[C@@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-],C42510523_decoy,HS90A,Decoy,0.0,-7.93304,-6.48,-1.99,-6.901975195396326
CC(C)(C)c1nnc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)[nH]c1=O,C15230837_decoy,HS90A,Decoy,0.0,-8.68401,-9.6,-1.36,-7.780999683802005
CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)n1,C58414422_decoy,HS90A,Decoy,0.0,-12.4746,-5.88,-3.25,-6.560282027414276
COc1ccnc(NNC(=O)c2oc3ccccc3c2CSC2CCCCC2)n1,C46364251_decoy,HS90A,Decoy,0.0,-9.52327,-8.35,-1.24,-8.1907277603826
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C,C58913516_decoy,HS90A,Decoy,0.0,-6.86558,-5.67,-1.98,-4.673428663314498
CC[C@@H]1CCc2nc(NC(=O)CN3C(=O)N[C@](C)(c4ccc(C)cc4)C3=O)sc2C1,C59318116_decoy,HS90A,Decoy,0.0,-10.0151,-9.54,-1.42,-13.834668615354728
O=C(CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n12)Nc1ccccc1F,C20986975_decoy,HS90A,Decoy,0.0,-11.3557,-5.59,-1.36,-6.733094090038823
Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccccc3)cc(=O)n2o1,C46012546_decoy,HS90A,Decoy,0.0,-9.00916,-10.11,-2.01,-8.475692418257081
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1cccc2ccccc12,C66198606_decoy,HS90A,Decoy,0.0,-8.23095,-8.18,-2.01,-6.439846573246109
Cc1ccc(-c2nnc(S[C@H](C(=O)NC(N)=O)C(C)C)n2-c2ccc(C)cc2)cc1,C04541230_decoy,HS90A,Decoy,0.0,-8.5942,-9.53,-1.24,-9.827668228771932
C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)NC(N)=O,C02619291_decoy,HS90A,Decoy,0.0,-9.36724,-6.52,-1.37,-5.930202811164973
COc1ccccc1/C=N/NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1,C05250077_decoy,HS90A,Decoy,0.0,-10.9981,-6.66,-3.19,-8.603705248697631
O=C(CSc1nc2ccccc2n1C1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1,C09594310_decoy,HS90A,Decoy,0.0,-5.69158,-6.59,-2.51,-4.586148241044146
CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)NCc3ccco3)n2)cc1,C09785771_decoy,HS90A,Decoy,0.0,-10.5481,-7.13,-1.19,-7.742868351497261
C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)NC(=O)Nc1ccccc1,C11016409_decoy,HS90A,Decoy,0.0,-8.79508,-7.79,-2.06,-6.372583494955499
C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br,C12586967_decoy,HS90A,Decoy,0.0,-7.75831,-8.31,-3.17,-7.320173261563769
Cc1ccccc1Nc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)s1,C03313849_decoy,HS90A,Decoy,0.0,-10.5014,-9.6,-0.17,-7.535093066319889
COC(=O)c1cccc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c1,C14788076_decoy,HS90A,Decoy,0.0,-9.95065,-6.09,-1.0,-7.107062458211039
Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)Nc4ccccc4)n3)sc2c1,C15880597_decoy,HS90A,Decoy,0.0,-9.57979,-7.66,-0.78,-7.432954485023099
Cc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccccc3F)s2)cc1,C15882656_decoy,HS90A,Decoy,0.0,-10.4032,-8.43,-1.73,-7.672255562032103
Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(COc2c(C)cccc2C)n1N,C18764393_decoy,HS90A,Decoy,0.0,-9.70041,-9.68,-1.47,-7.247411548584531
Cc1ccc2[nH]c(C)c(CCNC(=O)C[C@@H]3NC(=O)N(C4CCCCC4)C3=O)c2c1,C19220087_decoy,HS90A,Decoy,0.0,-8.12431,-10.92,-1.36,-10.389953120411686
O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1cccc2ccccc12,C20608311_decoy,HS90A,Decoy,0.0,-9.64503,-10.96,-1.16,-8.60870421216207
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc4ccccc34)n2)cc1,C20905234_decoy,HS90A,Decoy,0.0,-8.59907,-5.62,-0.85,-5.136797534614165
Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc(F)cc3C)n[nH]2)cc1,C20907847_decoy,HS90A,Decoy,0.0,-9.00973,-8.97,-1.54,-7.934827253664485
Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2N)c2ccccc2)cc1,C21165993_decoy,HS90A,Decoy,0.0,-10.6419,-9.34,-2.7,-11.690971845435
O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)Nc2ccccc2)cc1,C23011857_decoy,HS90A,Decoy,0.0,-9.47486,-9.41,-4.83,-7.694380892916455
Cc1ccc(Nc2nc(N)nc(CSCc3coc(-c4cccs4)n3)n2)cc1,C27195986_decoy,HS90A,Decoy,0.0,-11.1038,-8.35,0.04,-7.67288437029586
CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1,C27603880_decoy,HS90A,Decoy,0.0,-9.37725,-7.01,-3.63,-5.99285555818122
NC(=O)Nc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1,C28797656_decoy,HS90A,Decoy,0.0,-8.96366,-9.23,-3.9,-9.206521017983304
Cc1ccc(-c2csc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)n2)c(C)c1,C30564964_decoy,HS90A,Decoy,0.0,-7.68999,-8.06,-1.06,-5.067288544066062
CCc1ccc2nc(NCCNC(=O)Nc3cccc(C(C)=O)c3)c(C#N)cc2c1,C35314801_decoy,HS90A,Decoy,0.0,-9.06492,-10.27,-2.12,-8.997908768851357
Cc1cccc(C)c1NC(=O)NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1,C01047712_decoy,HS90A,Decoy,0.0,-7.81153,-9.92,-2.48,-8.81438661625819
CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(C#N)cc2c1,C20150295_decoy,HS90A,Decoy,0.0,-9.29348,-9.82,-4.72,-8.560135352170567
CCCC1=C(C)NN(c2ccccc2C(=O)NCCn2c(=O)[nH]c3ccccc32)[C@@H]1C,C39302053_decoy,HS90A,Decoy,0.0,-9.11559,-9.36,-2.3,-9.457921756192416
CCN1[C@H](COc2cc(C)ccc2C)NN[C@@H]1SCc1nc2ccccc2c(=O)[nH]1,C39354326_decoy,HS90A,Decoy,0.0,-8.57201,-9.73,-3.76,-11.587272612854717
Cc1cccc(N2C(SCc3ccc(F)cc3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361776_decoy,HS90A,Decoy,0.0,-8.78804,-8.94,-1.2,-9.569769564517417
Cc1cccc(N2C(SCc3ccccc3C)=NN[C@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361779_decoy,HS90A,Decoy,0.0,-8.8454,-7.28,-0.84,-7.449789282134528
CCOC(=O)[C@@H]1CCCN(c2ncnc(Nc3ccccc3C(F)(F)F)c2N)C1,C40701746_decoy,HS90A,Decoy,0.0,-8.84155,-8.57,-1.7,-8.982122253700997
Cc1ccc(C(=O)N/N=C2\CCCc3oc(C(=O)NNc4ccccc4)c(C)c32)cc1,C40804646_decoy,HS90A,Decoy,0.0,-10.5094,-10.87,-2.57,-9.312051918644832
C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1N)C(=O)NCc1ccco1,C41769658_decoy,HS90A,Decoy,0.0,-9.61199,-9.35,-2.33,-6.977538765931017
O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)NCc2ccco2)cc1,C45873259_decoy,HS90A,Decoy,0.0,-9.36898,-10.29,-5.08,-9.366664369633192
COc1cc(NC(=O)NCc2sccc2C)ccc1NC(=O)OC(C)(C)C,C46987296_decoy,HS90A,Decoy,0.0,-9.04071,-5.58,-3.13,-6.095338871947881
N#CCOc1ccc(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)cc1,C56565100_decoy,HS90A,Decoy,0.0,-9.24403,-11.4,-3.7,-9.926554364483833
CCOC(=O)c1cc2cc(NC(=O)N[C@@H](C)c3cccc(NC(C)=O)c3)ccc2s1,C57994846_decoy,HS90A,Decoy,0.0,-10.9677,-9.01,-4.24,-8.92608828273226
Cc1ccc(NC(=O)NC(=O)CSc2nnc(NCC(C)C)s2)c(C)c1,C07268466_decoy,HS90A,Decoy,0.0,-11.1279,-7.94,-1.02,-7.492653713508408
CC[NH+](CC)c1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1,C58301908_decoy,HS90A,Decoy,0.0,-8.64716,-9.07,-3.81,-6.860889256216362
O=C(CSc1n[nH]c(N/N=C/c2ccc(Cl)cc2)n1)Nc1cc(F)ccc1F,C59015293_decoy,HS90A,Decoy,0.0,-10.0165,-9.95,-3.33,-7.769730036365074
Cc1ccc(/C=N/Nc2nc(SCC(=O)NC3C4CC5CC(C4)CC3C5)n[nH]2)cc1,C59019407_decoy,HS90A,Decoy,0.0,-10.2807,-9.71,-3.55,-7.577962089264288
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cccc(Cl)c3)n2)c(C)c1,C59019650_decoy,HS90A,Decoy,0.0,-9.72169,-9.76,-0.87,-7.996348554491185
O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1cccc(Cl)c1,C21084463_decoy,HS90A,Decoy,0.0,-10.2102,-8.97,-2.09,-9.212919134066391
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1,C05383723_decoy,HS90A,Decoy,0.0,-8.31925,-6.18,-2.96,-6.040556058024865
CCCCc1cc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)[nH]n1,C64078250_decoy,HS90A,Decoy,0.0,-10.9697,-8.51,-1.93,-8.061774408988116
Cc1cccc(NC(=O)NCC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1,C64836123_decoy,HS90A,Decoy,0.0,-8.82892,-9.12,-2.43,-8.046000731934576
Cc1ccc(-c2nnc(NC(=O)CNC(=O)NCC3CCCC3)s2)c(C)c1,C50612345_decoy,HS90A,Decoy,0.0,-9.86525,-10.63,-1.81,-7.791071976275776
Cc1cccc(C)c1OCCCNC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66679005_decoy,HS90A,Decoy,0.0,-9.05411,-10.22,-1.73,-9.256823481959987
COCCN(C)C(=O)Nc1cccc(NC(=O)Nc2cccc3c2CCCC3)c1,C66957179_decoy,HS90A,Decoy,0.0,-8.43849,-8.8,-5.4,-7.0172962366668985
O=C(CC1CCCCC1)NNC(=O)NCCc1cc(Cl)c2c(c1)OCCO2,C67038576_decoy,HS90A,Decoy,0.0,-9.61396,-9.05,-1.91,-13.284275382486536
COCCCNC(=O)N1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1,C67580917_decoy,HS90A,Decoy,0.0,-8.93324,-9.17,-4.35,-7.982322474437606
CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC(N)=O)n2-c2ccccc2)cc1,C03457868_decoy,HS90A,Decoy,0.0,-9.74798,-8.38,-2.2,-8.948010407300673
COC(=O)[C@H]1/C(=C\Sc2nc3ccccc3[nH]2)NC(=O)N[C@H]1c1ccc(F)cc1,C03192532_decoy,HS90A,Decoy,0.0,-8.96325,-8.91,-1.12,-9.194900587624575
C=C1Nc2[nH]c(=O)[nH]c(=O)c2[C@H](c2ccc(C)s2)[C@H]1C(=O)OCc1ccccc1,C03277060_decoy,HS90A,Decoy,0.0,-9.24865,-6.17,-1.97,-6.83623712933119
O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)NC1CCCCC1,C04851264_decoy,HS90A,Decoy,0.0,-10.13,-7.99,-3.41,-6.869652345310056
Cc1ccccc1NC(=O)CSc1nnc(NC(=O)NC2CCCCC2)s1,C04851343_decoy,HS90A,Decoy,0.0,-10.6997,-9.25,-2.78,-8.105122525282473
Cc1cccc(Nc2nnc(SCC(=O)NC(=O)NC(C)(C)C)s2)c1,C02655499_decoy,HS90A,Decoy,0.0,-9.77524,-8.93,-0.99,-7.451389743317454
Nc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1,C05636790_decoy,HS90A,Decoy,0.0,-11.3939,-10.72,-3.41,-9.63333906143013
CCOC(=O)c1c(NC(=O)N/N=C\c2ccccc2O)sc2c1CCC2,C05953167_decoy,HS90A,Decoy,0.0,-9.4335,-7.57,-2.26,-8.633155807501083
Cc1ccccc1NC(=O)Nc1sc(NS(=O)(=O)c2ccccc2)nc1C,C01125105_decoy,HS90A,Decoy,0.0,-9.2425,-8.74,-1.17,-6.728567598444434
CCOc1ccccc1NC(=O)c1csc(NC(=O)Nc2ccc(F)cc2)n1,C09320113_decoy,HS90A,Decoy,0.0,-9.7435,-7.56,-1.03,-7.709818732924612
C[C@H](S[C@H](C)c1nc(N)nc(Nc2ccccc2)n1)C(=O)N1CCCCCC1,C12555830_decoy,HS90A,Decoy,0.0,-8.46858,-6.97,0.17,-7.170850879062458
O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(-c2ccccc2F)o1,C14253057_decoy,HS90A,Decoy,0.0,-9.45579,-6.06,-2.81,-5.857947900869919
Cc1nc(Nc2nc(C)c(CC(C)C)c(=O)[nH]2)[nH]c(=O)c1Cc1ccccc1,C16808718_decoy,HS90A,Decoy,0.0,-7.72709,-9.59,-3.76,-7.051988426174165
C=CCc1c(C)nc(Nc2nc(C)c(Cc3ccc(C)cc3)c(=O)[nH]2)[nH]c1=O,C16809492_decoy,HS90A,Decoy,0.0,-8.71215,-9.49,-1.79,-7.074862877268083
Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1,C09045111_decoy,HS90A,Decoy,0.0,-9.34634,-8.66,0.16,-7.814740422858713
CCN(CC)c1ccc(C(=O)NNC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1,C24350510_decoy,HS90A,Decoy,0.0,-10.4273,-6.73,-4.17,-7.628105366496944
CNc1nc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccccc12,C24600307_decoy,HS90A,Decoy,0.0,-10.2405,-10.04,-0.55,-11.96174547285703
CNc1nc(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nc2ccccc12,C24600310_decoy,HS90A,Decoy,0.0,-9.21593,-10.01,-1.0,-10.01844301318491
Cc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1,C24833684_decoy,HS90A,Decoy,0.0,-9.07259,-10.28,-3.27,-7.724849355787504
O=C(CCNC(=O)Nc1ccccc1)Nc1ccc2nc(N3CCCC3)sc2c1,C25066980_decoy,HS90A,Decoy,0.0,-10.4777,-9.15,-2.41,-8.431071326002096
O=C(Nc1sc(NN=Cc2cccc(O)c2)nc1-c1cccs1)c1ccco1,C26771338_decoy,HS90A,Decoy,0.0,-11.4319,-6.98,-1.37,-6.901919082057282
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C)cc2)NC(=S)N1,C28423192_decoy,HS90A,Decoy,0.0,-9.74979,-5.82,-0.82,-5.332050938821591
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1,C28526771_decoy,HS90A,Decoy,0.0,-8.15331,-8.29,-0.85,-8.16400492571202
CCC(=O)Nc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)c1,C29076593_decoy,HS90A,Decoy,0.0,-10.0835,-8.31,-5.28,-8.934413392936829
CC(C)NC(=O)Nc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1,C31002863_decoy,HS90A,Decoy,0.0,-9.87313,-10.53,-2.69,-9.025735721317488
COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(NC(=O)Nc2ccccc2)c1,C35304075_decoy,HS90A,Decoy,0.0,-7.78817,-7.74,-1.6,-7.205952227454426
Nc1c2c(-c3ccccc3)nc(NCc3ccccn3)nc2nn1-c1cccc(F)c1,C35576767_decoy,HS90A,Decoy,0.0,-8.61056,-9.14,-1.47,-7.498269633050063
Cc1cc(-c2sccc2Cl)nc(NC(=N/O)/C(=N/O)c2ccccc2)n1,C39448598_decoy,HS90A,Decoy,0.0,-9.57488,-8.96,-1.3,-9.055536435152696
Cc1ccc(N2[C@@H](SCc3nc4ccccc4[nH]3)NN[C@H]2c2cnccn2)cc1,C39584163_decoy,HS90A,Decoy,0.0,-8.77632,-9.91,-2.32,-8.336960294310861
CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(O)cc2)sc2c1CCC2,C40840160_decoy,HS90A,Decoy,0.0,-8.67382,-7.9,-2.13,-7.80851117078708
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2F)NC(=S)N1,C41107297_decoy,HS90A,Decoy,0.0,-7.86894,-8.97,-1.07,-7.98295528111322
O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br,C43132589_decoy,HS90A,Decoy,0.0,-7.29503,-8.67,-4.31,-6.609297017763235
Cc1c(C(=O)NNC(=O)N[C@H](c2ccccc2)c2ccco2)oc2ccccc12,C45156310_decoy,HS90A,Decoy,0.0,-7.57087,-6.02,-1.3,-5.306523706327535
C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1ccc(OC(F)(F)F)cc1,C45521388_decoy,HS90A,Decoy,0.0,-7.68857,-8.18,-2.41,-6.443287401807994
O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1Br,C48452544_decoy,HS90A,Decoy,0.0,-7.6197,-9.01,-3.02,-8.30278923930715
CC/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O,C06186930_decoy,HS90A,Decoy,0.0,-7.48251,-10.19,-1.52,-7.0723745055304645
COC(=O)c1cc(S(N)(=O)=O)ccc1N[C@H](C)c1oc2ccccc2c1C,C52432352_decoy,HS90A,Decoy,0.0,-9.30524,-9.59,-3.69,-11.547078095627716
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc1,C17303605_decoy,HS90A,Decoy,0.0,-7.00502,-9.32,-1.48,-6.444834449039084
C/C(=N\Nc1nc(SCc2nc3ccc(C)cc3[nH]2)n[nH]1)c1cccs1,C21083071_decoy,HS90A,Decoy,0.0,-10.5167,-9.81,-2.21,-9.33412370773338
C[C@@H](NC(=O)Nc1ccccc1OC[C@@H]1CCCCO1)c1nc2ccccc2[nH]1,C56562943_decoy,HS90A,Decoy,0.0,-9.34782,-10.63,-3.09,-9.561628944259676
Cc1c(C(=O)NNC(=O)C[C@H](C)NC(=O)c2ccccc2)oc2ccccc12,C17604037_decoy,HS90A,Decoy,0.0,-8.36441,-10.27,-2.5,-8.000868963350243
CC(C)c1ccc([C@H](C)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1,C38780506_decoy,HS90A,Decoy,0.0,-8.80766,-8.37,-2.25,-6.683079330756283
Cc1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCCC3)n2)c(F)c1,C59040228_decoy,HS90A,Decoy,0.0,-9.89662,-9.58,-0.11,-8.058899857727374
CCOc1ccccc1NC(=O)C(=O)N/[NH+]=C/c1c([O-])ccc2ccccc12,C03184169_decoy,HS90A,Decoy,0.0,-8.03387,-9.3,-0.75,-6.539111064211807
O=C(CCCNC(=O)N1CC(O)=Nc2ccccc21)Nc1cccc2ccccc12,C17113160_decoy,HS90A,Decoy,0.0,-9.04374,-6.46,-1.96,-5.753143677743295
CCCCn1c(=O)[nH]c2cc([C@@H]3N[C@H](c4cccc(Cl)c4)NO3)ccc2c1=O,C64870610_decoy,HS90A,Decoy,0.0,-9.01349,-4.46,-2.21,-4.658444705203651
O=C(NCCc1cccs1)NNC(=O)c1cc(-c2cccc(Cl)c2)on1,C65199609_decoy,HS90A,Decoy,0.0,-11.501,-9.16,-4.99,-8.40164177634856
COC(=O)Nc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1,C66345957_decoy,HS90A,Decoy,0.0,-8.31732,-8.63,-1.05,-6.941289841814187
C[C@@H](CC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1)NC(=O)C1CCCCC1,C66642426_decoy,HS90A,Decoy,0.0,-8.88875,-9.49,-2.05,-8.892303706907917
C[C@@H](NC(=O)NC[C@@H](O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1,C67461424_decoy,HS90A,Decoy,0.0,-8.99428,-9.77,-1.68,-7.343607630957382
COC(=O)NC(=O)c1c(NC(=O)c2cccc(OC)c2OC)sc2c1CC[C@@H](C)C2,C09298158_decoy,HS90A,Decoy,0.0,-9.20027,-7.14,-1.93,-7.648595275597527
C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1=O,C03287374_decoy,HS90A,Decoy,0.0,-8.44018,-11.16,-2.89,-11.026598360380758
COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2cc(C)on2)cc1OC,C10353067_decoy,HS90A,Decoy,0.0,-10.1801,-5.29,-1.21,-6.000903598185487
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(Br)o2)n1,C11854637_decoy,HS90A,Decoy,0.0,-10.5602,-8.66,-1.44,-9.743170887292456
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2,C11855784_decoy,HS90A,Decoy,0.0,-9.77269,-9.89,-1.29,-10.562734272045
C[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2,C11855785_decoy,HS90A,Decoy,0.0,-9.81582,-10.01,-1.53,-9.288814379581812
CCC[C@@]1(C2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O,C11871713_decoy,HS90A,Decoy,0.0,-9.46839,-8.07,-0.84,-7.143314170875647
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2=O)cc1,C11917733_decoy,HS90A,Decoy,0.0,-7.74301,-10.23,-3.58,-7.358765573739104
O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc(F)cc1F,C12009456_decoy,HS90A,Decoy,0.0,-9.43035,-10.2,-1.22,-9.40193105443712
O=C(COc1ccc2ccccc2c1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2,C12130512_decoy,HS90A,Decoy,0.0,-10.1656,-10.49,-2.17,-10.781358193378171
O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3o2)CC1,C12431533_decoy,HS90A,Decoy,0.0,-8.25253,-10.94,-2.61,-8.787010619430195
O=C(CSc1nc(-c2cccs2)nc2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O,C13109169_decoy,HS90A,Decoy,0.0,-11.4639,-5.89,-4.25,-7.028564753971823
CC(C)C(=O)NNC(=O)CSc1nnc2c3c4c(sc3nc(C(C)C)n12)C[C@H](C)CC4,C13502543_decoy,HS90A,Decoy,0.0,-10.8818,-8.87,-5.04,-8.718712755670603
O=C(C[NH+]1CCC[C@@H]1c1nnc2ccccn12)Nc1cc(-c2ccccc2)sc1C(=O)[O-],C14185013_decoy,HS90A,Decoy,0.0,-7.52796,-7.92,-1.39,-6.599652813183116
CCCc1c(OC)c2c(c(OC)c1[C@@H]1C(C#N)=C(N)OC3=C1C(=O)CC(C)(C)C3)OCO2,C15084747_decoy,HS90A,Decoy,0.0,-8.3762,-6.16,0.12,-6.967264775543054
CCCc1c(OC)c2c(c(OC)c1[C@H]1C(C#N)=C(N)OC3=C1C(=O)CC(C)(C)C3)OCO2,C15084749_decoy,HS90A,Decoy,0.0,-8.37854,-5.82,0.05,-7.102993417663627
Cc1ccccc1-n1c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nnc1-c1cccnc1,C16072156_decoy,HS90A,Decoy,0.0,-7.5717,-8.0,-3.12,-7.694158243119721
COc1ccccc1-c1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1cccnc1)=C(C)N2,C17243693_decoy,HS90A,Decoy,0.0,-9.36415,-9.1,-0.89,-8.458725056153533
C[C@H]1CCCN(c2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1,C18049693_decoy,HS90A,Decoy,0.0,-8.2075,-7.61,-5.44,-6.530244632887901
O=C(C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl,C21133563_decoy,HS90A,Decoy,0.0,-9.01376,-5.44,-1.43,-5.628802825509117
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)sc2c1CC[C@H](C)C2,C21706360_decoy,HS90A,Decoy,0.0,-9.7784,-10.15,-2.04,-9.76191600885612
Nc1nccnc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1,C21868730_decoy,HS90A,Decoy,0.0,-9.23022,-8.55,-2.62,-7.896084004304765
CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1,C22022778_decoy,HS90A,Decoy,0.0,-8.30768,-5.19,-1.5,-6.484293476824101
CC(C)[C@](C)(C#N)NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1,C22613949_decoy,HS90A,Decoy,0.0,-9.16072,-8.21,-2.33,-8.490425921895811
C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccccc1,C23269266_decoy,HS90A,Decoy,0.0,-8.72629,-9.33,-1.61,-9.465291950715203
Cc1occc1-c1nnc(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)n1-c1ccccc1,C23635381_decoy,HS90A,Decoy,0.0,-9.12971,-8.29,-3.7,-7.521556618724488
Cc1occc1-c1nnc(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)n1-c1ccccc1,C23635383_decoy,HS90A,Decoy,0.0,-8.33397,-6.66,-0.12,-7.233950047017365
Cc1ccc(Oc2ccccc2NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1,C24973153_decoy,HS90A,Decoy,0.0,-8.91571,-9.22,-2.94,-9.449092829718303
Cc1ccc(-n2c(S[C@H](C)c3nc(N)nc(N(C)C)n3)nc3ccccc3c2=O)cc1F,C25835497_decoy,HS90A,Decoy,0.0,-9.87937,-9.86,-3.22,-11.909638412956742
Cc1cccc(C)c1-n1c(SCC(=O)NC(=O)NCc2ccco2)nc2ccccc2c1=O,C28872170_decoy,HS90A,Decoy,0.0,-9.4048,-8.23,-1.55,-8.71929432930746
Cc1ccc(-n2c(S[C@H](C)C(=O)NC(=O)NC3CCCCC3)nnc2N2CCCC2)cc1,C28034150_decoy,HS90A,Decoy,0.0,-9.27049,-8.52,-3.34,-7.277219468867649
Cc1ccc(-n2c(S[C@@H](C)C(=O)NC(=O)NC3CCCCC3)nnc2N2CCCC2)cc1,C28034151_decoy,HS90A,Decoy,0.0,-9.00159,-10.43,-0.55,-8.555758137108509
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C1=O,C31635145_decoy,HS90A,Decoy,0.0,-9.21483,-10.25,-2.0,-10.006106364265657
CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc(F)nc2)n2nc(-c3cccc(Cl)c3)nc2N1,C32912761_decoy,HS90A,Decoy,0.0,-7.94723,-6.5,-0.22,-5.80327976429831
Cc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)Nc1cccc(C)c1C,C33123031_decoy,HS90A,Decoy,0.0,-9.76687,-11.79,-0.57,-9.786298003407596
Cc1cccc(-c2nnc(NC(=O)[C@@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)s2)c1,C35268271_decoy,HS90A,Decoy,0.0,-9.09778,-8.38,-4.31,-7.507307315050039
CCc1nc(NC2CCC(NC(=O)c3ccco3)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1,C36024887_decoy,HS90A,Decoy,0.0,-12.0086,-9.36,-3.67,-10.545221971798751
Cc1c(-c2ccccc2)oc2c(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cccc2c1=O,C36329744_decoy,HS90A,Decoy,0.0,-9.39184,-10.19,-1.88,-8.432241091114165
C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)C(=O)NC(=O)NC1CCCCC1,C19299006_decoy,HS90A,Decoy,0.0,-8.56452,-6.72,-4.03,-6.507764092013288
COc1cc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC,C08617316_decoy,HS90A,Decoy,0.0,-8.30245,-7.56,-3.26,-6.549985185948842
Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc32)o1,C38688665_decoy,HS90A,Decoy,0.0,-7.34978,-9.94,-1.85,-5.630685475793022
O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccccc1Oc1ccccc1,C36676789_decoy,HS90A,Decoy,0.0,-8.13034,-10.11,-0.91,-9.16308859803726
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc3ccccc3c1)C2=O,C21973795_decoy,HS90A,Decoy,0.0,-9.0519,-7.95,-4.19,-7.374879233007934
Cc1n[nH]c(N/N=C/c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)nc1=O,C39866905_decoy,HS90A,Decoy,0.0,-8.38663,-9.61,-1.36,-8.73701245328137
Cc1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccccc3)n2)cc1,C05434076_decoy,HS90A,Decoy,0.0,-9.35026,-11.16,-3.85,-9.457263474426188
Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1,C16309546_decoy,HS90A,Decoy,0.0,-7.53509,-7.69,-1.43,-8.103684858261067
CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)sc2c1CC[C@@H](C)C2,C08658443_decoy,HS90A,Decoy,0.0,-9.70267,-9.25,-3.8,-8.674232790063686
C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,C26626999_decoy,HS90A,Decoy,0.0,-9.14983,-8.06,-2.17,-7.552151302632799
Cc1cccc(Cn2nccc2NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c1,C59405078_decoy,HS90A,Decoy,0.0,-8.77445,-8.98,-0.96,-10.353552398759458
C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C(=O)N(c2ccccc2)N1C,C40013255_decoy,HS90A,Decoy,0.0,-9.49796,-10.35,-0.7,-12.558698720593846
COc1cc([C@H]2[NH2+]CCc3c2[nH]c2ccccc32)ccc1OCC(=O)Nc1ccccc1F,C03400079_decoy,HS90A,Decoy,0.0,-10.5223,-11.7,-1.69,-15.67558060648915
C[C@@H]([NH2+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CC(=O)Nc2ccccc21,C09782266_decoy,HS90A,Decoy,0.0,-7.79649,-10.88,-2.72,-9.02290766122072
C[C@H]([NH2+]C[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)N1CC(=O)Nc2ccccc21,C09782269_decoy,HS90A,Decoy,0.0,-8.27113,-10.73,-1.03,-8.820035347791015
C[NH+](Cc1ccccc1NCC(=O)NC(=O)Nc1ccccc1)C1CCCCC1,C10170575_decoy,HS90A,Decoy,0.0,-9.46444,-9.94,-1.32,-8.988881771356596
O=C(C[C@H]1C(=O)NCC[NH+]1Cc1ccccc1C(F)(F)F)NCC1(O)CCCCC1,C12058379_decoy,HS90A,Decoy,0.0,-8.45002,-8.36,-1.19,-8.23329997165779
NC(=O)C1(N2CCCCC2)CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1,C20481817_decoy,HS90A,Decoy,0.0,-8.4587,-6.56,-2.17,-6.601779731412693
C[NH+](Cc1nc(N)nc(Nc2ccc(Cl)cc2)n1)Cc1ccccc1C(F)(F)F,C25533119_decoy,HS90A,Decoy,0.0,-8.38721,-8.51,-1.28,-9.691484933427324
O=C(C[NH+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)NC(=O)NC1CCCC1,C26457480_decoy,HS90A,Decoy,0.0,-11.2695,-6.6,-1.19,-7.619774352610372
O=C(C[NH+]1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl)NC(=O)NC1CCCC1,C26603214_decoy,HS90A,Decoy,0.0,-9.0179,-9.53,-3.77,-9.95079479900663
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1,C14847422_decoy,HS90A,Decoy,0.0,-9.87287,-7.02,-3.52,-6.854422402429977
CCOC(=O)Cc1csc(NC(=O)c2sc3[nH+]c4cc(C)c(C)cc4cc3c2N)n1,C35291649_decoy,HS90A,Decoy,0.0,-10.0912,-5.37,-2.62,-5.658413855015287
NC(=O)c1c(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)sc2c1CCCC2,C21548697_decoy,HS90A,Decoy,0.0,-9.90449,-8.31,-2.94,-7.729690127964815
CC(C)C[C@@H]1Nc2ccc(C(=O)NCCC[NH+]3CCCC[C@@H]3C)cc2NC1=O,C06919961_decoy,HS90A,Decoy,0.0,-9.72266,-6.35,-1.04,-6.232274955242046
CC(C)C[C@@H]1Nc2ccc(C(=O)NCCC[NH+]3CCCC[C@H]3C)cc2NC1=O,C06919960_decoy,HS90A,Decoy,0.0,-9.17455,-6.59,-2.57,-7.86671705677648
CC[C@@H]1CCCCN1c1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N,C40733454_decoy,HS90A,Decoy,0.0,-8.38628,-7.15,-2.79,-7.075797708317442
Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccccc1Br,C40781458_decoy,HS90A,Decoy,0.0,-10.5011,-9.87,-3.68,-10.053861608869406
COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1F,C42640223_decoy,HS90A,Decoy,0.0,-8.37653,-9.04,-1.78,-7.204127820747464
CCN(CC)C(=O)Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,C44144148_decoy,HS90A,Decoy,0.0,-8.47221,-6.81,-1.99,-5.288209988150751
CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1,C48369145_decoy,HS90A,Decoy,0.0,-8.64127,-10.12,-3.17,-9.77838432567934
C[NH+](CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C(C1CC1)C1CC1,C50988909_decoy,HS90A,Decoy,0.0,-10.0654,-7.55,-0.56,-9.51485993884848
Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCCc4c[nH]c5ccc(C)cc45)C3)[nH]c2c1,C33072112_decoy,HS90A,Decoy,0.0,-9.10456,-10.33,-3.61,-8.002758630145685
C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1,C55027384_decoy,HS90A,Decoy,0.0,-8.7517,-9.78,-3.52,-9.59945126825431
C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1,C55027387_decoy,HS90A,Decoy,0.0,-9.3433,-6.8,-4.3,-9.722481484176893
O=C(C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1)NC1CCCCCCC1,C55028043_decoy,HS90A,Decoy,0.0,-9.44273,-8.5,-4.12,-6.858726656551845
Cc1ccccc1CCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1,C55031150_decoy,HS90A,Decoy,0.0,-8.5562,-7.12,-1.5,-6.813835045173842
C[C@@H](Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)C(=O)Nc1ccccc1,C56170945_decoy,HS90A,Decoy,0.0,-9.41475,-10.24,-1.17,-11.5249344149423
O=C(C[NH+]1CCC(NC(=O)NCCSc2ccc(Cl)cc2)CC1)Nc1ccccc1,C26283179_decoy,HS90A,Decoy,0.0,-9.19977,-8.25,-1.11,-6.7267374136642735
CC(C)C[C@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1,C29733084_decoy,HS90A,Decoy,0.0,-10.7433,-6.93,-3.39,-7.507657818638734
CC(C)C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1,C29733083_decoy,HS90A,Decoy,0.0,-8.42434,-7.17,-3.55,-6.488123567863736
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1,C57543443_decoy,HS90A,Decoy,0.0,-10.952,-8.98,-3.6,-10.463934192853074
CC[C@H](CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)c1ccccc1,C55031037_decoy,HS90A,Decoy,0.0,-9.44061,-6.4,-1.59,-6.995860990974263
CC(C)[C@@H](NC(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)c1ccccc1,C55031891_decoy,HS90A,Decoy,0.0,-9.30677,-7.49,-2.54,-6.616725054460629
O=C(C[NH+]1CC[C@@H](Nc2ccccc2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1,C60369940_decoy,HS90A,Decoy,0.0,-7.99054,-9.71,-3.16,-7.145834559235835
O=C(C[NH+]1CC[C@H](Nc2ccccc2)C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1,C60369941_decoy,HS90A,Decoy,0.0,-9.15496,-9.25,-2.39,-8.088573658446883
C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)[C@@H]1C[C@@H]2CC[C@H]1C2,C61654769_decoy,HS90A,Decoy,0.0,-8.74912,-8.65,-2.46,-6.646193726913058
O=C(CNC(=O)c1ccc2c(c1)[C@@H](c1ccccc1)ON2)NCCC1=c2ccccc2=[NH+]C1,C63279481_decoy,HS90A,Decoy,0.0,-8.04281,-6.07,-0.84,-5.291438200652487
C=C(C)CNC(=S)NNC1=NC(=O)[C@@H]2C(=[NH+]1)c1ccccc1CC21CCCC1,C63398614_decoy,HS90A,Decoy,0.0,-9.18256,-5.77,-1.0,-5.395362671832159
C[C@H]1[NH+]=c2ccccc2=C1SCC(=O)NNC(=O)Nc1ccc(Cl)cc1,C63598779_decoy,HS90A,Decoy,0.0,-9.96634,-9.15,-0.68,-8.905894812615527
O=C(CNC(=O)NCc1ccccc1)NC[C@H](C1=c2ccccc2=[NH+]C1)c1ccccc1,C64160224_decoy,HS90A,Decoy,0.0,-9.73331,-8.52,-2.43,-8.343615512805776
C=C1C=C([O-])N2C(=NC(NCCC3=c4ccccc4=[NH+]C3)=[NH+][C@H]2[C@@H]2CC=CCC2)N1,C64717677_decoy,HS90A,Decoy,0.0,-7.40123,-6.99,-3.53,-6.072722801525887
COc1cccc(CNC(=O)N2CC[C@]3(C2)NCc2ccccc2N/C3=[NH+]\C(C)(C)C)c1,C65266031_decoy,HS90A,Decoy,0.0,-8.70817,-5.83,-2.23,-5.945912624301271
Cc1cccc(NC(=O)/N=C(/NCCC2=c3ccccc3=[NH+]C2)Nc2nc(C)cc(C)n2)c1,C63479651_decoy,HS90A,Decoy,0.0,-8.85441,-9.41,-3.59,-8.048836411797422
COC(=O)Nc1ccc(NC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)cc1,C65412563_decoy,HS90A,Decoy,0.0,-9.91447,-9.51,-1.02,-8.849363983564958
CCOC(=O)Nc1cccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1C,C65415914_decoy,HS90A,Decoy,0.0,-9.11281,-9.98,-1.92,-9.787779238126522
Cc1ccc(NC(=O)N[C@H](C)Cc2ccco2)cc1NC(=O)C[NH+]1CCCCC1,C65421580_decoy,HS90A,Decoy,0.0,-9.18967,-8.09,-1.54,-13.811529464856871
CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)cc1,C65550119_decoy,HS90A,Decoy,0.0,-8.78613,-6.51,-3.94,-5.853274525286715
NS(=O)(=O)c1cc(NC2CC[NH+](CC3CCCCC3)CC2)cc([N+](=O)[O-])c1,C65946389_decoy,HS90A,Decoy,0.0,-9.60923,-6.7,-1.54,-6.79956947451204
CCC[NH+]1Cc2cccc(NC(=O)[C@@H](NC(=O)Nc3ccccc3)C(C)C)c2C1,C66515221_decoy,HS90A,Decoy,0.0,-9.67191,-9.92,-4.81,-16.076804955189758
CCCNC(=O)C[NH+]1CCC(NC(=O)NC(C)(C)c2ccc(Cl)cc2)CC1,C67390256_decoy,HS90A,Decoy,0.0,-9.59523,-5.62,-1.24,-6.812656874773129
COc1ccccc1C(=O)NNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1,C67481935_decoy,HS90A,Decoy,0.0,-8.45221,-6.99,-3.17,-8.255129428291639
CCCC1=C(C(=O)OCC)[C@]2(C(=O)Nc3ccc(Cl)cc32)C(C#N)=C(N)O1,C00850918_decoy,HS90A,Decoy,0.0,-8.09234,-4.97,-2.84,-5.869892332141086
Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1[N+](=O)[O-],C00673721_decoy,HS90A,Decoy,0.0,-8.95196,-6.84,-0.56,-6.096353350968994
C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1,C00668475_decoy,HS90A,Decoy,0.0,-9.76786,-4.32,-4.46,-5.085422414435527
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1,C00845695_decoy,HS90A,Decoy,0.0,-8.71641,-6.21,-1.03,-5.029138710856447
O=C(CSc1nccc(-c2ccc(F)cc2)n1)Nc1ccc2[nH]c(=O)[nH]c2c1,C04967950_decoy,HS90A,Decoy,0.0,-9.41974,-10.56,-0.83,-8.381398543501652
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1,C04990972_decoy,HS90A,Decoy,0.0,-9.55891,-8.01,-1.52,-9.22067375937119
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1cccc2ccccc12,C01002427_decoy,HS90A,Decoy,0.0,-7.2107,-10.14,-2.62,-7.831954255824428
NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2,C05671419_decoy,HS90A,Decoy,0.0,-8.55885,-5.69,-4.29,-5.057638509681346
O=C(COC(=O)c1ccc2c(c1)CCCC2)Nc1ccc2[nH]c(=O)[nH]c2c1,C07736021_decoy,HS90A,Decoy,0.0,-9.47192,-6.46,-0.64,-5.602792721129931
Cc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2c1C,C08073637_decoy,HS90A,Decoy,0.0,-9.68918,-9.54,0.23,-8.358188592446245
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)C12CC3CC(CC(C3)C1)C2,C03878499_decoy,HS90A,Decoy,0.0,-8.45867,-7.97,-3.23,-7.307983735230868
O=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccc(O)c(F)c1)c1ccc(O)c(F)c1,C15017004_decoy,HS90A,Decoy,0.0,-8.81973,-9.61,-1.82,-11.01818845591203
COc1cccc2c1O[C@@]1(C)NC(=O)N[C@@H]2[C@H]1C(=O)Nc1cccc(Cl)c1,C16448911_decoy,HS90A,Decoy,0.0,-8.38776,-6.02,-0.62,-4.6462212518806645
CC1CCN(c2nc([C@H](C)NC(=O)Cc3c[nH]c4ccccc34)cc(=O)[nH]2)CC1,C19497004_decoy,HS90A,Decoy,0.0,-9.93153,-6.67,-1.4,-7.297525686134823
Cc1cccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1,C19961383_decoy,HS90A,Decoy,0.0,-8.32982,-5.66,-1.79,-5.05381716964692
CSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C(C(N)=O)=C(C)N2,C20413820_decoy,HS90A,Decoy,0.0,-9.28314,-5.44,-0.8,-5.695685549059833
Nn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1n[nH]c2c1CCC2,C28382435_decoy,HS90A,Decoy,0.0,-9.92931,-8.46,-4.17,-7.256757816462326
Cc1cccc(NC(=O)Cc2nnc(NC(=O)Nc3ccccc3C)s2)c1,C17124325_decoy,HS90A,Decoy,0.0,-9.61721,-7.96,-1.81,-6.37381385393422
Nc1c2c(-c3ccccc3)nc(NCc3ccccn3)nc2nn1-c1ccccc1,C35576590_decoy,HS90A,Decoy,0.0,-8.48767,-8.88,-1.26,-6.723500203182343
C[C@H]1CCCC[NH+]1Cc1c(-c2ccc3nc([O-])oc3c2)nc2ccc(N)cn12,C36272496_decoy,HS90A,Decoy,0.0,-8.14097,-10.28,-2.48,-7.891418206598902
CC(C)(C)C1=NN[C@H]2OC(N)=C(C#N)[C@@H]([C@@H]3C=NN=C3c3ccc(F)cc3)[C@@H]12,C39210296_decoy,HS90A,Decoy,0.0,-7.19477,-4.54,-1.78,-4.74551711578895
COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccc(C(=O)OC)cc1,C39327030_decoy,HS90A,Decoy,0.0,-9.52527,-4.43,0.53,-6.620515581414864
CC(C)[C@H](NC(=O)Nc1cccc(N2CCCC2=O)c1)c1nc2ccccc2[nH]1,C43847036_decoy,HS90A,Decoy,0.0,-9.12263,-7.46,-1.64,-8.468225094621047
CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(C)c2)NC(=S)N1,C45326711_decoy,HS90A,Decoy,0.0,-8.46647,-10.27,-1.31,-8.804822305007814
Cc1c(C(=O)NNC(=O)NC[C@@H]2CCN(c3ccccc3)C2)oc2ccccc12,C46958822_decoy,HS90A,Decoy,0.0,-8.67153,-7.88,-0.46,-5.8431366514449135
C[C@H](NC(=O)/C=C\c1cc(Cl)c2c(c1)OCO2)c1ccc2[nH]c(=O)[nH]c2c1,C47535043_decoy,HS90A,Decoy,0.0,-8.49005,-6.97,-0.66,-4.953968291380921
C[C@@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)c1ccc2[nH]c(=O)[nH]c2c1,C47535046_decoy,HS90A,Decoy,0.0,-9.51422,-5.74,-1.83,-5.296929353418318
Cc1cc(C)c(NC(=O)CNC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c(C)c1,C48541904_decoy,HS90A,Decoy,0.0,-7.78939,-9.6,-2.92,-6.625356504470742
C[C@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)/C(N)=N/O,C50441392_decoy,HS90A,Decoy,0.0,-7.42672,-7.32,-1.16,-7.148776121457953
CC1=NC2=NC(NCCc3c[nH]c4ccccc34)=[NH+][C@H](c3ccccc3)N2C([O-])=C1,C20028282_decoy,HS90A,Decoy,0.0,-7.50001,-8.8,-1.4,-8.635856314302204
C=C1C=C([O-])N2C(=NC(NC3CCCCC3)=[NH+][C@@H]2c2ccccc2OC)N1,C19992131_decoy,HS90A,Decoy,0.0,-9.7313,-9.11,-0.44,-8.25660014127619
CC(C)Cc1csc2nc(-c3ccc([C@]4(C)NC(=O)NC4=O)cc3)[nH]c(=O)c12,C55501835_decoy,HS90A,Decoy,0.0,-8.71135,-5.6,-0.82,-5.048127286572977
CNC(=O)c1cccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1C,C55854968_decoy,HS90A,Decoy,0.0,-7.20371,-11.19,-1.19,-13.26702177310647
CC(C)(C)OC(=O)NCC1CCC(C(=O)N=c2[nH]c3ccccc3[nH]2)CC1,C13734030_decoy,HS90A,Decoy,0.0,-9.26274,-7.24,-1.71,-6.450487263917879
O=C(CCNC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)NC1CCCCC1,C57177777_decoy,HS90A,Decoy,0.0,-9.85046,-8.15,-1.38,-9.138016813347251
O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1,C45583220_decoy,HS90A,Decoy,0.0,-9.8842,-12.31,-2.26,-9.30306035419012
CCn1c([C@H](C)NC(=O)Nc2ccc3c(c2)CCC(=O)N3)nc2ccccc21,C62385318_decoy,HS90A,Decoy,0.0,-8.38767,-6.35,-1.36,-5.071093697123716
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccccc1NC(=O)c1ccccc1,C05649912_decoy,HS90A,Decoy,0.0,-8.41461,-10.86,-2.86,-8.305657764261403
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(c2)N[C@@H](C)O3)c1,C64173563_decoy,HS90A,Decoy,0.0,-10.27,-11.06,-0.25,-11.231496682032612
C[C@H]1CN(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC(C)(C)O1,C65690251_decoy,HS90A,Decoy,0.0,-8.98984,-6.98,-1.68,-6.896350412873663
C[C@@H](CC(=O)Nc1ccc2c(c1)NC(=O)CO2)NC(=O)C1CCCCC1,C66273733_decoy,HS90A,Decoy,0.0,-9.35091,-9.77,0.2,-8.555043680867795
NC(=O)[C@H]1CCCN(c2ccc(C(=O)Oc3ccc4c(c3)CCC(=O)N4)cc2)C1,C66510675_decoy,HS90A,Decoy,0.0,-10.5975,-6.57,-4.31,-6.466001310671274
CC(C)CNC(=O)NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1,C66632691_decoy,HS90A,Decoy,0.0,-7.93358,-5.46,-4.22,-5.785078345994874
CC(C)(C)c1nc(CNC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cs1,C66679088_decoy,HS90A,Decoy,0.0,-8.57033,-7.66,-2.08,-6.45890854357507
O=C(NCc1ccccc1N1CCCC1)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66679718_decoy,HS90A,Decoy,0.0,-9.46905,-6.01,-2.13,-5.432907191322106
O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc2cccc([N+](=O)[O-])c2[nH]1,C66930774_decoy,HS90A,Decoy,0.0,-7.72831,-9.46,-2.21,-11.652703060518869
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(O[C@H](C)C#N)cc2)NC(=O)N1,C67029351_decoy,HS90A,Decoy,0.0,-9.13838,-6.6,-1.01,-6.997977802605407
O=C(CC1CCCCC1)NNC(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1,C67103550_decoy,HS90A,Decoy,0.0,-9.28772,-5.32,-1.83,-6.238551931142987
CC(C)(C)n1ncc2c(=O)[nH]c(NC[C@H](O)c3ccc4ccccc4c3)nc21,C67372880_decoy,HS90A,Decoy,0.0,-8.21733,-10.22,-0.5,-8.683336036661723
C[C@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc2c(c1)NC(=O)CO2,C67624107_decoy,HS90A,Decoy,0.0,-8.68614,-7.99,-2.12,-6.916087676514198
NC(=O)c1c(NC(=O)c2ccn(COc3ccccc3F)n2)sc2c1CCCC2,C02786274_decoy,HS90A,Decoy,0.0,-9.32314,-8.94,-1.44,-6.577216079022938
C=CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2sc3c(c2c1=O)CCCC3,C05212642_decoy,HS90A,Decoy,0.0,-10.0563,-7.21,-1.55,-9.064563082536726
C=CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2sc3c(c2c1=O)CCCC3,C05212643_decoy,HS90A,Decoy,0.0,-8.6511,-8.58,-0.87,-8.574906412129195
NC(=O)[C@H]1C[C@H](O)CN1c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12,C06863745_decoy,HS90A,Decoy,0.0,-9.53054,-4.91,-0.96,-5.763061068876993
Cc1cc(C(=O)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1,C08826316_decoy,HS90A,Decoy,0.0,-10.5322,-6.18,-1.89,-6.616497588571389
C[C@H](NC(=O)C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1,C09705780_decoy,HS90A,Decoy,0.0,-8.80301,-6.05,-1.16,-6.012036923718775
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1,C10098284_decoy,HS90A,Decoy,0.0,-9.34527,-7.03,-5.11,-8.041247848110796
Nn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1ccco1,C11670576_decoy,HS90A,Decoy,0.0,-10.1131,-9.72,-1.75,-8.50311649695583
Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1=O,C12146733_decoy,HS90A,Decoy,0.0,-9.50267,-6.05,-1.42,-5.5772190971602855
O=C(Cc1c(-c2cccs2)[nH]c2ccccc12)NN1C(=O)NC2(CCCCC2)C1=O,C12613640_decoy,HS90A,Decoy,0.0,-11.0228,-8.73,-1.66,-9.693263020750866
CCc1cccc2c(C(=O)CN3C(=O)N[C@H](Cc4c[nH]c5ccccc45)C3=O)c[nH]c12,C12846269_decoy,HS90A,Decoy,0.0,-8.79571,-10.16,-1.52,-13.212129867866636
Cc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1C,C14281127_decoy,HS90A,Decoy,0.0,-7.7688,-11.02,-1.77,-10.012494110013211
Cc1ccc(C(=O)N(Cc2ccccc2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)s1,C14383127_decoy,HS90A,Decoy,0.0,-9.47624,-5.97,-4.98,-6.809771772117707
C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1,C14792634_decoy,HS90A,Decoy,0.0,-8.33556,-6.07,-2.14,-5.712293382214764
Cc1ccc(-n2c(SCC(=O)NC(N)=O)nc3sc4c(c3c2=O)CCCC4)cc1,C03572727_decoy,HS90A,Decoy,0.0,-9.61745,-8.47,-0.87,-9.05011231790903
NC(=O)[C@H](Cc1ccccc1)N1CC[C@H]2CN(C(=O)Nc3ccc(F)cc3)CC[C@H]2CC1=O,C15673090_decoy,HS90A,Decoy,0.0,-8.78382,-8.99,-0.98,-9.231299109829235
CCOc1cc(Br)cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1O,C15930085_decoy,HS90A,Decoy,0.0,-8.44321,-9.35,0.03,-8.041160026026862
Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NNC(=O)c2cc3c(s2)CCC3)c1C,C17446280_decoy,HS90A,Decoy,0.0,-10.4164,-10.01,-2.8,-9.366386029272396
Cc1[nH]c2c(C(=O)N[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C(C)C)cccc2c1C,C19576930_decoy,HS90A,Decoy,0.0,-9.19761,-10.24,-1.25,-11.845669654095632
Cc1nn([C@@H](C)C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C)c23)c(C)c1Cl,C19634908_decoy,HS90A,Decoy,0.0,-9.06093,-9.04,-0.97,-10.228691358058404
CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CCC(C(N)=O)CC4)[nH]c(=O)c23)C1,C21882637_decoy,HS90A,Decoy,0.0,-9.88261,-8.45,-2.47,-7.716333557619815
N#Cc1cccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1,C22738240_decoy,HS90A,Decoy,0.0,-8.40411,-5.37,-4.69,-4.711295739952815
CC(C)c1ccc([C@H](NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C(C)C)cc1,C23402557_decoy,HS90A,Decoy,0.0,-9.24848,-8.31,-2.01,-8.282818607827908
Cc1cc(C)c(NC(=O)CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)c(C)c1,C24937118_decoy,HS90A,Decoy,0.0,-9.07016,-9.25,-1.92,-8.999678469400369
Cc1c(C)c2c(c(C)c1OC(=O)c1ccc(N)cc1)C[C@H](CCn1ccc(=O)c(O)c1C)O2,C26972290_decoy,HS90A,Decoy,0.0,-8.80805,-8.97,-1.94,-7.4428697132567745
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,C27008476_decoy,HS90A,Decoy,0.0,-9.30316,-9.99,-2.18,-8.095175635001786
Nc1nc(CSc2nn(-c3ccccc3)c(=S)s2)nc(Nc2ccccc2)n1,C02591901_decoy,HS90A,Decoy,0.0,-9.63006,-9.46,-0.86,-9.07868508818408
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1,C32845275_decoy,HS90A,Decoy,0.0,-9.0815,-5.37,-0.76,-6.582107185598386
N#Cc1c(NC(=O)CSc2nnc(C3CCCCC3)n2N)sc2c1CCCC2,C06599923_decoy,HS90A,Decoy,0.0,-11.3048,-10.37,-1.63,-9.203445127369315
O=C1CCc2cc(S(=O)(=O)N[C@@H](C(=O)Nc3ccccc3)c3ccccc3)ccc2N1,C32932926_decoy,HS90A,Decoy,0.0,-10.1919,-9.72,-1.03,-8.919614564814456
Cc1cc(=O)oc2cc(OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(Cl)cc12,C36259962_decoy,HS90A,Decoy,0.0,-9.39682,-8.97,-1.45,-7.648600295224348
CC(C)[C@H]1NN=C(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)S1,C39252132_decoy,HS90A,Decoy,0.0,-10.1603,-10.27,-2.14,-8.132929052016552
CC[C@H]1C(=O)N(c2ccccc2)[C@@H](SCC(=O)Nc2nc3ccccc3s2)N[C@H]1O,C39272137_decoy,HS90A,Decoy,0.0,-10.0944,-7.2,-2.17,-7.600170207089962
CC[C@H]1C(=O)N(c2ccccc2)[C@@H](SCC(=O)Nc2nc3ccccc3s2)N[C@@H]1O,C39272139_decoy,HS90A,Decoy,0.0,-10.1541,-7.23,-1.23,-7.270357878417602
CC[C@@H]1C(=O)N(c2ccccc2)[C@@H](SCC(=O)Nc2nc3ccccc3s2)N[C@@H]1O,C39272140_decoy,HS90A,Decoy,0.0,-9.01154,-9.92,-2.58,-8.096555874508534
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1,C39737810_decoy,HS90A,Decoy,0.0,-8.82049,-6.7,-2.55,-6.974066433028079
NC(=O)c1c(NC(=O)CN(C(=O)c2ccco2)C2CCCCC2)sc2c1CCCC2,C40010060_decoy,HS90A,Decoy,0.0,-8.53614,-8.19,-2.16,-8.673437430899101
CC[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1sc(C)c(C)c1C(N)=O,C40169849_decoy,HS90A,Decoy,0.0,-9.49906,-7.51,-1.81,-7.164531632523097
CC(=O)NNC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCCCC2,C44452946_decoy,HS90A,Decoy,0.0,-9.52168,-9.5,-1.57,-9.950604935020008
CC(=O)NNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CCCCC2,C44452956_decoy,HS90A,Decoy,0.0,-8.9147,-8.97,-3.75,-7.848039530186841
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(C(=O)N2CCCC2)cc1,C45863264_decoy,HS90A,Decoy,0.0,-10.0934,-10.61,-3.03,-8.290118974082814
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(N2CCCC2=O)c1,C46775880_decoy,HS90A,Decoy,0.0,-9.75882,-9.87,-4.45,-9.303962465595344
CCCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O,C20756821_decoy,HS90A,Decoy,0.0,-9.10606,-6.68,-0.97,-6.45969924379446
CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2Cc2ccc(O)cc2)C(=O)Nc2ccc(Cl)cc21,C35375423_decoy,HS90A,Decoy,0.0,-10.3358,-6.42,-0.63,-7.354520861957763
O=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2,C00918693_decoy,HS90A,Decoy,0.0,-8.49632,-10.65,-1.54,-8.576107423981298
O=C(NC[C@@H]1COc2ccccc2O1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1,C40071262_decoy,HS90A,Decoy,0.0,-8.10663,-9.22,-0.79,-8.194961865601158
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CCC2(CC1)NC(=O)NC2=O,C59875969_decoy,HS90A,Decoy,0.0,-8.34414,-6.68,-1.34,-7.045820545261807
O=C(N/N=C1/C(=O)Nc2ccc(F)cc21)/C(=C/c1ccccc1)NC(=O)c1ccccc1,C15015411_decoy,HS90A,Decoy,0.0,-8.65724,-7.11,-3.51,-8.241025946106587
Cc1cccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)o2)c1,C64981082_decoy,HS90A,Decoy,0.0,-11.4057,-9.57,-0.4,-9.500426447344829
Cc1cc(NC(=O)c2sc3nc(-c4cccnc4)cc(C(F)(F)F)c3c2N)no1,C65365548_decoy,HS90A,Decoy,0.0,-9.95439,-5.69,-5.21,-5.645325966998217
Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4ccccc4C(N)=O)c(C)c3cc12,C06624531_decoy,HS90A,Decoy,0.0,-8.54976,-10.66,-1.41,-8.419696755566696
Cc1c(C#N)c(NC(=O)CSc2nnc(N)s2)n(C2CCCCC2)c1C,C08539947_decoy,HS90A,Decoy,0.0,-8.73233,-6.14,-0.66,-6.784238396589962
Cc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCC(C)C,C09705813_decoy,HS90A,Decoy,0.0,-9.14027,-9.76,-3.69,-10.215529578761476
CC(C)[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NC(N)=O,C12885788_decoy,HS90A,Decoy,0.0,-8.75929,-9.16,-0.99,-11.803017895153111
NC(=O)[C@H]1CC(C(=O)Nc2ccccc2OC(F)F)=NN1c1ccc(F)cc1,C12998638_decoy,HS90A,Decoy,0.0,-6.96877,-10.23,-2.1,-8.863644977764643
CC(C)(CNC(=O)c1ccc(Nc2nc(=O)cn[nH]2)cc1)c1ccccc1F,C19719251_decoy,HS90A,Decoy,0.0,-8.06212,-7.57,-2.93,-5.928481926264869
CCCn1c([O-])c([C@H]2[NH2+]CCc3c2[nH]c2ccccc32)c(=O)n(CCC)c1=O,C20612289_decoy,HS90A,Decoy,0.0,-9.48499,-9.37,-0.88,-9.906912529420982
Nc1nnc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)s1,C22242348_decoy,HS90A,Decoy,0.0,-7.78378,-7.46,-3.79,-9.286237709885034
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1,C25256767_decoy,HS90A,Decoy,0.0,-9.42894,-9.47,-2.61,-8.544545819282964
COc1ccccc1C(=O)NNC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2,C27816997_decoy,HS90A,Decoy,0.0,-9.66522,-7.92,-2.2,-7.0123388757894585
Cc1nc(N)n2c(SCC(=O)NC(C)(C)C)nnc2c1Cc1ccccc1,C35315351_decoy,HS90A,Decoy,0.0,-9.01992,-8.63,-1.2,-8.65343105232777
Cc1ccccc1C(=O)NNC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1,C05165019_decoy,HS90A,Decoy,0.0,-9.00316,-10.13,-3.46,-9.593831691878178
C=CCSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(Cl)cc1,C39363003_decoy,HS90A,Decoy,0.0,-8.43253,-4.95,-1.92,-5.8106077978997615
Cc1c(C(=O)NNC(C)(C)C)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2,C40811983_decoy,HS90A,Decoy,0.0,-10.5392,-8.71,-1.11,-8.536189866430565
COC(=O)[C@H]1O[C@@H](Oc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H](O)[C@@H]1O,C44963631_decoy,HS90A,Decoy,0.0,-8.0842,-6.58,-4.01,-6.314969095413907
O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H](c1ccccc1)c1ccco1,C45156735_decoy,HS90A,Decoy,0.0,-9.55906,-10.36,-2.13,-8.347139012489334
O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)NC2CC2)cc1,C45520895_decoy,HS90A,Decoy,0.0,-10.3923,-10.27,-2.95,-10.859187727573008
CC(C)(C)c1ccc(OCc2nnc(S[C@H]3CCCCNC3=O)n2N)cc1,C45699282_decoy,HS90A,Decoy,0.0,-8.17137,-7.09,-2.28,-5.706893816945287
CCCS(=O)(=O)N1CCC(NC(=O)NNc2cccc(Cl)c2C)CC1,C45740984_decoy,HS90A,Decoy,0.0,-9.48851,-8.33,-3.48,-7.639941244722241
CNC(=O)Nc1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1,C45799948_decoy,HS90A,Decoy,0.0,-10.0554,-7.96,-1.54,-8.08220824533447
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(C)(=O)=O)c1,C46024449_decoy,HS90A,Decoy,0.0,-8.61827,-8.8,-3.49,-8.530870487337896
C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc2[nH]c(=O)[nH]c2c1,C47534581_decoy,HS90A,Decoy,0.0,-8.66801,-9.54,-2.97,-8.002623722074752
CCn1cc(NC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cn1,C48350739_decoy,HS90A,Decoy,0.0,-9.15317,-8.82,-2.55,-7.806231642027157
O=C(CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)Nc1cccc(F)c1,C50638930_decoy,HS90A,Decoy,0.0,-7.71843,-6.79,-2.2,-7.021821425382447
CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)NC2CC2)c1,C56213856_decoy,HS90A,Decoy,0.0,-10.2142,-8.97,0.16,-8.93926303410337
O=C(CCNC(=O)Nc1ccc2oc(C3CC3)nc2c1)NC1CCCCC1,C56601557_decoy,HS90A,Decoy,0.0,-10.1118,-8.45,-2.96,-7.704305100375817
NC(=O)c1cccc(OCC(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)c1,C56931350_decoy,HS90A,Decoy,0.0,-8.54914,-8.35,-1.88,-7.614376736490549
O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(N2CCCS2(=O)=O)c1,C57521958_decoy,HS90A,Decoy,0.0,-7.9907,-6.01,-3.0,-5.2356717049000965
CNC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1,C24379286_decoy,HS90A,Decoy,0.0,-8.30022,-9.06,-1.42,-8.20517387363679
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=S)NNC(=O)CN1C(=O)c2ccccc2C1=O,C08419636_decoy,HS90A,Decoy,0.0,-8.11067,-8.85,-2.04,-7.770824257543201
O=C(Nc1cccc(N2CCNC2=O)c1)c1cccc(NC(=O)c2cccs2)c1,C47235677_decoy,HS90A,Decoy,0.0,-9.13072,-9.55,-2.93,-7.0602408582886005
Cc1cc(C)c(OCC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c(C)c1,C47169397_decoy,HS90A,Decoy,0.0,-8.3973,-10.83,-0.75,-7.440638334321776
CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21,C13552592_decoy,HS90A,Decoy,0.0,-8.4684,-8.66,-1.26,-7.804659157877991
Cc1cc(CNC(=O)NNC(=O)c2ccoc2)ccc1Oc1ccc(F)cc1,C64228974_decoy,HS90A,Decoy,0.0,-10.4647,-9.72,-3.42,-9.222817982805068
CCCCNC(=O)NNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2,C64884176_decoy,HS90A,Decoy,0.0,-8.60504,-8.24,-3.48,-8.299058858257917
O=S(=O)(NC1CCCCCC1)C1=CN=C([C@H]2NN[C@@H](c3ccc(F)cc3)O2)C1,C64924232_decoy,HS90A,Decoy,0.0,-8.64092,-5.56,-2.25,-5.26685798086205
O=S(=O)(NC1CCCCCC1)C1=CN=C([C@H]2NN[C@H](c3ccc(F)cc3)O2)C1,C64924235_decoy,HS90A,Decoy,0.0,-10.393,-5.72,-1.05,-5.849921467492881
O=C(CNC(=O)NCC1CCCC1)Nc1cc(Cl)ccc1-n1cccn1,C50585581_decoy,HS90A,Decoy,0.0,-8.97202,-10.11,-2.59,-8.010579504233371
Cc1nc(-c2cccc(NC(=O)CNC(=O)NCC3CCCC3)c2)oc1C,C50589236_decoy,HS90A,Decoy,0.0,-9.10973,-9.81,-0.5,-8.413392265351726
O=C(NNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)NC1CCCC1,C65832963_decoy,HS90A,Decoy,0.0,-7.73577,-9.44,-0.61,-9.402527087793771
CN(C(=O)c1cccs1)c1ccccc1C(=O)NNC(=O)NC1CCCC1,C65919940_decoy,HS90A,Decoy,0.0,-8.15121,-5.13,-2.4,-6.155750465287896
Cc1ccccc1C(=O)NNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1,C65987620_decoy,HS90A,Decoy,0.0,-8.42907,-5.9,-1.33,-6.842595430280936
CC(C)n1cc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cn1,C66412287_decoy,HS90A,Decoy,0.0,-9.17757,-8.6,-1.22,-9.799230162053137
Cc1ccc(-c2nsc(NC(=O)CCNC(=O)Nc3ccccc3)n2)s1,C66413424_decoy,HS90A,Decoy,0.0,-9.90721,-7.81,-4.54,-6.366029918661712
O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)N(Cc1ccc(O)cc1)CC1CC1,C66679460_decoy,HS90A,Decoy,0.0,-8.85054,-8.22,-3.84,-7.763061362104667
O=C(NCCOc1ccc2c(c1)CCC2)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66679593_decoy,HS90A,Decoy,0.0,-8.74826,-10.13,-1.51,-8.169192226653204
O=C1CCc2cc(NC(=O)N3CCC(NC(=O)CC4CCCC4)CC3)ccc2N1,C66952012_decoy,HS90A,Decoy,0.0,-10.0794,-9.86,-1.83,-8.341744579981897
CC1(C)Oc2ccc(NC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)cc2O1,C67164805_decoy,HS90A,Decoy,0.0,-8.87572,-7.69,-2.47,-7.680573105590877
Cc1noc(CCCNC(=O)NNc2c(Cl)cc(Cl)cc2Cl)n1,C67463988_decoy,HS90A,Decoy,0.0,-8.95211,-7.89,-1.36,-9.969782244112364
Cc1nn(C)c(C)c1[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CCCCC2,C67534992_decoy,HS90A,Decoy,0.0,-7.25121,-8.14,-1.86,-6.1738125050170005
NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2,C00127429_decoy,HS90A,Decoy,0.0,-8.5544,-5.19,0.01,-4.902713968259244
C#CC1(NC(=O)N[C@H](O)C(Cl)(Cl)Cl)CCCCC1,C00159190_decoy,HS90A,Decoy,0.0,-8.55621,-4.03,-0.62,-5.161426241361095
N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1ccccc1,C00063150_decoy,HS90A,Decoy,0.0,-7.93859,-6.71,-0.51,-5.240927174376014
C[C@@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]3CC[C@](O)(C(=O)CO)[C@]3(C)CC[C@@H]12,C04655210_decoy,HS90A,Decoy,0.0,-9.48021,-4.89,-0.74,-4.8725624543608665
C[C@]1(CO)C[C@@H](CO)Nn2c3ccccc3c3cccc1c32,C01721306_decoy,HS90A,Decoy,0.0,-8.9324,-5.49,-0.08,-5.287224294108036
O=C1NC2(CCC(O)CC2)[C@@](O)(c2ccccc2)C12CCCCC2,C01722981_decoy,HS90A,Decoy,0.0,-7.7026,-5.52,-0.52,-4.440487650957952
Cc1cc(C)c(NC(=O)Nc2c[nH]c3ccccc23)c(C)c1,C05299986_decoy,HS90A,Decoy,0.0,-7.01213,-5.27,-1.17,-4.829127493364402
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F,C05945583_decoy,HS90A,Decoy,0.0,-7.94607,-7.28,0.61,-6.04267816947797
Nc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1,C05331568_decoy,HS90A,Decoy,0.0,-8.46148,-8.62,-0.46,-5.419225885322134
Cc1ccc([C@H]2Nc3ccc(S(N)(=O)=O)cc3[C@H]3C=CC[C@H]32)s1,C14456360_decoy,HS90A,Decoy,0.0,-9.00244,-5.39,-1.99,-4.128380293239259
Cc1ccccc1[C@H]1Nc2ccc(S(N)(=O)=O)cc2[C@H]2C=CC[C@@H]21,C14478554_decoy,HS90A,Decoy,0.0,-9.54097,-11.29,-2.26,-9.680106506915893
NC1=N[C@H](c2ccc(Br)cc2)[C@@H](c2ccccc2)C(O)=N1,C16884080_decoy,HS90A,Decoy,0.0,-8.12945,-5.76,-2.58,-5.738589229394755
O=C1Nc2ccccc2C12Nc1cccc3cccc(c13)N2,C16916465_decoy,HS90A,Decoy,0.0,-7.87854,-6.34,-1.1,-2.773799733061141
Cc1cc(N)ccc1NC(=O)CN1CCCc2ccccc21,C19775838_decoy,HS90A,Decoy,0.0,-7.45735,-6.5,-1.11,-5.250413194063061
Cc1cc(=O)[nH]c(Sc2ccc(Br)cc2N)n1,C19845657_decoy,HS90A,Decoy,0.0,-8.57212,-7.22,-0.94,-6.491071197271285
Cc1cc(S(=O)(=O)NC2CCC(C)CC2)cc(N)c1C,C20012123_decoy,HS90A,Decoy,0.0,-7.94109,-7.08,-0.8,-7.474117678342801
C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1F,C20094992_decoy,HS90A,Decoy,0.0,-7.55359,-9.36,-0.56,-6.848837568121328
Cc1ccc(S(=O)(=O)Nc2c(C)ccc(N)c2C)s1,C20254767_decoy,HS90A,Decoy,0.0,-7.21996,-7.03,-0.71,-7.379697551081987
Cc1ccc(NS(=O)(=O)c2cc(N)cc(C)c2C)c(F)c1,C20371062_decoy,HS90A,Decoy,0.0,-7.18546,-7.16,-1.66,-7.01144229632485
Cc1ccc(NS(=O)(=O)c2ccc(F)c(N)c2)c(F)c1,C20371084_decoy,HS90A,Decoy,0.0,-7.32947,-9.26,-0.15,-9.475592009569974
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1N,C21010796_decoy,HS90A,Decoy,0.0,-7.02524,-5.34,-0.59,-3.630731383829962
Cc1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc(N)c1C,C21513900_decoy,HS90A,Decoy,0.0,-7.3595,-5.19,-4.57,-4.47362524063099
Cc1ccc(F)c(NS(=O)(=O)c2ccc(F)cc2N)c1,C34957166_decoy,HS90A,Decoy,0.0,-7.28204,-6.46,-0.82,-5.267562351639335
Nc1cc2c(cc1Oc1cccc(Br)c1)NC(=O)C2,C35345646_decoy,HS90A,Decoy,0.0,-8.23765,-8.39,-0.69,-6.3200885468980745
Cc1ccc(S(=O)(=O)Nc2cccc(N)c2C)cc1F,C36296321_decoy,HS90A,Decoy,0.0,-7.10837,-5.11,-0.99,-3.7982387021730792
Cc1cccc(S(=O)(=O)Nc2c(N)ccc(C)c2C)c1,C36743116_decoy,HS90A,Decoy,0.0,-6.79293,-8.49,-1.68,-7.50804719173657
Cc1ccc(N)c(C)c1NS(=O)(=O)c1ccc(F)c(F)c1,C36961521_decoy,HS90A,Decoy,0.0,-6.95233,-8.73,-3.15,-7.784663132227
Cc1cc(N)cc(S(=O)(=O)Nc2cccc(C)c2C)c1,C37053208_decoy,HS90A,Decoy,0.0,-7.35765,-9.06,-2.54,-7.749673423640797
Cc1ccc(N)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1C,C37062979_decoy,HS90A,Decoy,0.0,-7.6207,-8.48,-0.95,-13.475096188493804
Cc1cc(N)cc(S(=O)(=O)N[C@H]2CCC[C@H](C)C2)c1C,C37254565_decoy,HS90A,Decoy,0.0,-7.3955,-8.66,-1.03,-7.034221511100194
Cc1cc(N)cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)c1C,C37254567_decoy,HS90A,Decoy,0.0,-7.57918,-7.37,-1.22,-9.007616679062762
Nc1cc2c(cc1Oc1ccc(F)cc1Cl)NC(=O)C2,C37902082_decoy,HS90A,Decoy,0.0,-7.84592,-7.66,-0.93,-5.513042939704259
CS(=O)(=O)c1ccc(Nc2cccc(F)c2F)c(N)c1,C40229796_decoy,HS90A,Decoy,0.0,-8.71104,-5.07,-1.53,-4.363076423584482
Cc1nnc(N[C@H]2CCC[C@H](C)[C@@H]2C)c(C(N)=S)c1C,C40290948_decoy,HS90A,Decoy,0.0,-8.32703,-6.18,-1.37,-6.9555305842380255
CC1(NS(=O)(=O)c2cc(N)c(F)cc2F)CCCC1,C42176114_decoy,HS90A,Decoy,0.0,-6.44954,-6.6,0.03,-6.165644984939431
C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(N)c1,C42782164_decoy,HS90A,Decoy,0.0,-6.86653,-7.29,-0.29,-4.411340541132566
Cc1cc([C@H](C)Nc2ncc(Br)cc2N)c(C)o1,C44729826_decoy,HS90A,Decoy,0.0,-7.69271,-6.18,-1.02,-4.718543334105049
O=C(NNc1ccc(F)cc1Br)NC1CC1,C48645423_decoy,HS90A,Decoy,0.0,-7.5738,-6.93,-0.03,-6.471346535348664
C[C@H](O)c1nc2cc(N)ccc2n1C1CCCCCCC1,C53736196_decoy,HS90A,Decoy,0.0,-7.54588,-6.2,-2.31,-6.099723773362935
Nc1cc(-c2cccc(Br)c2)nn1[C@H]1CCCC[C@@H]1O,C54600230_decoy,HS90A,Decoy,0.0,-9.37159,-4.85,-3.2,-4.865975285786444
Nc1cc(-c2ccc(F)cc2)nn1[C@@H]1CCCCC[C@H]1O,C54600649_decoy,HS90A,Decoy,0.0,-7.83405,-4.94,0.27,-5.32344869666996
C[C@H]1CCC[C@H](Sc2nc3c(cc2/C(N)=N/O)CCC3)C1,C54691220_decoy,HS90A,Decoy,0.0,-8.49957,-7.43,-0.97,-8.682630641228323
Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O,C57002715_decoy,HS90A,Decoy,0.0,-7.33775,-7.45,-0.89,-6.462870368226218
Cc1cc2[nH]c(=O)[nH]c2cc1[C@@H](O)c1cccc(Cl)c1,C58117308_decoy,HS90A,Decoy,0.0,-8.34976,-9.09,-2.45,-9.827352710914722
O=C1Nc2c(F)ccc(Cl)c2[C@H]1Nc1ccccc1CO,C42118842_decoy,HS90A,Decoy,0.0,-7.3294,-6.93,-0.57,-6.339668815939294
O=C(Nc1ccc(F)c(F)c1F)N[C@H]1CCCC[C@H]1O,C60370611_decoy,HS90A,Decoy,0.0,-7.86524,-5.35,-0.01,-4.017215813292468
NS(=O)(=O)c1ccccc1N[C@@H]1CCCc2sccc21,C61364201_decoy,HS90A,Decoy,0.0,-9.99792,-7.62,-2.78,-11.301279221506691
Cc1ccc(Cl)cc1C[C@@H]1Oc2cc(N)ccc2NC1=O,C62495281_decoy,HS90A,Decoy,0.0,-7.66012,-10.37,-0.94,-8.796556092042268
O=C(Nc1ccc(F)c(F)c1F)N[C@@H]1c2ccccc2C[C@@H]1O,C58344874_decoy,HS90A,Decoy,0.0,-7.30045,-5.19,-2.34,-4.863758304575396
Cc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1,C65476313_decoy,HS90A,Decoy,0.0,-7.84566,-7.2,-0.02,-7.153657424024221
O=C(NNC1CCCC1)c1cc2ccccc2[nH]1,C04656285_decoy,HS90A,Decoy,0.0,-6.79852,-4.72,0.04,-3.7489001337184105
NC(=O)NN=C1CCC(CC2CCCCC2)CC1,C05179291_decoy,HS90A,Decoy,0.0,-7.89197,-5.35,-0.62,-5.074398491697394
Nc1c(Nc2ccc(F)cc2)c2ccccc2oc1=O,C00267760_decoy,HS90A,Decoy,0.0,-6.46846,-7.7,0.1,-5.521203949172819
O=C1N[C@@H](c2c[nH]c3ccccc23)Nc2ccccc21,C03107865_decoy,HS90A,Decoy,0.0,-7.29297,-8.4,-1.25,-5.807323862900267
Cc1cccc(C)c1NC(=O)Nc1c[nH]c2ccccc12,C05299972_decoy,HS90A,Decoy,0.0,-6.93652,-7.62,-0.6,-5.5945232052578815
O=C(Nc1ccccc1F)N[C@@H]1CNc2ccccc2C1,C19404073_decoy,HS90A,Decoy,0.0,-8.0359,-7.69,-1.26,-6.273256177314913
Nc1ccccc1NC(=O)c1cc2ccccc2o1,C19486238_decoy,HS90A,Decoy,0.0,-7.51906,-7.55,-1.11,-4.927488194743884
CC(C)(C)NC(=O)N[C@H]1CNc2ccccc2C1,C20256977_decoy,HS90A,Decoy,0.0,-7.72596,-4.64,-1.51,-3.984598527524541
CC[C@H]1CCCN(c2cc3c(cc2N)CCC(=O)N3)C1,C36168851_decoy,HS90A,Decoy,0.0,-8.13652,-5.61,-1.81,-3.9584280363865534
CC[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1,C36170273_decoy,HS90A,Decoy,0.0,-7.19209,-8.15,-0.37,-7.830832984636038
Nc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1,C36222659_decoy,HS90A,Decoy,0.0,-7.42306,-7.11,-0.01,-4.5092733737626105
CN(c1cc2c(cc1N)CCC(=O)N2)C1CCCCC1,C36302838_decoy,HS90A,Decoy,0.0,-7.25375,-7.84,-0.8,-5.926847761149957
Cn1cc(N)cc1C(=O)NC12CC3CC(CC(C3)C1)C2,C36861659_decoy,HS90A,Decoy,0.0,-7.4598,-7.34,-1.04,-7.339829900720328
COc1nc(N[C@H]2CCC[C@H](C)[C@H]2C)ccc1N,C37066966_decoy,HS90A,Decoy,0.0,-7.21533,-7.58,-1.37,-7.656719021564319
NC(=O)N1CCC(Nc2ccc3sccc3c2)CC1,C37282577_decoy,HS90A,Decoy,0.0,-7.51524,-4.7,-0.77,-3.729171565155892
Cc1cc(C(N)=S)ccc1Nc1cnn(C)c1,C37733763_decoy,HS90A,Decoy,0.0,-7.74515,-6.39,-0.21,-8.250064157636945
N#Cc1cc(N)cnc1Nc1cccc2c1CCCC2,C37758952_decoy,HS90A,Decoy,0.0,-8.59458,-10.52,-1.11,-12.542212190945191
OC1([C@@]2(O)C[C@H](c3ccccc3)ON2)CCCCC1,C00507580_decoy,HS90A,Decoy,0.0,-9.21957,-6.38,-0.09,-5.788870694596814
O=c1[nH]c2ccc(NCc3ccccc3F)cc2[nH]1,C04413470_decoy,HS90A,Decoy,0.0,-7.34965,-8.69,-0.05,-6.364326716046289
Nc1ccc2c(c1)CCN2C(=O)Nc1cccc(F)c1,C38076197_decoy,HS90A,Decoy,0.0,-7.3268,-6.14,-0.86,-5.32297797123594
O=C(Nc1cccc(F)c1)N[C@H]1CNc2ccccc2C1,C38076426_decoy,HS90A,Decoy,0.0,-6.55779,-4.8,-1.97,-3.656875562665906
Cc1cc(I)cc2c(=O)[nH]c(N)nc12,C21987474_decoy,HS90A,Decoy,0.0,-6.62157,-4.63,-0.13,-2.362069243202595
Cc1cccc(NC(=O)c2cc3cc(N)ccc3o2)c1C,C40293517_decoy,HS90A,Decoy,0.0,-7.44966,-8.19,-0.66,-5.56598494275577
Nc1ccc2oc(C(=O)Nc3ccccc3F)cc2c1,C40294123_decoy,HS90A,Decoy,0.0,-6.98748,-9.89,-1.08,-6.630860956935656
Nc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1,C40455468_decoy,HS90A,Decoy,0.0,-5.89656,-9.92,-0.65,-5.972655935448717
C[C@@H](c1cccc(N)c1)N1CC(=O)Nc2ccccc21,C40908104_decoy,HS90A,Decoy,0.0,-7.16191,-8.92,-1.15,-7.91143261045065
Nc1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)n1,C41390058_decoy,HS90A,Decoy,0.0,-7.5981,-9.21,-0.95,-5.744861718843215
CC[C@@H]1CCCC[C@H]1Nc1ncc(N)cc1C#N,C42577737_decoy,HS90A,Decoy,0.0,-7.80557,-8.48,-0.12,-10.916905586479691
O=c1[nH]c2cc(Br)c(NC3CCC3)cc2[nH]1,C44481605_decoy,HS90A,Decoy,0.0,-6.93172,-6.84,-0.79,-7.600808792094913
Cc1ccc([C@@H](C)Nc2ncc(N)cc2C#N)cc1,C49555290_decoy,HS90A,Decoy,0.0,-7.05086,-9.5,-1.08,-14.194421471153
CC(C)C1=[NH+][C@H](c2ccc3c(c2)CCN3C)C(=[NH2+])N1C,C50998374_decoy,HS90A,Decoy,0.0,-6.37749,-7.22,0.39,-4.033293097063512
NNc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1,C51090961_decoy,HS90A,Decoy,0.0,-7.65519,-5.08,-0.96,-4.436954320447485
NNc1nc(-c2ccc(Cl)cc2)nc2c1CCC2,C51152070_decoy,HS90A,Decoy,0.0,-7.82595,-7.13,-0.8,-4.642689627476941
Cc1cc(NN)nc(-c2cc(Br)cs2)n1,C51168373_decoy,HS90A,Decoy,0.0,-8.80614,-7.49,-0.62,-4.903689121887056
Cc1cc(NN)nc(-c2cc(Cl)cc(Cl)c2)n1,C51168461_decoy,HS90A,Decoy,0.0,-8.40317,-5.32,-0.4,-4.21573153600847
Nc1ccc2c(c1)nc(C(F)(F)F)n2[C@H]1CCCC[C@@H]1O,C52853613_decoy,HS90A,Decoy,0.0,-7.17955,-7.99,-1.59,-6.735615046265335
Nc1cc(-c2ccccc2)nn1[C@@H]1CCCC[C@H]1O,C54600147_decoy,HS90A,Decoy,0.0,-6.97482,-8.03,-1.36,-5.439137340985093
Nc1cc(-c2ccccc2)nn1[C@H]1CCCC[C@H]1O,C54600148_decoy,HS90A,Decoy,0.0,-7.25839,-8.76,-1.2,-8.372260438503428
NNc1nc(-c2ccc(F)cc2F)nc2sccc12,C55266100_decoy,HS90A,Decoy,0.0,-7.4897,-7.52,-0.72,-4.477599259356563
Nc1ccc(-c2cc(=O)[nH]c(-c3ccc(F)cc3)n2)cc1,C58057333_decoy,HS90A,Decoy,0.0,-7.52367,-9.05,-0.04,-6.587905906012728
CC(C)C[C@@H](O)c1cc2[nH]c(=O)[nH]c2cc1Cl,C58118138_decoy,HS90A,Decoy,0.0,-6.90098,-7.11,-0.79,-5.813655902886588
CC(C)(C)N1C(=[NH2+])[C@H](c2cccnc2)[NH+]=C1C1CC1,C60280497_decoy,HS90A,Decoy,0.0,-7.7254,-7.1,-0.89,-7.983195725340257
CC(C)(C)c1cc(NN)nc(-c2ccsc2)n1,C51152858_decoy,HS90A,Decoy,0.0,-8.0308,-6.13,-0.72,-5.949999407502202
Cc1cc(NN)nc(C23CC4CC(CC(C4)C2)C3)n1,C55270761_decoy,HS90A,Decoy,0.0,-7.76077,-7.73,-1.44,-12.105833960517204
Cc1cccc(-c2nc(C)c(C(C)C)c(NN)n2)c1,C61688983_decoy,HS90A,Decoy,0.0,-7.24716,-7.72,-0.87,-4.742371675314883
NNc1nc2c(c(C(F)(F)F)n1)CCCCC2,C62203218_decoy,HS90A,Decoy,0.0,-6.43988,-6.49,-0.82,-5.413428552817342
Nc1nc(-c2c[nH]c3ccc(Br)cc23)co1,C62424798_decoy,HS90A,Decoy,0.0,-7.42185,-7.94,0.09,-6.32314202658833
Cc1cccc(C[C@H]2Oc3cc(N)ccc3NC2=O)c1,C62495306_decoy,HS90A,Decoy,0.0,-7.60179,-10.39,-0.87,-8.820874342489335
Nc1ccc(F)cc1NC(=O)c1cc2ccccc2o1,C63202092_decoy,HS90A,Decoy,0.0,-7.68567,-7.23,-0.79,-5.706592616759847
Nc1ccccc1OCc1n[nH]c2c1CCCC2,C66140046_decoy,HS90A,Decoy,0.0,-6.72797,-6.7,-0.64,-4.459355623252996
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2,C02755710_decoy,HS90A,Decoy,0.0,-8.43613,-4.91,-2.24,-5.543245868689594
O=C(N/N=C\c1cc([N+](=O)[O-])cc(Br)c1[O-])[C@@H]1CC1(c1ccccc1)c1ccccc1,C08386050_decoy,HS90A,Decoy,0.0,-7.22425,-7.9,-1.36,-7.171475459564463
O=C([O-])COc1ccc(Br)cc1/C=C1\S/C(=N\c2ccc(Cl)cc2)NC1=O,C02086588_decoy,HS90A,Decoy,0.0,-9.01217,-5.53,-0.81,-5.427863197258695
O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1ccc(-c2ccccc2C(=O)[O-])o1,C08445232_decoy,HS90A,Decoy,0.0,-8.94772,-9.35,-3.3,-8.791774563545422
O=[N+]([O-])c1cc(Br)cc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1[O-],C08846731_decoy,HS90A,Decoy,0.0,-8.24528,-7.53,-0.81,-8.719807105448226
CC(C)(C)c1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc(C(C)(C)C)c1O,C09426242_decoy,HS90A,Decoy,0.0,-9.46955,-7.93,-2.4,-12.057200240408877
O=C([O-])c1ccc(-c2ccc([C@@H]3Nc4ccccc4C(c4ccccc4)(c4ccccc4)O3)o2)cc1,C12376055_decoy,HS90A,Decoy,0.0,-8.66171,-6.84,-3.53,-5.842638841215961
O=C([O-])c1cc(Cl)cc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]21,C12428671_decoy,HS90A,Decoy,0.0,-7.02553,-8.72,-0.98,-7.975271148507053
CC(C)C/C=C\[C@@H](C(=O)[O-])C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)C1,C13408890_decoy,HS90A,Decoy,0.0,-8.98901,-6.8,-2.55,-8.046804871113446
Cc1ccc2oc(C(=O)Nc3ccc(I)cc3C(=O)[O-])c(C)c2c1,C13438283_decoy,HS90A,Decoy,0.0,-7.88059,-6.34,-0.93,-4.813790022338828
CCOC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1,C13460447_decoy,HS90A,Decoy,0.0,-8.42771,-9.37,-2.12,-8.560095417084078
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(=O)[O-])cc2)NC(=S)N1c1cc(C)cc(C)c1,C13460558_decoy,HS90A,Decoy,0.0,-8.69791,-7.34,-2.19,-8.3913248096109
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(=O)[O-])cc2)NC(=S)N1c1ccc(C)c(F)c1,C13460719_decoy,HS90A,Decoy,0.0,-8.06861,-9.65,-1.21,-8.2404806560371
Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccccc3)C=C[C@H]2c2ccccc2)c1C,C15800073_decoy,HS90A,Decoy,0.0,-7.91815,-6.01,-1.87,-5.914366819096757
CCc1ccccc1Nc1cnn(C23C[C@@H]4C[C@@H](CC(CC(=O)[O-])(C4)C2)C3)c(=O)c1Cl,C16162501_decoy,HS90A,Decoy,0.0,-8.67644,-7.55,-2.42,-6.597755344994236
CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccc(O)cc1C(=O)[O-],C16927840_decoy,HS90A,Decoy,0.0,-10.7523,-9.37,-1.1,-8.67166791608312
Cc1ccc(NC2=C(CC(=O)[O-])[C@@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1,C04719456_decoy,HS90A,Decoy,0.0,-7.79471,-8.11,-1.74,-7.820542394941111
O=c1oc2ccccc2c([O-])c1[C@@H](C[C@@H](O)c1ccc(-c2ccccc2)cc1)c1ccccc1,C04012879_decoy,HS90A,Decoy,0.0,-9.22834,-7.29,-2.45,-6.81039587264377
O=C(C(=C([O-])c1ccccc1)[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O)c1ccccc1,C18068548_decoy,HS90A,Decoy,0.0,-8.5161,-9.56,-2.03,-9.015234300388624
CCCc1cc([O-])nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)n1,C22242783_decoy,HS90A,Decoy,0.0,-7.27979,-9.24,-1.98,-7.851342760550221
O=C1C(C2=C[C@@H](c3ccccc3)[C@H](c3c[nH]c4ccccc34)N=N2)=C([O-])c2ccccc21,C22341150_decoy,HS90A,Decoy,0.0,-9.1275,-10.87,-2.23,-8.582220596139758
Cc1ccc(C)c(NC(=O)C([O-])=C2C(=O)C3=C(CC2(C)C)Nc2ccccc2S3)c1,C01631968_decoy,HS90A,Decoy,0.0,-9.98365,-7.9,-3.79,-7.083707262001308
Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cccc(C)c3)C[C@@H]2C)c1,C32971180_decoy,HS90A,Decoy,0.0,-8.4638,-6.28,-1.27,-6.029105362206333
C[C@]1(O)CC([O-])=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1,C12384352_decoy,HS90A,Decoy,0.0,-9.36981,-5.1,-3.99,-6.130136854019606
C=C(C)[C@@H]1CC[C@]2(C(=O)[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,C35457267_decoy,HS90A,Decoy,0.0,-9.10238,-5.71,-2.28,-5.551390733888836
C=C(C)[C@@H]1CC[C@@]2(C(=O)[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,C35566916_decoy,HS90A,Decoy,0.0,-8.39187,-7.06,-1.33,-6.4892477088272384
CC(=O)[C@@H]1CC[C@]2(C(=O)[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,C35456366_decoy,HS90A,Decoy,0.0,-8.22455,-5.48,-2.29,-5.010999978258769
C=CCc1cccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)c1O,C13739557_decoy,HS90A,Decoy,0.0,-8.52483,-5.87,-2.16,-6.126542851709371
Cc1cc(Br)ccc1/N=C(\[S-])N/[NH+]=C/c1cc(Cl)cc(Cl)c1[O-],C01041759_decoy,HS90A,Decoy,0.0,-8.50038,-7.81,-1.46,-6.201256747111301
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1-c1cc(-c2ccccc2)nc([S-])n1,C08935128_decoy,HS90A,Decoy,0.0,-10.8154,-10.4,-0.94,-9.343295226983454
O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cccc(C(F)(F)F)c4)c(Cl)c1=O)(C3)C2,C16399456_decoy,HS90A,Decoy,0.0,-7.60103,-8.49,-2.97,-9.446516791636556
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)/N=c1/[nH]c(C23CC4CC(CC(C4)C2)C3)cs1,C13030530_decoy,HS90A,Decoy,0.0,-7.49407,-5.81,-4.82,-5.300308520729018
Cc1ccc(C)c([N-]C2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)c1,C39556022_decoy,HS90A,Decoy,0.0,-9.34404,-7.31,-0.83,-6.800614729090516
CCc1ccc(N2C([S-])=C(C#N)C(=O)N[C@@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1,C39887242_decoy,HS90A,Decoy,0.0,-9.36369,-7.57,-1.44,-7.186874414100298
Cc1ccc(C)c(N2C([S-])=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)c1,C39887471_decoy,HS90A,Decoy,0.0,-9.24956,-8.28,-2.31,-7.411630387400082
Cc1ccc(N2C([S-])=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1,C39887515_decoy,HS90A,Decoy,0.0,-7.57702,-8.06,-2.62,-4.758374520313408
CC(C)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)[O-])[C@@H]2C[C@@H]1[C@@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@@H]13,C43737046_decoy,HS90A,Decoy,0.0,-9.02598,-5.76,-1.92,-5.708370009267783
Cc1cccc(C)c1Nc1nnc(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c23)s1,C13415834_decoy,HS90A,Decoy,0.0,-9.69924,-7.79,-3.45,-7.670029654895858
C=CCn1c([S-])nnc1-c1s/c(=N/C(=O)c2csc(-c3ccc(Cl)cc3)n2)[nH]c1C,C22972849_decoy,HS90A,Decoy,0.0,-9.81748,-6.41,-1.22,-7.12793584050064
CC(C)Cn1c([S-])nnc1-c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2,C02790970_decoy,HS90A,Decoy,0.0,-8.44593,-4.93,-2.77,-5.306999303686616
CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(-c4nnc([S-])n4Cc4ccccc4)cc3N2)cc1,C02791417_decoy,HS90A,Decoy,0.0,-7.79305,-7.8,-4.17,-6.9486128940566045
O=c1[nH]c2c(sc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c32)c([O-])c1Br,C13401807_decoy,HS90A,Decoy,0.0,-10.2491,-6.05,-1.04,-6.518179160260381
CCCN1CC2=C(NC([S-])=N[C@@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1,C55028194_decoy,HS90A,Decoy,0.0,-9.6419,-11.81,0.04,-11.981278410894696
C=CCOc1c(Br)cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1OC,C09408815_decoy,HS90A,Decoy,0.0,-10.1067,-8.13,-3.15,-11.21702292687651
O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccccc3Nc3ccccc3)C2=O)cc1,C59397650_decoy,HS90A,Decoy,0.0,-9.49772,-10.04,-3.03,-9.324479071119836
Cc1ccccc1CSc1nc([O-])c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1,C09608875_decoy,HS90A,Decoy,0.0,-7.93001,-7.44,-2.07,-4.8560513239149286
[O-]C(/C=C/c1ccccc1)=N\C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccccc2)N1,C02359879_decoy,HS90A,Decoy,0.0,-9.17466,-5.8,-3.18,-5.44481527440303
CC1(C)CC2=NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C([O-])C1,C09331119_decoy,HS90A,Decoy,0.0,-9.87091,-10.39,-1.77,-11.623600643929183
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC([O-])=C32)cc1,C01142394_decoy,HS90A,Decoy,0.0,-8.88396,-5.75,-0.67,-5.666246863245712
O=C(Nc1ccc(N2Cc3ccccc3O[C@@H](c3ccccc3F)C2)c(C(=O)[O-])c1)c1cccs1,C35451042_decoy,HS90A,Decoy,0.0,-9.79351,-6.18,-2.11,-5.187338375059351
O=C([O-])c1cc(-c2ccc3c(c2)Nc2ccccc2S3)nc2ccc(F)cc12,C01617185_decoy,HS90A,Decoy,0.0,-6.90266,-7.23,-1.33,-4.51174940864891
N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCC2,C02747586_decoy,HS90A,Decoy,0.0,-7.08329,-7.3,-3.12,-4.777778409859867
O=C([O-])c1ccc([C@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]23)cc1,C12628294_decoy,HS90A,Decoy,0.0,-7.98457,-6.14,-1.48,-4.789047687064822
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)SCc1ccc(C(=O)[O-])cc1,C12778941_decoy,HS90A,Decoy,0.0,-8.43766,-8.39,-4.0,-7.807401744581576
O=C([O-])c1cc(Br)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2,C13177591_decoy,HS90A,Decoy,0.0,-7.51008,-5.11,-0.9,-3.86695880031042
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)cc1C(=O)[O-],C13177824_decoy,HS90A,Decoy,0.0,-6.51192,-9.46,-1.65,-5.495870663575011
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C,C13409145_decoy,HS90A,Decoy,0.0,-8.23533,-5.48,-2.25,-4.552599348851923
Cc1ccc2oc(C(=O)Nc3cc4ccccc4cc3C(=O)[O-])c(C)c2c1,C13426542_decoy,HS90A,Decoy,0.0,-6.50546,-9.66,0.26,-8.065185104856182
CCCSc1nc([O-])c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1,C05081232_decoy,HS90A,Decoy,0.0,-8.26394,-5.47,-1.08,-5.5300069563394185
O=C1N=C([N-]c2ccccc2)S/C1=C1\C(=O)Nc2ccc(Br)cc21,C05772434_decoy,HS90A,Decoy,0.0,-9.62103,-7.58,-0.34,-6.275850094784042
CC(C)c1ccc([C@H]2NC(=O)C([O-])=C2C(=O)c2ccc(Br)cc2)cc1,C06159913_decoy,HS90A,Decoy,0.0,-7.63295,-5.9,-2.05,-5.030840029613236
C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)[O-])C1,C20333662_decoy,HS90A,Decoy,0.0,-9.24102,-5.51,-1.09,-5.764191884996264
O=c1cc([O-])c2sc3nc(-c4ccc(F)cc4)cc(-c4cccs4)c3c2[nH]1,C05491282_decoy,HS90A,Decoy,0.0,-9.00166,-8.02,-3.16,-7.655738329266919
C[C@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@](O)(CCC(=O)[O-])[C@]3(C)CC[C@@H]12,C22058294_decoy,HS90A,Decoy,0.0,-8.89834,-5.85,-3.0,-4.547650606888442
Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1C,C27644821_decoy,HS90A,Decoy,0.0,-8.85634,-9.87,-1.74,-8.922819906059477
O=C1C=CC(Br)=C/C1=C\Nn1c([S-])nnc1-c1cccc(Cl)c1,C01885926_decoy,HS90A,Decoy,0.0,-9.85215,-8.7,-1.65,-7.416195518753971
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@H]3[C@@H]4CC[C@H]5C/C(=N/O)CC[C@@H]5[C@@H]4CC[C@H]3[C@@H]12,C34766492_decoy,HS90A,Decoy,0.0,-8.74391,-5.82,-1.92,-5.273910015657659
O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1,C34776558_decoy,HS90A,Decoy,0.0,-7.79803,-5.91,-1.16,-5.04577491407115
CC(=O)[C@@H]1C[C@H](O)C[C@@H]2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@H]34)[C@]21C,C35051174_decoy,HS90A,Decoy,0.0,-9.76564,-5.41,-3.36,-6.342539857399032
O=C([O-])[C@H](Nc1ccccc1Br)c1ccc(Br)cc1,C37959869_decoy,HS90A,Decoy,0.0,-7.42344,-7.62,-0.1,-7.134814107281964
CC(C)[C@@](Nc1ccccc1Br)(C(=O)[O-])c1ccccc1,C37959933_decoy,HS90A,Decoy,0.0,-5.67097,-5.32,-1.98,-3.662800700071675
Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3cccc(O)c3)C2)c(=O)o1,C08934340_decoy,HS90A,Decoy,0.0,-8.9653,-6.28,-1.56,-4.329660837297097
O=C1N=C([N-]c2ccc(Br)cc2)S/C1=C1/C(=O)Nc2ccccc21,C33937932_decoy,HS90A,Decoy,0.0,-9.93728,-7.27,-0.68,-6.16515095170121
O=C1N=C([N-]c2ccccc2C(F)(F)F)S/C1=C/[C@H]1CNc2ccccc21,C39984763_decoy,HS90A,Decoy,0.0,-7.7489,-9.47,-2.35,-6.5504526162567815
CCc1ccccc1N1C([S-])=C(C#N)C(=O)N[C@H]1c1cccc2ccccc12,C40147941_decoy,HS90A,Decoy,0.0,-8.45581,-9.66,-0.99,-18.590353144315323
COc1ccccc1N1C([S-])=C(C#N)C(=O)N[C@@H]1c1c2ccccc2cc2ccccc12,C40147968_decoy,HS90A,Decoy,0.0,-8.328,-5.88,-0.98,-5.417770959771361
O=C([O-])[C@@H](Nc1ccccc1Br)c1cc(Br)cs1,C41678077_decoy,HS90A,Decoy,0.0,-8.12219,-7.65,-0.94,-11.247471058880237
Cc1ccc(N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c(C)c1,C41732742_decoy,HS90A,Decoy,0.0,-7.96303,-6.57,-1.97,-6.860240464385674
C[C@](Nc1cc(F)ccc1F)(C(=O)[O-])c1cccc(Br)c1,C41753252_decoy,HS90A,Decoy,0.0,-6.94611,-7.99,-1.24,-7.446956251443998
C[C@@](Nc1cc(F)ccc1F)(C(=O)[O-])c1cccc(Br)c1,C41753253_decoy,HS90A,Decoy,0.0,-7.39286,-7.07,-1.44,-11.31204520368893
C[C@@](Nc1ccc(F)cc1Br)(C(=O)[O-])c1cccc(F)c1,C41767825_decoy,HS90A,Decoy,0.0,-6.3725,-7.81,-0.79,-7.214498130447398
C[C@@](Nc1ccccc1I)(C(=O)[O-])c1ccc(F)cc1,C41770201_decoy,HS90A,Decoy,0.0,-6.60245,-6.99,-0.85,-7.111929003243565
C[C@](Nc1ccccc1I)(C(=O)[O-])c1ccccc1,C41790248_decoy,HS90A,Decoy,0.0,-5.87847,-7.27,-5.35,-6.989787282000879
Cc1ccccc1[C@](C)(Nc1ccccc1I)C(=O)[O-],C41790279_decoy,HS90A,Decoy,0.0,-6.96165,-4.52,-1.2,-4.623149780996825
C[C@](Nc1ccccc1I)(C(=O)[O-])c1ccccc1F,C41790324_decoy,HS90A,Decoy,0.0,-7.54114,-6.64,-0.87,-7.917640606434484
CSc1ccc([C@](C)(Nc2ccccc2I)C(=O)[O-])cc1,C41790403_decoy,HS90A,Decoy,0.0,-8.11823,-7.38,-1.77,-7.741612251723299
O=C([O-])[C@@]1(Nc2ccccc2I)CCCc2ccccc21,C41790422_decoy,HS90A,Decoy,0.0,-6.064,-7.06,-0.99,-6.3936711283846215
Cc1ccc(Br)cc1N[C@@](C)(C(=O)[O-])c1cccc(Br)c1,C41806433_decoy,HS90A,Decoy,0.0,-7.44601,-5.13,-2.6,-4.619022750946499
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]21C,C43726823_decoy,HS90A,Decoy,0.0,-8.64105,-6.28,-2.36,-6.377232351482696
O=C1C[C@H](c2ccc(C(=O)[O-])cc2)c2scc(-c3cccc(F)c3)c2N1,C46076993_decoy,HS90A,Decoy,0.0,-8.32384,-4.61,0.29,-4.686334948296816
N#C/C(C(=O)NC1CCCC1)=C(/[O-])c1ccccc1I,C48554941_decoy,HS90A,Decoy,0.0,-6.77225,-6.91,-0.8,-10.112330695252
Cc1ccc(/C=C/C([O-])=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1,C51402990_decoy,HS90A,Decoy,0.0,-7.78934,-9.49,-1.61,-8.457984065968727
Cc1nc([S-])sc1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2,C53574317_decoy,HS90A,Decoy,0.0,-9.80443,-6.73,-1.25,-7.707209558367863
O=C([O-])c1ccc([C@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1,C58929482_decoy,HS90A,Decoy,0.0,-9.43242,-5.43,-2.61,-5.013470303124841
O=C(Nc1cc(F)c(F)cc1C(=O)[O-])c1cc(Br)c(Br)s1,C61563715_decoy,HS90A,Decoy,0.0,-8.91814,-6.21,-0.77,-6.058772425398264
C[C@@H]1C[C@@H](C)CN(C(=O)Nc2c(Br)cccc2C(=O)[O-])C1,C62827083_decoy,HS90A,Decoy,0.0,-6.65925,-6.79,-1.61,-6.402691651023744
Cc1nc([S-])sc1CC(=O)N1CCC(Nc2ccc(F)cc2)CC1,C63584400_decoy,HS90A,Decoy,0.0,-9.95219,-8.22,-2.18,-6.980890083635451
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccs2)C2=C([O-])CCCC2=N1,C00690040_decoy,HS90A,Decoy,0.0,-8.2118,-9.0,-0.74,-7.825892031614873
N#Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1,C64795446_decoy,HS90A,Decoy,0.0,-8.2325,-5.24,-1.94,-5.005717992503661
Cc1ccc2nc(C)c(/C([O-])=C(/C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2c1,C66004870_decoy,HS90A,Decoy,0.0,-8.7298,-5.65,-0.47,-5.675830464979806
Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc4ccccc4cc32)cc1,C04089801_decoy,HS90A,Decoy,0.0,-7.66476,-11.19,0.1,-9.608294827000822
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccsc2)[C@@H]1c1ccsc1,C01032120_decoy,HS90A,Decoy,0.0,-10.5104,-4.93,-0.83,-5.39117693455105
Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2,C04051983_decoy,HS90A,Decoy,0.0,-9.56633,-5.24,-0.2,-4.920832970575921
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cc1,C00584773_decoy,HS90A,Decoy,0.0,-8.57446,-9.28,-1.15,-7.54208100957333
O=C1NC2=C(CCc3ccccc32)[C@H](c2ccc(Cl)cc2)N1,C01407528_decoy,HS90A,Decoy,0.0,-8.14501,-5.11,0.48,-4.3034100927053
C[C@]12CC=C3C=CNN3[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O,C06067681_decoy,HS90A,Decoy,0.0,-8.3904,-7.13,-0.84,-4.925722986697005
O[C@]12CCCC[C@@H]1C1(CCCCC1)O[C@]1(O)CCCC[C@H]21,C12436942_decoy,HS90A,Decoy,0.0,-7.62574,-5.01,-0.77,-3.638951337573338
Cc1n[nH]c2c1[C@@]1(C)CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C2,C12653430_decoy,HS90A,Decoy,0.0,-8.65477,-5.32,-0.76,-3.0274595721048585
CC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c(C)cc(C)cc1C)N2,C14457570_decoy,HS90A,Decoy,0.0,-8.6935,-5.29,-2.14,-4.995845996572103
COc1cccc2c1N[C@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21,C14544836_decoy,HS90A,Decoy,0.0,-7.75651,-6.13,-1.24,-4.195948006257766
COc1cccc2c1N[C@@H](c1c[nH]c3ccccc13)[C@@H]1CC=C[C@H]21,C14544837_decoy,HS90A,Decoy,0.0,-8.03462,-10.78,-0.38,-8.281471253663668
N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCCC2,C16492373_decoy,HS90A,Decoy,0.0,-7.85602,-6.35,-1.06,-4.910679555875776
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(Cl)cc1,C00756502_decoy,HS90A,Decoy,0.0,-8.44137,-5.48,-0.31,-4.4752339104071845
CC(C)(C)c1ccc(C(=O)N2CCCc3ccc(N)cc32)cc1,C20182760_decoy,HS90A,Decoy,0.0,-7.62966,-5.92,-1.16,-4.696617420034407
CSc1nc(N)c(-c2ccccc2)c(C(F)(F)F)n1,C20272847_decoy,HS90A,Decoy,0.0,-5.90771,-6.55,-2.56,-5.547176759000789
Cc1c(C)c(C)c(C(=O)c2oc3ccccc3c2N)c(C)c1C,C22154307_decoy,HS90A,Decoy,0.0,-8.07704,-10.6,-3.59,-7.962732743723307
Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)[C@@H]1CC=CCC1)CC3,C22327636_decoy,HS90A,Decoy,0.0,-9.50362,-4.85,-0.68,-4.679431542830131
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)C1CCC(C)CC1)CC3,C22329434_decoy,HS90A,Decoy,0.0,-8.53733,-5.86,-1.12,-5.169760221274546
Nc1c2ccccc2nc(=S)n1-c1ccc2ccccc2c1,C03851022_decoy,HS90A,Decoy,0.0,-8.33145,-8.91,-0.89,-6.151734847533145
O=C1N[C@@H](/C=C/c2ccccc2)Nc2sc3c(c21)CCCC3,C00565644_decoy,HS90A,Decoy,0.0,-8.38156,-6.51,-1.18,-5.06756029536224
O=C1NC2=C(CCC/C2=C/c2ccccc2)[C@@H](c2ccccc2)N1,C32689273_decoy,HS90A,Decoy,0.0,-6.5197,-5.16,0.15,-4.093459251105892
Cc1nc2cc(O[C@@H]3C[C@@H](C)CC(C)(C)C3)c(N)cc2s1,C35342958_decoy,HS90A,Decoy,0.0,-8.99253,-7.42,-0.72,-7.745555566209274
CC1=C(c2nc3ccccc3s2)C(=[NH2+])N(C2CCCCC2)[C@H]1C,C35686398_decoy,HS90A,Decoy,0.0,-8.83929,-5.38,-0.88,-4.78223955471934
Cc1n[nH]c(C)c1N[C@@H](C)c1sc2ccccc2c1C,C37261683_decoy,HS90A,Decoy,0.0,-7.41166,-8.78,-0.81,-7.710504103273681
C[C@@H](Nc1ccc2c(c1)NC(=O)CS2)C1CCCCC1,C37302783_decoy,HS90A,Decoy,0.0,-8.68817,-8.13,-0.4,-6.857277949450811
Cc1cc(-c2nc3cc(Br)ccc3n2C2CC2)ccc1N,C37441844_decoy,HS90A,Decoy,0.0,-9.01192,-7.2,-1.79,-7.57192669094929
Cn1c(-c2ccc(Br)cc2N)nc2cc(F)ccc21,C37742623_decoy,HS90A,Decoy,0.0,-8.04477,-5.13,-1.43,-3.110033490042679
CC(C)c1ccc([C@@H]2NC(=S)NC3=C2C(=O)CCC3)cc1,C02601613_decoy,HS90A,Decoy,0.0,-9.48029,-9.14,0.0,-14.466737563397498
Brc1ccc2c(c1)CC[C@H]2Nc1cccc2cn[nH]c12,C40227238_decoy,HS90A,Decoy,0.0,-8.25471,-9.03,-0.46,-7.089062081786597
O=c1[nH]c2ccc([C@H](Cl)c3cc(Cl)ccc3F)cc2[nH]1,C40270278_decoy,HS90A,Decoy,0.0,-8.18902,-8.75,-2.14,-6.747089738816242
Nc1ccsc1C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1,C40330673_decoy,HS90A,Decoy,0.0,-9.42008,-4.87,-1.34,-6.045773022032971
Cc1cc(Br)ccc1-n1nc(C(C)(C)C)cc1N,C41541328_decoy,HS90A,Decoy,0.0,-7.22334,-6.91,-0.25,-6.809125294133172
Cc1ccc(Oc2nc3c(cc2C(N)=S)CCC3)cc1,C43409147_decoy,HS90A,Decoy,0.0,-8.39718,-5.99,-1.11,-5.5008454908630044
O=C(NC[C@@H]1CC=CCC1)c1cc2ccc(Cl)cc2[nH]1,C49278172_decoy,HS90A,Decoy,0.0,-7.63838,-8.12,-0.75,-5.917883398273148
C[C@H](c1ccc(Br)cc1)n1c(N)nc2cc(Cl)ccc21,C49526489_decoy,HS90A,Decoy,0.0,-7.64144,-7.32,-0.34,-4.7111004267452605
OC1=N[C@H](c2ccc(F)cc2)Nc2scc(-c3ccccc3)c21,C04571807_decoy,HS90A,Decoy,0.0,-8.16599,-8.03,-0.77,-4.789452828962629
Nc1nc(Cc2ccc(Br)cc2)nc2c1CCCC2,C50846796_decoy,HS90A,Decoy,0.0,-8.69913,-7.0,-0.21,-4.640437488846846
O=c1[nH]c2cc(Br)c([C@@H](Cl)C3CCCC3)cc2[nH]1,C52095104_decoy,HS90A,Decoy,0.0,-7.99432,-6.77,-0.94,-7.940828844273543
CC1(n2c(C(F)(F)F)nc3cc(N)ccc32)CCCCC1,C52854389_decoy,HS90A,Decoy,0.0,-6.23292,-8.26,-0.04,-8.085156739880212
C/C(=N/O)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C04532102_decoy,HS90A,Decoy,0.0,-8.98514,-7.87,-1.33,-6.035518334741013
Cc1nc(N)sc1-c1nc2cc(C(F)(F)F)ccc2s1,C55176370_decoy,HS90A,Decoy,0.0,-7.58209,-6.86,-0.55,-5.546826412485831
O=C1N[C@@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3,C02603824_decoy,HS90A,Decoy,0.0,-9.3133,-6.17,-0.57,-3.734286937017089
Cc1ccc(C)c(N[C@H]2C(=O)Nc3c(Br)cccc32)c1,C42080254_decoy,HS90A,Decoy,0.0,-8.23796,-9.38,-0.58,-7.944513156034267
CC(C)c1cccc(N[C@H]2C(=O)Nc3ccc(F)cc32)c1,C20136599_decoy,HS90A,Decoy,0.0,-8.12206,-9.25,-0.66,-8.487969787321681
Cc1nn([C@@H](C)C2CCCCC2)c(N)c1I,C43669329_decoy,HS90A,Decoy,0.0,-8.12268,-7.25,-0.63,-7.656123873552195
C[C@H](NC(=O)c1ccc2c(c1)CCCN2)C1CCCCC1,C52342520_decoy,HS90A,Decoy,0.0,-7.98612,-8.57,-1.16,-7.883841955411944
Cc1ccc(N2N[C@@](C)(c3cccs3)NC2=S)cc1,C08683623_decoy,HS90A,Decoy,0.0,,,,
Cc1ccc(N2N[C@@](C)(c3cccs3)NC2=S)cc1,C08683623_decoy,HS90A,Decoy,0.0,,,,
Cc1cc(C)c(N)c(-c2nc3cc(Br)ccc3n2C)c1,C62825832_decoy,HS90A,Decoy,0.0,-8.36442,-4.67,-1.91,-4.1483632925019736
Cc1ccc2[nH]c3c(c2c1)CC/C(=C/c1ccc(O)cc1)C3=O,C27579416_decoy,HS90A,Decoy,0.0,-8.13845,-7.47,-0.3,-5.998847725067117
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc([N+](=O)[O-])cc1,C03844163_decoy,HS90A,Decoy,0.0,-7.77639,-4.61,-0.41,-5.708846032470476
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-],C00070981_decoy,HS90A,Decoy,0.0,-5.42182,-5.46,-0.41,-4.171289105238211
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1,C00284753_decoy,HS90A,Decoy,0.0,-6.59193,-5.45,-0.32,-4.910748487665232
CC(C)(C)NC(=O)NC(=O)COc1ccc2ccc(=O)oc2c1,C03598746_decoy,HS90A,Decoy,0.0,-7.73467,-5.72,-1.96,-5.535496167095941
O=C1NC(=O)[C@@](Cc2ccc([N+](=O)[O-])cc2)(c2ccccc2)N1,C02044482_decoy,HS90A,Decoy,0.0,-6.09041,-7.84,-0.84,-6.285190422987716
CC(C)[C@@H]1NC(=O)N(c2ccc3c(c2)O[C@H](c2ccncc2)N3)C1=O,C05351875_decoy,HS90A,Decoy,0.0,-8.54825,-9.32,-0.64,-10.578234312790087
Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-],C05589011_decoy,HS90A,Decoy,0.0,-4.90288,-6.71,-0.73,-5.1200709884957405
Cc1ccc(-c2cnnc(NCc3n[nH]c4c3CCCCC4)n2)o1,C11664508_decoy,HS90A,Decoy,0.0,-8.05952,-5.68,-0.69,-5.212840185983276
CC(C)CNC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1,C09059723_decoy,HS90A,Decoy,0.0,-8.49755,-7.99,-0.25,-7.67659962992638
O=C(NC1CCCC1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1,C09060307_decoy,HS90A,Decoy,0.0,-8.08353,-7.53,-0.05,-7.602089893909325
Cc1cnc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)s1,C14661908_decoy,HS90A,Decoy,0.0,-7.46635,-5.18,-2.26,-4.878660243936839
C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1,C15205992_decoy,HS90A,Decoy,0.0,-7.03688,-7.25,-1.92,-6.7408129358434445
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@H]2C1,C20000706_decoy,HS90A,Decoy,0.0,-8.21679,-4.66,-2.2,-4.7069912647935785
CNC(=O)NC1(c2nnnn2-c2ccc(C)cc2)CCC(C)CC1,C22437739_decoy,HS90A,Decoy,0.0,-7.51836,-9.03,-2.13,-7.973639437075686
Cc1ccc([C@@H](C)NC(=O)Nc2nnc(-c3ccco3)s2)cn1,C23581328_decoy,HS90A,Decoy,0.0,-8.28141,-9.54,-0.96,-6.366908027967652
Cc1ccc([C@H](C)NC(=O)Nc2nnc(-c3ccco3)s2)cn1,C23581329_decoy,HS90A,Decoy,0.0,-8.49112,-8.29,-2.16,-6.956150398691837
Cc1ccc(N/N=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1,C26966512_decoy,HS90A,Decoy,0.0,-6.96833,-8.52,-0.41,-5.439729794693866
CC1=C(S[C@H]2N=NC(=O)NC2=O)[C@H](C)N(c2ccccc2)N1,C36378053_decoy,HS90A,Decoy,0.0,-7.16637,-5.2,-0.64,-4.273819842801828
CC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(C)=C23)cc1,C39327216_decoy,HS90A,Decoy,0.0,-8.21994,-9.47,0.97,-19.230066044877333
COC(=O)N[C@H]1N=c2ccc(NC(=O)c3ccccc3)cc2=N1,C39953888_decoy,HS90A,Decoy,0.0,-8.5365,-4.99,-1.98,-4.648623783001936
O=C(NCc1ccco1)Nc1cccc(N2CCOC2=O)c1,C40513524_decoy,HS90A,Decoy,0.0,-7.7674,-9.24,-0.36,-8.781421679754036
Cc1nc(C2(NC(=O)c3cc4ccccc4c(=O)[nH]3)CCCC2)no1,C42697984_decoy,HS90A,Decoy,0.0,-8.10269,-6.58,-2.14,-5.796741297706345
N#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)c([N+](=O)[O-])c1,C45615356_decoy,HS90A,Decoy,0.0,-6.63368,-6.08,-0.01,-3.5901913522075484
Cc1cc(=O)[nH]c(-c2cccc(NC(=O)/C=C/c3cnn(C)c3)c2)n1,C47329200_decoy,HS90A,Decoy,0.0,-8.94695,-8.8,-2.49,-6.201018164283177
CNc1nc2sccn2c1S(=O)(=O)/N=c1/[nH]c(C)cs1,C50635088_decoy,HS90A,Decoy,0.0,-7.98887,-6.96,-0.77,-6.65289777821665
C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1N,C50635614_decoy,HS90A,Decoy,0.0,-5.90064,-4.45,-1.93,-4.101470676674036
Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)N1CCCCCC1,C50638847_decoy,HS90A,Decoy,0.0,-5.89912,-7.53,-0.71,-7.134142805891777
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)C1,C50648858_decoy,HS90A,Decoy,0.0,-7.98391,-8.04,-1.94,-6.161216243327072
CCc1[nH]/c(=N/S(=O)(=O)c2cnc(NC)nc2)sc1C,C50677876_decoy,HS90A,Decoy,0.0,-7.97907,-6.92,-0.07,-9.122880302642898
C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1,C51751673_decoy,HS90A,Decoy,0.0,-6.2148,-7.4,-1.69,-7.228468327356942
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1O,C52004953_decoy,HS90A,Decoy,0.0,-6.97335,-8.31,-3.49,-8.644010311047678
Cc1cc(C)nc(-n2nc(C(C)(C)C)cc2S(N)(=O)=O)n1,C52306743_decoy,HS90A,Decoy,0.0,-7.65458,-5.07,-1.09,-4.593480141221473
Cc1n[nH]c(=O)c2c(NC(=O)CN3CCc4ccccc43)oc(C)c12,C52872667_decoy,HS90A,Decoy,0.0,-7.18504,-9.68,-0.65,-7.055884430830572
C[C@H]1CCC[C@@](CO)(Nc2ncnc(Cl)c2[N+](=O)[O-])C1,C53128524_decoy,HS90A,Decoy,0.0,-6.82511,-6.06,-1.78,-6.237637670651706
C[C@@H](C(=O)N=c1[nH]c2ccccc2[nH]1)n1cnc2ccccc2c1=O,C09187639_decoy,HS90A,Decoy,0.0,-8.42978,-11.81,-1.19,-9.108211339265548
CN(C1CCCCC1)S(=O)(=O)c1cc(N)ccc1[N+](=O)[O-],C50639661_decoy,HS90A,Decoy,0.0,-6.25075,-6.97,-2.33,-7.544733945504523
O=C1Nc2ccc(O)cc2O[C@@H]1Cc1cccc([N+](=O)[O-])c1,C62495440_decoy,HS90A,Decoy,0.0,-6.78847,-9.89,-1.68,-7.267370424367846
N#Cc1ccccc1OCC(=O)N/N=C1/C(=O)Nc2ccccc21,C00032079_decoy,HS90A,Decoy,0.0,-7.29888,-5.59,-1.44,-5.771218184630452
O=C1Nc2ccccc2/C1=N\NC(=O)[C@H]1COc2ccccc2O1,C05731658_decoy,HS90A,Decoy,0.0,-7.46816,-9.93,0.17,-7.575785602019702
O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H]1NOC2=C1CCCCC2,C63795873_decoy,HS90A,Decoy,0.0,-9.43863,-5.53,-2.83,-4.865803854684103
[O-]/C(CC1=c2ccccc2=[NH+]C1)=N\c1nc(-c2ccco2)n[nH]1,C64025377_decoy,HS90A,Decoy,0.0,-7.46829,-9.37,-0.09,-7.104878229344336
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1,C44755728_decoy,HS90A,Decoy,0.0,-8.90003,-9.78,-1.16,-7.631262671326451
O=C1COc2ccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)cc2N1,C33157827_decoy,HS90A,Decoy,0.0,-8.303,-7.6,-2.76,-5.842653162044466
Cn1/c(=N/C(=O)CNC(=O)c2ccco2)[nH]c2cc(Cl)ccc21,C58228529_decoy,HS90A,Decoy,0.0,-8.76757,-5.81,-0.38,-5.499253069846788
Cc1noc([C@H](C)NC(=O)Nc2nc3ccccc3s2)n1,C58376955_decoy,HS90A,Decoy,0.0,-7.53869,-5.64,-0.32,-4.861846448745211
Cc1ccc2[nH]c3nc(N/N=C/c4cccnc4)nnc3c2c1,C64981426_decoy,HS90A,Decoy,0.0,-8.99707,-9.73,-0.72,-7.714434104772231
C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CC(C)(C)O1,C65690475_decoy,HS90A,Decoy,0.0,-7.29564,-8.18,-2.0,-7.492957556546042
Cc1ccsc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1F,C66556519_decoy,HS90A,Decoy,0.0,-7.77108,-8.21,-3.12,-6.788809530321503
CC(C)n1cc(NC(=O)Nc2nc(-c3cccnc3)cs2)cn1,C67016621_decoy,HS90A,Decoy,0.0,-8.97924,-7.49,-0.72,-6.406602352355519
O=C(Nc1cccnc1-n1cccn1)N1CCC[C@H]1c1ccc[nH]1,C67475379_decoy,HS90A,Decoy,0.0,-7.48882,-5.27,-1.16,-5.547285672023008
C=C(C)CSc1nc(N)c2c3c(sc2n1)CO[C@@H](C(C)C)C3,C00477682_decoy,HS90A,Decoy,0.0,-11.0007,-7.27,-2.99,-7.447184185992177
Cc1ccccc1Nc1ncc(F)c(Nc2ccccc2C)n1,C00566135_decoy,HS90A,Decoy,0.0,-7.48455,-9.77,-0.52,-9.192317435891049
Cc1ccc(-n2cccc2)c(NC(=O)Nc2ccccc2C(F)(F)F)c1,C01046697_decoy,HS90A,Decoy,0.0,-7.71026,-9.14,-2.29,-7.362517758199486
COc1ccc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@@]32O)cc1,C00783519_decoy,HS90A,Decoy,0.0,-9.57197,-5.69,-1.93,-5.792120122489667
CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1,C04696382_decoy,HS90A,Decoy,0.0,-8.42847,-9.22,0.18,-8.027605063603646
C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(F)cc1,C01307160_decoy,HS90A,Decoy,0.0,-5.92228,-6.93,-4.09,-5.044446938923378
Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C)[nH]c2c1,C04843261_decoy,HS90A,Decoy,0.0,-9.20459,-8.08,-1.44,-11.784291831754398
CCc1ccccc1NC(=O)Nc1cc2sccc2n1CC,C05146248_decoy,HS90A,Decoy,0.0,-8.0706,-6.84,-1.65,-7.014338066670778
CC(C)(C)c1ccc(C2=NNC(=O)[C@H](c3c[nH]c4ccccc34)C2)cc1,C05187520_decoy,HS90A,Decoy,0.0,-8.18565,-9.1,-0.78,-7.549110970656722
O=C1C=C(Nc2ccc(F)cc2)C(Nc2ccc(F)cc2)=CC1=O,C01764406_decoy,HS90A,Decoy,0.0,-7.80058,-9.06,0.33,-7.503089693872778
Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1,C05380575_decoy,HS90A,Decoy,0.0,-9.22826,-5.47,-2.3,-5.109185576445559
O=C(N/C=C\c1ccco1)NC1CCCCCCCCCCC1,C05461084_decoy,HS90A,Decoy,0.0,-7.33087,-5.6,-3.45,-5.939625062347947
N#CC1=C(N)OC2=C(CCCC2)[C@@H]1c1ccc(OCc2ccccc2)cc1,C02746744_decoy,HS90A,Decoy,0.0,-9.22454,-9.95,-1.03,-17.49477798536977
O=C(Nc1ccccc1F)NN(c1ccccc1)c1ccccc1,C06885327_decoy,HS90A,Decoy,0.0,-7.6588,-10.02,-0.45,-7.900040665283239
C[C@@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3,C06930045_decoy,HS90A,Decoy,0.0,-8.82201,-9.83,-1.7,-11.733525213504652
O=S(=O)(Nc1ccccc1F)c1ccc2[nH]c3c(c2c1)CCCCC3,C07003214_decoy,HS90A,Decoy,0.0,-7.90288,-8.24,-1.88,-7.096588767842874
Cc1ccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)NC2=O)cc1,C00113785_decoy,HS90A,Decoy,0.0,-7.79701,-8.97,-0.55,-9.123099679046566
CC(C)C(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1,C12817976_decoy,HS90A,Decoy,0.0,-8.45824,-5.82,-4.54,-3.996066982012734
Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@@H]2C3)c1,C13562376_decoy,HS90A,Decoy,0.0,-8.50931,-9.12,-1.17,-10.011917300835158
O=C1C[C@H](c2cccc(F)c2)c2sc(Nc3ccccc3)nc2N1,C15110016_decoy,HS90A,Decoy,0.0,-8.204,-7.58,-0.04,-6.364353843375103
CCc1nc(N)nc2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2,C15424337_decoy,HS90A,Decoy,0.0,-7.89346,-4.95,-1.55,-4.827414206871013
CCc1nc2sc(C(=O)OC(C)C)c(N)c2c2c1CCCC2,C16161198_decoy,HS90A,Decoy,0.0,-9.49937,-8.53,-0.97,-8.203885574834347
CC(C)c1ccc(/C=C2\S/C(=N\c3ccc(O)cc3)NC2=O)cc1,C20227365_decoy,HS90A,Decoy,0.0,-9.11677,-5.77,0.09,-5.10446797038779
CC(C)(CO)Nc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3,C20322996_decoy,HS90A,Decoy,0.0,-9.31049,-5.85,-0.84,-6.806906513281051
CC(C)c1ccc(/C=C2/Oc3ccc(N)cc3N(C(C)C)C2=O)cc1,C20339041_decoy,HS90A,Decoy,0.0,-9.21392,-9.05,-1.6,-9.845622235713169
Cc1cc([C@H](N)c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1C,C21499790_decoy,HS90A,Decoy,0.0,-8.08994,-5.12,-1.04,-5.358168439040341
Cc1cc([C@@H](N)c2cc(F)ccc2Br)cc([N+](=O)[O-])c1C,C21504153_decoy,HS90A,Decoy,0.0,-6.44304,-5.53,-0.62,-4.550021024906469
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)c2ccc(C)cc2C)C1(C)C,C24714868_decoy,HS90A,Decoy,0.0,-7.30556,-6.74,-2.34,-6.703759453712801
CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2c(=O)[nH]1,C25092431_decoy,HS90A,Decoy,0.0,-7.16258,-8.3,-1.93,-5.933003067528543
CCc1c(C)sc(NC(=O)Nc2ccccc2C(F)(F)F)c1C#N,C27922027_decoy,HS90A,Decoy,0.0,-6.99939,-7.33,-1.04,-6.7342724654090045
O=C(Nc1nc2ccc(Cl)cc2s1)Nc1ccccc1C(F)(F)F,C28226946_decoy,HS90A,Decoy,0.0,-8.26334,-7.97,-2.09,-6.035920651068983
Cc1cc(Br)ccc1NCC(=O)NC1(C#N)CCCCCC1,C32906660_decoy,HS90A,Decoy,0.0,-8.40453,-5.4,-0.71,-4.6394249177408105
C[C@@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2ccccc2o1,C37171457_decoy,HS90A,Decoy,0.0,-7.66833,-9.5,-0.72,-6.768412642453574
Nc1cc(Br)ccc1-c1nc(Cc2ccc(Cl)cc2)no1,C37742663_decoy,HS90A,Decoy,0.0,-8.97933,-6.04,-2.43,-4.563400878439751
CC(C)(C)c1nc(NC(=O)Nc2ccccc2)sc1Br,C01402788_decoy,HS90A,Decoy,0.0,-8.59957,-5.76,-2.15,-5.240348130105407
Cc1cc(C)c(NC(=O)C(=O)NC2CCCCCCCCCCC2)c(C)c1,C38717999_decoy,HS90A,Decoy,0.0,-6.64763,-6.21,-4.1,-6.027007944853676
CCO[C@H]1CC[C@@]2(C1)C[C@H](c1ccccc1O)CN2c1ccccc1O,C39503403_decoy,HS90A,Decoy,0.0,-8.70858,-5.25,-0.79,-5.588643102193417
Cc1cccc(/C=C2\SC(Nc3cc(C)ccc3O)=NC2=O)c1,C39869609_decoy,HS90A,Decoy,0.0,-8.4566,-7.33,-0.89,-5.711393873242533
Fc1cccc(Nc2nc(NC3CCCCC3)c3ccccc3n2)c1,C41152592_decoy,HS90A,Decoy,0.0,-9.92689,-11.31,-3.0,-10.290031428877915
Cc1ccccc1Cc1noc(-c2ccc(Br)cc2N)n1,C43560137_decoy,HS90A,Decoy,0.0,-9.07144,-6.61,-0.83,-5.123516310110627
Cc1ccc(CSc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1,C36646173_decoy,HS90A,Decoy,0.0,-10.3324,-8.91,-3.94,-9.570041853988162
Cc1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F,C45573697_decoy,HS90A,Decoy,0.0,-8.99168,-5.29,-1.3,-4.878386286181474
O=C(NC1CC1)c1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1,C16173078_decoy,HS90A,Decoy,0.0,-9.14913,-7.05,-1.93,-6.493526880293015
Cc1c[nH]/c(=N/C(=O)NCCSc2ccc(Cl)cc2)s1,C49205570_decoy,HS90A,Decoy,0.0,-8.96911,-8.21,-1.67,-6.336007349661715
O=C(N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)N1CCC[C@@H](O)C1,C54009090_decoy,HS90A,Decoy,0.0,-9.59187,-10.27,-2.19,-10.451029696574508
Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3C)n2)cc1,C57342100_decoy,HS90A,Decoy,0.0,-7.78688,-7.91,-0.4,-5.862609355252053
C[C@H](NC(=O)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1,C58864498_decoy,HS90A,Decoy,0.0,-9.17721,-8.23,-0.64,-8.771928276049314
O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(C2CCCCC2)cc1,C47502176_decoy,HS90A,Decoy,0.0,-7.82491,-6.58,-5.17,-4.759049461245899
Cc1ccccc1NC(=O)c1sc(Nc2cccc(F)c2)nc1C,C65184711_decoy,HS90A,Decoy,0.0,-9.28508,-5.08,-1.46,-4.65261815594832
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CC[C@H](Nc2ccccc2)C1,C67613308_decoy,HS90A,Decoy,0.0,-7.64889,-5.91,-0.61,-4.999603496229092
CN1C(=O)N[C@@H](c2ccc(O)cc2)C2=C1CN(c1ccc(OC(F)(F)F)cc1)C2=O,C01422341_decoy,HS90A,Decoy,0.0,-7.19266,-5.31,-2.07,-4.6316930399729
COC(=O)NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CC[C@@H](C)C2,C07613880_decoy,HS90A,Decoy,0.0,-10.7936,-5.34,-2.12,-6.009386056076375
CN(c1ccc(O)cc1)[C@H]1NC(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1,C06151124_decoy,HS90A,Decoy,0.0,-9.36333,-9.6,-3.26,-8.833715693592696
C=CCn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21,C08967473_decoy,HS90A,Decoy,0.0,-9.86596,-5.51,-0.36,-6.769563857366566
Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1,C09592337_decoy,HS90A,Decoy,0.0,-10.1909,-8.29,-2.06,-6.417279827038846
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O,C09874429_decoy,HS90A,Decoy,0.0,-8.20104,-9.61,-2.28,-9.516998542572184
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1,C10142197_decoy,HS90A,Decoy,0.0,-9.67851,-9.99,-3.64,-8.98879061975324
Cc1ccc(-c2csc(NC(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)n2)c(C)c1,C11357078_decoy,HS90A,Decoy,0.0,-10.0505,-10.05,-3.13,-8.262416872819644
Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)Cc2ccccc2F)CC1,C11704094_decoy,HS90A,Decoy,0.0,-9.62545,-6.65,-2.57,-7.147043746079205
Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)n1,C11854411_decoy,HS90A,Decoy,0.0,-8.26086,-6.24,-1.89,-5.509239492868285
Cc1cc(C)cc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[nH]2)c1,C11854891_decoy,HS90A,Decoy,0.0,-10.5613,-8.94,-1.8,-9.004567462579704
O=C(Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccc(Cl)cc1,C11855749_decoy,HS90A,Decoy,0.0,-10.1407,-5.33,-1.8,-5.7903898973235215
O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)[C@H]2CC=CCC2)CC1,C12300521_decoy,HS90A,Decoy,0.0,-9.23186,-5.55,-2.67,-5.79107697474636
Cc1sc2nc(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)n(C3CCCC3)c(=O)c2c1C,C12747273_decoy,HS90A,Decoy,0.0,-9.46166,-8.26,-2.41,-10.07999901648257
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1nn(-c2ccccc2)c(=O)c2ccccc12,C12998271_decoy,HS90A,Decoy,0.0,-9.52744,-5.83,-1.6,-5.926026938748497
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NNC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21,C13616830_decoy,HS90A,Decoy,0.0,-10.1309,-11.71,-2.5,-10.626885497485638
Cc1cccc(NC(=O)NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)c1C,C16658052_decoy,HS90A,Decoy,0.0,-9.31289,-9.87,-1.94,-8.824115164743574
C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21,C17043847_decoy,HS90A,Decoy,0.0,-5.81687,-9.0,-0.81,-7.269090291961051
CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3,C20853826_decoy,HS90A,Decoy,0.0,-8.65584,-8.61,-0.83,-10.572115315040673
C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2,C21742719_decoy,HS90A,Decoy,0.0,-7.87139,-6.67,-1.01,-5.673163319862995
C[C@H](NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)C12CC3CC(CC(C3)C1)C2,C21742721_decoy,HS90A,Decoy,0.0,-7.91364,-7.37,-1.47,-5.920707484100562
N#CC(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)=C1Nc2ccccc2N1,C06017346_decoy,HS90A,Decoy,0.0,-9.12407,-11.18,-4.32,-12.233699301879232
Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2COc3ccccc3O2)c1,C27664499_decoy,HS90A,Decoy,0.0,-8.9922,-11.12,-2.11,-9.609603471718158
C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O)c1ccc2ccccc2c1,C36848931_decoy,HS90A,Decoy,0.0,-8.13932,-11.2,-1.44,-9.36694501932468
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC[C@@H]2CCCO2)cc1C,C17209623_decoy,HS90A,Decoy,0.0,-9.47371,-10.1,-1.2,-10.00263357737827
Cc1ccc(NC2=NN(c3nc4ccccc4[nH]3)[C@@H]3C[C@@H](c4ccco4)CC(=O)[C@H]23)cc1,C38741865_decoy,HS90A,Decoy,0.0,-8.44739,-7.08,-3.91,-6.015836245801517
O=C1C2=CNc3nc(-c4ccc(Cl)cc4)nn3[C@@H]2C=CN1CCc1c[nH]c2ccccc12,C39331152_decoy,HS90A,Decoy,0.0,-9.4837,-10.11,,99.0
Clc1ccc(OCC2=NN3[C@@H](NN[C@H]3[C@@H]3C=C(c4ccccc4)N=N3)S2)cc1,C39594009_decoy,HS90A,Decoy,0.0,-7.00424,-9.6,-1.31,-7.059170004202887
O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1,C39894562_decoy,HS90A,Decoy,0.0,-9.41553,-6.75,-2.46,-6.799003332133596
O=C(Nc1ccc(Br)cc1)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,C39894566_decoy,HS90A,Decoy,0.0,-9.28341,-5.6,-1.36,-6.16604532870048
Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccco1,C39919929_decoy,HS90A,Decoy,0.0,-9.67633,-9.34,-0.46,-9.056883904576516
Cc1c(C(=O)NCc2ccco2)oc2c1/C(=N/NC(=O)c1cccc3ccccc13)CCC2,C40813587_decoy,HS90A,Decoy,0.0,-8.60664,-10.79,-1.37,-7.914089561806881
Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N/NS(=O)(=O)c1ccccc1)CCC2,C40815053_decoy,HS90A,Decoy,0.0,-9.82747,-11.26,-0.68,-9.144114887877036
CCSc1nc2n(n1)[C@@H](c1ccccn1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,C41020715_decoy,HS90A,Decoy,0.0,-9.55691,-7.72,-0.17,-8.616783852773896
CC[C@H](c1ccccc1)n1nccc1NC(=O)[C@@]1(C)Oc2ccc(Cl)cc2NC1=O,C41549465_decoy,HS90A,Decoy,0.0,-9.19337,-5.61,-1.81,-5.903874411385353
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCN(c2nc3ccccc3o2)CC1,C14282139_decoy,HS90A,Decoy,0.0,-9.73359,-5.77,-1.66,-5.332790945341311
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cccc(OC(F)(F)F)c1)C2=O,C31030412_decoy,HS90A,Decoy,0.0,-7.03717,-10.27,-3.4,-8.416830863177266
O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F,C00674976_decoy,HS90A,Decoy,0.0,-8.59006,-5.34,-0.81,-5.6567425584747015
O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N=c1[nH]c2ccccc2[nH]1,C20836760_decoy,HS90A,Decoy,0.0,-9.72448,-10.68,-2.53,-7.4333703466859555
CC(=O)N(c1nc(/C=C/C(=O)N=c2[nH]c3ccccc3[nH]2)cs1)c1ccccc1F,C40159817_decoy,HS90A,Decoy,0.0,-9.63366,-5.68,-3.79,-5.270450185947184
[H]/N=C1/NC(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)S1,C23128346_decoy,HS90A,Decoy,0.0,-7.43217,-5.81,-2.55,-4.150509411015273
O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Br)c1,C17101104_decoy,HS90A,Decoy,0.0,-9.77322,-9.41,-1.21,-10.082968922867565
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1C,C57458887_decoy,HS90A,Decoy,0.0,-8.27618,-8.32,-0.28,-7.9146470005209215
Cc1cccn2cc(-c3ccc(NC(=O)CCc4nc5ccccc5c(=O)[nH]4)cc3)nc12,C59020255_decoy,HS90A,Decoy,0.0,-9.38716,-7.76,-1.48,-6.496198811769261
CCn1c2ccccc2c2cc(NC(=O)Cc3c(C)nc(-c4cccnc4)[nH]c3=O)ccc21,C59577106_decoy,HS90A,Decoy,0.0,-9.55585,-9.07,-3.9,-7.748077189065075
CC(C)(C)C1=NN=C2OC(N)=C(C#N)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)[C@H]21,C01110938_decoy,HS90A,Decoy,0.0,-7.70006,-6.19,0.25,-5.488202552186047
C=C1C=C([O-])N2C(=NC(N3CCN(c4ccccc4)CC3)=[NH+][C@H]2c2ccc(SC)cc2)N1,C49937301_decoy,HS90A,Decoy,0.0,-10.9379,-6.05,-1.65,-6.421219696551352
[H]/N=C1\C2=C(C)N=NC2=N[C@H](SCC(=O)Nc2ccc(C)c(C)c2)N1c1cccc(C)c1,C63731787_decoy,HS90A,Decoy,0.0,-9.13434,-7.35,-1.18,-7.672277668535755
CCCC1=NN=C2OC(N)=C(C#N)[C@@]3(C(=O)N(Cc4ccc(C)cc4)c4ccccc43)[C@@H]12,C09210739_decoy,HS90A,Decoy,0.0,-7.44329,-7.08,-0.51,-6.070669063988156
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccccc3F)c3ccccc32)cc1,C64971487_decoy,HS90A,Decoy,0.0,-9.93412,-5.91,-2.27,-6.18912281317568
Cc1ccccc1NC(=O)[C@H](C)Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C01290301_decoy,HS90A,Decoy,0.0,-10.0327,-9.9,-0.68,-8.29986464011078
CCc1ccc([C@H]2C3=C(CCCC3=O)Nc3nc(S[C@H](C)CC)[nH]c(=O)c32)cc1,C00937270_decoy,HS90A,Decoy,0.0,-9.36526,-5.43,-2.13,-6.6052293082278055
CCCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2,C02922090_decoy,HS90A,Decoy,0.0,-8.81587,-9.0,-3.12,-8.696295429976702
COc1ccccc1NC(=O)c1ccccc1NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C,C04686584_decoy,HS90A,Decoy,0.0,-8.52274,-9.4,-2.0,-9.857829143813586
Cc1c(NC(=S)NC(=O)c2cccc3ccccc23)cccc1-c1nc2ccccc2o1,C04090591_decoy,HS90A,Decoy,0.0,-10.003,-12.09,-2.0,-10.060070480070802
CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1,C05504607_decoy,HS90A,Decoy,0.0,-7.8982,-8.44,-0.61,-9.085222130428424
Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C,C00947920_decoy,HS90A,Decoy,0.0,-7.62798,-6.72,-2.1,-5.7196675953974605
Oc1ccccc1/C=C/C1=NN(c2nc(-c3ccccc3)cs2)[C@](O)(C(F)(F)F)C1,C08754024_decoy,HS90A,Decoy,0.0,-11.1371,-10.45,-2.81,-9.435595754730263
O=C(NC1CCCCC1)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1,C09239978_decoy,HS90A,Decoy,0.0,-8.87711,-8.89,-4.51,-7.200462593954265
O=c1c2ccccc2c(=O)c2c1c(NCCc1ccccc1)cc1oc3ccccc3[nH]c12,C09310941_decoy,HS90A,Decoy,0.0,-9.07661,-8.95,-1.28,-7.665823145834444
Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C\c1ccco1,C09636681_decoy,HS90A,Decoy,0.0,-9.35745,-6.21,-3.55,-5.513022669009238
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2,C11024168_decoy,HS90A,Decoy,0.0,-10.3296,-5.14,-3.93,-6.125538142463074
Brc1ccc(COc2cccc(/C=N/Nc3nc4ccccc4[nH]3)c2)cc1,C09763699_decoy,HS90A,Decoy,0.0,-10.2381,-10.54,-2.78,-8.959600508702087
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ccc(Nc2ccccc2)cc1,C08436192_decoy,HS90A,Decoy,0.0,-5.08113,-6.96,-2.33,-5.283303307345189
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1Br,C02630369_decoy,HS90A,Decoy,0.0,-11.5602,-6.46,-0.75,-6.8318223485927865
CC1=CC(=O)[C@H](C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)[C@@H]1C(=O)Nc1ccccc1,C15081088_decoy,HS90A,Decoy,0.0,-8.50091,-6.32,-2.84,-8.361139427970269
O=C1C[C@H](c2ccc(OC3CCCC3)cc2)c2sc(Nc3ccccc3)nc2N1,C15110059_decoy,HS90A,Decoy,0.0,-9.80549,-8.65,-0.41,-7.998481448628181
Cc1cc(C)c(Cc2c(C)nc(Nc3nc(-c4ccccc4)cs3)nc2O)c(C)c1,C16886280_decoy,HS90A,Decoy,0.0,-10.1124,-5.71,-0.73,-5.832065908564116
O=C1N/C(=N\c2ccc(O)cc2)S/C1=C/c1ccc(OCc2ccccc2)cc1,C08436054_decoy,HS90A,Decoy,0.0,-9.20257,-10.14,-1.98,-7.385592520614091
COc1ccc(/C=N/NC(=O)c2ccc([C@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]34)cc2)cc1,C20247896_decoy,HS90A,Decoy,0.0,-9.91407,-7.36,-3.02,-6.201725560239133
O=C(Nc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1)C1CCCCC1,C20494072_decoy,HS90A,Decoy,0.0,-9.98268,-6.9,-2.27,-5.50103190110131
CCc1ccc(Nc2nc3c(c(Nc4ccc(C)cc4)n2)C(=O)C[C@@H](C)C3)cc1,C22444897_decoy,HS90A,Decoy,0.0,-9.22995,-5.52,-0.49,-5.617195245568904
Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2C(=O)C[C@@H](C)C3)cc1,C22448026_decoy,HS90A,Decoy,0.0,-10.3467,-6.18,-1.0,-6.200855589115443
FC(F)(F)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1,C32617698_decoy,HS90A,Decoy,0.0,-8.10595,-9.23,-2.29,-7.957439884404417
O=C(Nc1ccccc1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2cccc(Cl)c2)C1,C34710342_decoy,HS90A,Decoy,0.0,-9.10406,-6.38,-2.29,-6.6244841838319175
Cc1ccccc1Nc1nc(NCc2ccco2)nc2sc3c(c12)CCCC3,C34733787_decoy,HS90A,Decoy,0.0,-10.6164,-9.43,-1.11,-8.737118667364289
c1ccc(CCNc2nc(NN3CCCC3)c3c4c(sc3n2)CCCC4)cc1,C34733866_decoy,HS90A,Decoy,0.0,-10.2508,-5.45,-1.81,-6.029177386855786
Cc1ccc(NC(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCCCNC2=O)cc1,C34946280_decoy,HS90A,Decoy,0.0,-7.89977,-5.06,-1.32,-5.420582206565085
COc1ccc(C2=C(C)NN/C2=C2\C=CC(OCc3ccccc3C)=CC2=O)cc1,C08970916_decoy,HS90A,Decoy,0.0,-8.61173,-8.63,-0.68,-7.403166389114927
Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCC2CCCCC2)cc1,C09344959_decoy,HS90A,Decoy,0.0,-9.1792,-9.73,-2.14,-8.69330758208464
Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@H](C(C)(C)C)C3)c1,C00643979_decoy,HS90A,Decoy,0.0,-7.71289,-5.56,-3.05,-4.245151771708051
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(C(C)C)cc1,C38649368_decoy,HS90A,Decoy,0.0,-7.60608,-6.04,-0.47,-5.473474918931915
Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc3ccccc23)c1,C38657624_decoy,HS90A,Decoy,0.0,-9.40055,-9.16,-3.85,-8.186064042944919
CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1,C38676759_decoy,HS90A,Decoy,0.0,-8.76157,-7.0,-1.06,-6.917660242711917
CC(C)(C)[C@@H](NCN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(F)cc1,C40149159_decoy,HS90A,Decoy,0.0,-7.05923,-9.64,-2.66,-8.257778864529657
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2,C06856692_decoy,HS90A,Decoy,0.0,-10.7024,-9.34,-2.46,-10.477683784749372
Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/Nc1ccccc1)CCC2,C40824207_decoy,HS90A,Decoy,0.0,-9.0456,-9.51,-0.97,-8.039431174383518
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)Nc1ccccc1,C41013699_decoy,HS90A,Decoy,0.0,-8.90719,-7.95,-2.09,-7.611490963137975
CCC(=O)Nc1ccc(-c2c(-c3cccc(C)c3)[nH]n(-c3ccccc3C)c2=O)cc1,C36084937_decoy,HS90A,Decoy,0.0,-8.65505,-11.06,-3.2,-8.173917781104347
Cc1ccc([C@H](NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c2ccccc2)cc1,C57403291_decoy,HS90A,Decoy,0.0,-8.32736,-9.86,-0.21,-8.244737377748796
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1,C03011829_decoy,HS90A,Decoy,0.0,-6.12944,-5.98,-3.02,-4.726400084875634
O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccccc1C(F)(F)F,C46141116_decoy,HS90A,Decoy,0.0,-8.5944,-10.46,-0.3,-10.101204024608702
CC(C)CSc1nnc(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)[nH]1,C59310314_decoy,HS90A,Decoy,0.0,-10.6744,-12.29,-1.99,-9.840935999891183
CC[C@@H](C)Sc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1,C20837107_decoy,HS90A,Decoy,0.0,-11.175,-10.74,-4.53,-10.14506266239546
Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1,C20145390_decoy,HS90A,Decoy,0.0,-9.52693,-9.52,-1.53,-8.098446387524291
CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)C1,C60318920_decoy,HS90A,Decoy,0.0,-9.66016,-5.68,-2.14,-6.645668368501759
C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1,C15947624_decoy,HS90A,Decoy,0.0,-9.59739,-7.2,-1.82,-4.955901368228269
CC(C)c1ccc([C@@H](NC(=O)N2CCC(NC(=O)C3CCC3)CC2)C(C)C)cc1,C66176081_decoy,HS90A,Decoy,0.0,-9.98774,-5.69,-1.73,-6.311880154636612
Cc1cc(Cl)c(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)c2cccnc12,C66306839_decoy,HS90A,Decoy,0.0,-9.08836,-9.26,-3.86,-10.993071904812377
Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)c1,C66926693_decoy,HS90A,Decoy,0.0,-9.25823,-7.71,-1.66,-7.122890630089699
CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)N(C2CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O,C04199115_decoy,HS90A,Decoy,0.0,-9.64642,-8.06,-1.72,-10.12368630891459
Cc1cccc(NC(=O)c2c(NC(=O)C[NH+]3CCCC[C@H]3C)sc3c2CCC3)c1,C04554481_decoy,HS90A,Decoy,0.0,-11.049,-9.55,-2.99,-10.86798261083278
CC[NH+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cccc(C)c2C)C1,C06877446_decoy,HS90A,Decoy,0.0,-10.1652,-8.05,-2.56,-8.775293083782877
Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1,C06940044_decoy,HS90A,Decoy,0.0,-8.39023,-7.43,-2.11,-7.736419378316002
COC(=O)c1c(NC(=O)CCCSc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C09472795_decoy,HS90A,Decoy,0.0,-11.5482,-7.31,-1.82,-8.098926736042799
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1,C09870330_decoy,HS90A,Decoy,0.0,-9.76261,-7.1,-1.59,-7.787676187798471
COc1cc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cccc(OCCO)c2)ccc1F,C12028678_decoy,HS90A,Decoy,0.0,-10.1573,-8.86,-1.67,-9.12195618420437
COc1cc([C@@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cccc(OCCO)c2)ccc1F,C12028681_decoy,HS90A,Decoy,0.0,-10.2535,-6.76,-1.08,-7.236419896854
C[C@@H](CC[NH+]1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1)c1ccccc1,C12052801_decoy,HS90A,Decoy,0.0,-8.70056,-10.04,-1.18,-10.978507054786828
O=C(C[C@@H]1C(=O)NCC[NH+]1Cc1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2,C12372930_decoy,HS90A,Decoy,0.0,-9.13292,-8.95,-1.11,-16.307841900702364
O=C(C[C@H]1C(=O)NCC[NH+]1CC(c1ccccc1)c1ccccc1)NCc1cccc(F)c1,C12373073_decoy,HS90A,Decoy,0.0,-10.0442,-6.11,-1.45,-7.470442831959667
C[NH+](CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1Sc1ccccc1,C03332623_decoy,HS90A,Decoy,0.0,-8.53284,-9.74,-2.23,-9.23344776238518
CC[NH+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1C,C12635429_decoy,HS90A,Decoy,0.0,-9.36079,-7.28,-3.93,-7.938976106461459
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c(C)c1,C12566681_decoy,HS90A,Decoy,0.0,-10.5662,-9.6,-1.13,-9.95969570099654
O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cccc(I)c1,C12940617_decoy,HS90A,Decoy,0.0,-9.69757,-7.72,-3.18,-6.5386220076835855
O=C(C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccccc1I,C12975600_decoy,HS90A,Decoy,0.0,-8.94709,-9.94,-2.16,-10.053447821740829
CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(Cl)cc3)cc12,C13564683_decoy,HS90A,Decoy,0.0,-11.4931,-6.19,-4.52,-6.561803761589707
O=C1Nc2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2S/C1=C\c1ccccc1,C03064066_decoy,HS90A,Decoy,0.0,-9.20753,-8.18,-1.81,-7.821510155933725
C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H](O)Cn1c2ccccc2c2ccccc21,C27228817_decoy,HS90A,Decoy,0.0,-9.55597,-11.08,-4.27,-11.872370275597923
CCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc12,C27587947_decoy,HS90A,Decoy,0.0,-9.84661,-9.61,-2.29,-11.771535537329322
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H]([NH2+]C3CC3)C[C@@H](c3ccc(C(F)(F)F)cc3)N21,C35424268_decoy,HS90A,Decoy,0.0,-9.16232,-6.59,-3.16,-6.626019652968291
CC(C)CC[NH+](Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C[C@@H](O)C(C)C,C35745705_decoy,HS90A,Decoy,0.0,-9.89367,-7.64,-4.08,-8.912555393752754
CC(C)[C@@H](O)C[NH+](Cc1nc2scc(-c3ccccc3F)c2c(=O)[nH]1)C1CCCCC1,C35746059_decoy,HS90A,Decoy,0.0,-11.171,-8.53,-2.48,-9.780793314618824
CC[C@@H](O)C[NH+](Cc1ccccc1)Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1,C35746497_decoy,HS90A,Decoy,0.0,-9.65544,-8.78,-2.92,-8.425144399348179
CC(C)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)Cc1ccccc1,C36156542_decoy,HS90A,Decoy,0.0,-9.50483,-8.86,-3.2,-8.188747843393308
CC(C)(C)C[NH+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccccc1C(F)(F)F,C13636640_decoy,HS90A,Decoy,0.0,-7.86858,-9.1,-2.49,-9.089563375389732
Cc1cccc(N[C@H](c2cccc(Cl)c2)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1,C38546947_decoy,HS90A,Decoy,0.0,-11.7392,-6.12,-2.24,-7.561802607690647
Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc[nH+]2)c2ccc(Br)cc2)c1C,C38547648_decoy,HS90A,Decoy,0.0,-10.3674,-8.78,-1.87,-11.264797647269653
CN1CCCc2cc([C@@H](CNC(=O)Nc3ccccc3C(F)(F)F)[NH+]3CCCCC3)ccc21,C38671254_decoy,HS90A,Decoy,0.0,-9.40058,-10.32,-2.14,-10.942913779358047
Cn1cccc1[C@@H](CNC(=O)NCc1cccc2ccccc12)[NH+]1CCCCCC1,C38678146_decoy,HS90A,Decoy,0.0,-8.77824,-7.4,-4.09,-9.33211548108678
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[NH+](Cc2ccc(C)cc2)C1,C38855422_decoy,HS90A,Decoy,0.0,-10.0737,-10.62,-1.03,-10.698480673293847
C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[NH+](Cc2cccc3ccccc23)C1,C38855817_decoy,HS90A,Decoy,0.0,-9.56858,-10.36,-0.97,-9.454029890392452
O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1,C39229867_decoy,HS90A,Decoy,0.0,-9.1702,-7.37,-1.37,-6.303800605588216
CC1=C(C[NH2+]C[C@@H]2C=NN=C2c2ccc(F)cc2F)[C@@H](C)N(c2ccc(F)cc2)N1,C39404908_decoy,HS90A,Decoy,0.0,-9.25164,-9.8,-1.05,-9.000384674158678
C1=NN=C(c2ccc(-c3ccccc3)cc2)[C@@H]1C[NH2+]CC1=C[C@H](c2ccccc2)ON1,C39454725_decoy,HS90A,Decoy,0.0,-9.8915,-10.15,-2.31,-8.333126844589627
CC[C@@H](C(=O)N1C[C@@H](C(=O)NC2CCCCCC2)C2(CC[NH2+]CC2)C1)c1ccccc1,C39633606_decoy,HS90A,Decoy,0.0,-9.6347,-10.18,-1.49,-9.67730728354199
CCCCCCNC(=O)[C@@H]1CN(C(=O)[C@@H](CC)c2ccccc2)CC12CC[NH2+]CC2,C39660363_decoy,HS90A,Decoy,0.0,-9.7498,-8.57,-0.98,-9.172967184762308
CC[C@H](C(=O)N1C[C@H](C(=O)NCCc2ccccc2C)C2(CC[NH2+]CC2)C1)c1ccccc1,C39691188_decoy,HS90A,Decoy,0.0,-10.4345,-10.31,-2.31,-10.352806777705972
CC[C@@H](C(=O)N1C[C@H](C(=O)NCCc2ccccc2C)C2(CC[NH2+]CC2)C1)c1ccccc1,C39691189_decoy,HS90A,Decoy,0.0,-8.75731,-7.77,-1.77,-7.789958353412696
CC1(C)[C@@H]2CC=C(C[NH+]3CCC([C@]4(Cc5ccccc5F)NC(=O)NC4=O)CC3)[C@H]1C2,C43609156_decoy,HS90A,Decoy,0.0,-8.3479,-7.13,-2.23,-6.686679331008135
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@@H](c1cccs1)[NH+]1CCCC1,C45575094_decoy,HS90A,Decoy,0.0,-10.5228,-5.43,-0.58,-7.944255953533371
CC[C@H](C)CN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(C(=S)Nc1ccc(F)cc1)CC2,C36032767_decoy,HS90A,Decoy,0.0,-9.59459,-7.34,-3.05,-8.29639187513832
Cc1c(Nc2c(C#N)cnc3sc(C4=CS[C@H](C[NH+](C)C)C4)cc23)ccc2[nH]ccc12,C52550845_decoy,HS90A,Decoy,0.0,-11.9524,-8.16,-0.94,-10.116890146606956
CC(C)(CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)[NH+]1CCc2ccccc2C1,C25461263_decoy,HS90A,Decoy,0.0,-9.786,-6.9,-1.75,-7.592885048020001
COc1cccc(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC,C05945306_decoy,HS90A,Decoy,0.0,-8.78927,-7.84,-2.16,-9.936991760311424
Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)cc1,C59326553_decoy,HS90A,Decoy,0.0,-10.4321,-8.08,-2.37,-8.855264745796838
C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CNC(=O)Cc2cccc3ccccc23)C1,C53417463_decoy,HS90A,Decoy,0.0,-8.62906,-9.42,-3.5,-10.393907191295574
CC(C)[NH+]1CCC[C@@H](CNC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1,C60207695_decoy,HS90A,Decoy,0.0,-10.8533,-9.33,-5.51,-11.064775328540556
Cc1nc(NCCc2ccccc2)sc1C(=O)NCCC1=c2ccccc2=[NH+]C1,C63205668_decoy,HS90A,Decoy,0.0,-10.4338,-10.73,-3.27,-11.463702259594909
Cc1cccc(N/C(=N\C(=O)c2ccccc2F)NCCC2=c3ccccc3=[NH+]C2)c1,C63588596_decoy,HS90A,Decoy,0.0,-8.59556,-6.51,-1.29,-6.259485200286297
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccccc2Br)o1,C02769626_decoy,HS90A,Decoy,0.0,-8.2394,-7.77,-0.65,-8.25860965771681
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1[N+](=O)[O-],C01076469_decoy,HS90A,Decoy,0.0,-8.12326,-9.09,-0.8,-9.38566546967166
COc1cccc([C@H]2c3cc4c(cc3O[C@H](NNc3ccccc3)[C@@H]2C)OCO4)c1OC,C05956655_decoy,HS90A,Decoy,0.0,-7.72478,-6.23,-1.58,-5.8810046893295125
CC(C)(C)c1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1,C04251547_decoy,HS90A,Decoy,0.0,-7.66011,-9.28,-0.99,-7.795800994636334
CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])c1,C07903274_decoy,HS90A,Decoy,0.0,-8.04021,-9.73,-1.54,-8.135784746784484
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)NC2CCCCC2)c1,C09229424_decoy,HS90A,Decoy,0.0,-9.99112,-5.65,-1.64,-5.539790687859466
CCc1ccc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[nH]n23)cc1,C09641712_decoy,HS90A,Decoy,0.0,-10.1799,-11.84,-1.45,-10.345813271832494
Cc1cccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)c1,C09648198_decoy,HS90A,Decoy,0.0,-9.20817,-9.66,-1.32,-9.383512060463667
Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)[nH]c2=O)c1,C10433713_decoy,HS90A,Decoy,0.0,-7.94776,-9.81,-2.09,-8.079637598065595
CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)n1,C12126181_decoy,HS90A,Decoy,0.0,-8.53282,-10.15,-3.53,-9.626687502972114
O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)C1CCCCC1,C12377094_decoy,HS90A,Decoy,0.0,-8.96336,-9.04,-2.74,-7.407043036622975
COc1ccc([C@@H]2NC(=O)N(C)C=C2c2csc(N/N=C/c3ccc(F)cc3)n2)cc1,C12408820_decoy,HS90A,Decoy,0.0,-9.69017,-5.78,-0.77,-6.17126915526966
COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4CC=C(CCC=C(C)C)C[C@H]4C)c(=O)[nH]c3c2c1,C12659560_decoy,HS90A,Decoy,0.0,-8.71194,-6.84,-1.77,-6.015552287429337
COC(=O)c1ccccc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C,C13331433_decoy,HS90A,Decoy,0.0,-7.80408,-9.47,-3.38,-7.876904427552614
CCCNS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2,C14471904_decoy,HS90A,Decoy,0.0,-9.37788,-5.2,-1.77,-5.670814722698975
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(OCc2ccccc2)cc1,C16046336_decoy,HS90A,Decoy,0.0,-9.10268,-10.67,-2.33,-8.782085423003888
CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1,C16490109_decoy,HS90A,Decoy,0.0,-10.2042,-5.58,-0.44,-6.160947720796537
Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc(F)c2)c1,C17026690_decoy,HS90A,Decoy,0.0,-7.73346,-9.54,-1.56,-9.578421440223082
Cc1cccc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)c1,C17135429_decoy,HS90A,Decoy,0.0,-10.0361,-9.3,-4.33,-10.572173284980266
O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1C(F)(F)F,C02717760_decoy,HS90A,Decoy,0.0,-9.27724,-9.31,-0.35,-10.3182609898566
Cc1c(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C,C01032956_decoy,HS90A,Decoy,0.0,-9.86445,-6.27,-3.32,-6.135734130598355
COC(=O)C1=C(CS(=O)(=O)c2c(C)cc(C)cc2C)NC(=O)N[C@H]1c1ccc(C)cc1,C20858120_decoy,HS90A,Decoy,0.0,-9.32151,-9.5,-2.34,-8.747011132688979
CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccccc3OCC)ccc21,C22508787_decoy,HS90A,Decoy,0.0,-9.35001,-8.56,-2.66,-8.640600639816434
Cc1ccc2c(CC(=O)NN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)coc2c1C,C23752399_decoy,HS90A,Decoy,0.0,-8.05891,-11.46,-1.31,-9.1540669366214
O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2,C25039134_decoy,HS90A,Decoy,0.0,-9.05667,-5.59,-4.45,-5.343807001850214
O=C(Nc1cccc(OC(F)(F)[C@H](F)Cl)c1)Nc1cccc([N+](=O)[O-])c1,C32620005_decoy,HS90A,Decoy,0.0,-6.9072,-10.36,-1.6,-7.722375272064825
COC(=O)[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)c1ccccc1,C32856350_decoy,HS90A,Decoy,0.0,-6.82847,-8.77,-2.7,-6.541479148640556
CCC(CC)C(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(C#N)c3)cc2)CC1,C35335660_decoy,HS90A,Decoy,0.0,-9.4635,-7.23,-3.63,-6.6743768232419365
C=CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CC(=O)Nc1ccc(F)cc1)C2=O,C35969038_decoy,HS90A,Decoy,0.0,-9.07637,-5.58,-2.36,-5.472728057362857
C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NC(=O)NC1CCCCC1,C36796569_decoy,HS90A,Decoy,0.0,-8.54366,-9.73,-2.11,-7.576068297718965
O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3Cl)n2)C1,C37426547_decoy,HS90A,Decoy,0.0,-9.9969,-8.47,-0.85,-8.434329693926541
CC1=C(/C=N/NC(=O)[C@H]2N=NC3=C2C[C@@H](CC(C)(C)C)CC3)[C@@H](C)N(c2ccccc2)N1,C39571267_decoy,HS90A,Decoy,0.0,-7.85848,-9.39,-1.4,-7.418543503846409
CC(C)(C)[C@H]1CCC2=C(C1)S[C@@H](NC(=O)CSc1nc(-c3ccco3)n[nH]1)[C@@H]2C#N,C39964422_decoy,HS90A,Decoy,0.0,-9.30321,-6.08,-1.42,-5.98614643874645
O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Nc1ccccc1Br,C40599338_decoy,HS90A,Decoy,0.0,-7.77939,-8.83,-2.58,-7.4980697457273155
Cc1ccc(CNc2ncnc(Nc3ccc(Br)cc3)c2[N+](=O)[O-])cc1,C40649170_decoy,HS90A,Decoy,0.0,-8.96307,-5.48,-2.06,-5.618406161327369
CCCNC(=O)c1oc2c(c1C)/C(=N/NC(=O)Cc1coc3cc(C)cc(C)c13)CCC2,C40826910_decoy,HS90A,Decoy,0.0,-10.9768,-10.45,-1.83,-10.033863838855128
COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(O)cc1,C40927441_decoy,HS90A,Decoy,0.0,-9.47758,-8.97,-0.09,-8.857076730925339
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(NC(=O)C3CCCC3)cc2)NC(=O)N1C,C04926493_decoy,HS90A,Decoy,0.0,-8.75975,-4.26,-3.7,-5.542455762712837
CC1=C(C(=O)OC(C)C)[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N1,C04144232_decoy,HS90A,Decoy,0.0,-10.0603,-9.46,-1.07,-10.795105167353556
CC(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1,C17081910_decoy,HS90A,Decoy,0.0,-9.62434,-9.73,-0.97,-7.821456676127933
N#CC1(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)CCCCC1,C07790763_decoy,HS90A,Decoy,0.0,-8.36031,-9.96,-2.84,-9.48828878435188
Cc1c(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])oc2ccc(Cl)cc12,C59400725_decoy,HS90A,Decoy,0.0,-8.11871,-9.38,-3.73,-7.568166750792277
C/C(=N\Nc1nc(SCC(=O)N2CCC[C@@H](C)C2)n[nH]1)c1ccc2ccccc2c1,C59819844_decoy,HS90A,Decoy,0.0,-11.5088,-8.3,-1.6,-8.281887417169647
NC(=O)c1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1,C60391364_decoy,HS90A,Decoy,0.0,-9.43858,-10.51,-1.03,-9.34814468087452
C/C(NNC(=O)CC(C)C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F,C08432392_decoy,HS90A,Decoy,0.0,-9.92114,-6.12,-1.33,-6.044037535041578
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1,C06719106_decoy,HS90A,Decoy,0.0,-8.8235,-6.08,-4.24,-6.39168167622993
CC(C)CC1=C[C@H]([C@H]2NN[C@H]3SC(COc4ccc5ccccc5c4)=NN23)N=N1,C39954978_decoy,HS90A,Decoy,0.0,-9.75836,-5.46,-1.08,-4.968182993455216
COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=NN=C(c4ccc(CC(C)C)cc4)[C@H]32)cc1,C00985872_decoy,HS90A,Decoy,0.0,-7.80077,-4.8,-1.13,-5.128293800905849
Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1,C65495695_decoy,HS90A,Decoy,0.0,-10.5252,-9.92,-3.31,-10.226633017020353
CCCC(=O)Nc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C,C67500163_decoy,HS90A,Decoy,0.0,-8.71875,-7.54,-2.05,-7.188258190566555
COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C(C)(C)C)C2,C00643986_decoy,HS90A,Decoy,0.0,-9.9689,-8.27,-1.63,-8.435674601688557
Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NC3(C#N)CCCCC3)s2)c1C,C07742687_decoy,HS90A,Decoy,0.0,-7.83408,-9.45,-1.18,-6.632803532075949
O=[N+]([O-])c1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2O)cc1,C08431968_decoy,HS90A,Decoy,0.0,-8.46611,-10.07,-1.9,-8.583874228451018
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)cc2F)cc1,C06142863_decoy,HS90A,Decoy,0.0,-8.63722,-10.24,-1.7,-9.971647049425076
O=C(/C=C/c1ccccc1)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3,C02314841_decoy,HS90A,Decoy,0.0,-8.63553,-5.74,-3.2,-5.445601257161937
COC(=O)C1=C(C)NC(=S)N[C@H]1c1c(OC(=O)c2ccccc2)ccc2ccccc12,C09090715_decoy,HS90A,Decoy,0.0,-7.25686,-9.28,-1.15,-8.184083658118798
Cc1ccc2nc(NC(=O)c3csc(Nc4ccc(OC(F)(F)F)cc4)n3)sc2c1,C09240101_decoy,HS90A,Decoy,0.0,-11.037,-5.68,-1.88,-5.783807353891946
O=C(COc1cccc2ccccc12)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12,C09344324_decoy,HS90A,Decoy,0.0,-10.1292,-11.79,-2.27,-10.478724330055256
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1ccc(C)cc1,C09516923_decoy,HS90A,Decoy,0.0,-8.60917,-6.43,-3.67,-6.066355375765641
CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2ccccc2c1,C10245806_decoy,HS90A,Decoy,0.0,-9.92762,-7.15,-2.08,-7.3745317421845025
CCOc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nc3ccccc3n21,C04786439_decoy,HS90A,Decoy,0.0,-9.31856,-10.24,-0.75,-10.203456483713166
Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4cc(C)ccc4C)ccc32)cc1,C13359594_decoy,HS90A,Decoy,0.0,-7.80289,-5.75,-2.27,-5.075214554432259
Cc1ccc(S(=O)(=O)N2CCc3cc(NC(=O)Nc4ccc(C)cc4C)ccc32)cc1,C13359644_decoy,HS90A,Decoy,0.0,-7.15669,-5.81,-3.26,-5.347464159072606
Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4oc5ccccc5c4C)ccc3o2)c1,C01413844_decoy,HS90A,Decoy,0.0,-10.4572,-10.8,-1.21,-9.539026031840988
CC(C)c1ccccc1OCC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21,C13988798_decoy,HS90A,Decoy,0.0,-8.24098,-7.1,-6.18,-7.625729136040116
Cc1cccc(Nc2nnc(SCc3nc4ccc(Cl)cc4c(=O)[nH]3)s2)c1C,C15816936_decoy,HS90A,Decoy,0.0,-9.15425,-9.68,-2.7,-6.596956638975442
Cc1cccc(NC(=O)c2sc(-n3nc(C)c(Cc4ccccc4)c3O)nc2C)c1C,C15858745_decoy,HS90A,Decoy,0.0,-8.84364,-9.75,-2.37,-7.75075275630144
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)C2=O,C15927682_decoy,HS90A,Decoy,0.0,-8.44925,-5.75,-1.26,-4.304053320416268
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(OCCc4ccccc4)cc3[C@@H]3C=CC[C@@H]23)c1,C20709861_decoy,HS90A,Decoy,0.0,-9.70312,-7.86,-2.08,-7.858083254786401
COC(=O)c1sccc1NC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(C)cc1,C20860355_decoy,HS90A,Decoy,0.0,-9.56702,-7.64,-0.89,-8.271370312499522
CCc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC2,C21708446_decoy,HS90A,Decoy,0.0,-8.71717,-5.33,-0.94,-5.3304910014181806
O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(NC(=O)c2cccs2)c1,C22021182_decoy,HS90A,Decoy,0.0,-9.02663,-10.09,-3.77,-7.69639410127516
C[C@@H]1CC(=O)c2c(Nc3cccc(C(F)(F)F)c3)nn(-c3nc4ccccc4[nH]3)c2C1,C22456747_decoy,HS90A,Decoy,0.0,-8.67854,-8.58,-0.75,-7.859771958513953
CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3cccc(Cl)c3)cc21,C22510168_decoy,HS90A,Decoy,0.0,-9.32286,-5.67,-1.33,-5.985638203990885
CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2,C23118789_decoy,HS90A,Decoy,0.0,-9.72699,-5.53,-1.29,-6.461168934936974
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(SC(F)(F)F)cc2)C1=O,C24642252_decoy,HS90A,Decoy,0.0,-8.49807,-7.53,-2.47,-6.735891930253134
Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)/C=C/c2ccccc2)cc1C,C27019984_decoy,HS90A,Decoy,0.0,-7.71412,-5.86,-1.25,-5.652814628792213
COc1ccc2c[nH]c(=O)c(-c3nc4ccccn4c3Nc3cccc(C(F)(F)F)c3)c2c1,C09308202_decoy,HS90A,Decoy,0.0,-8.50058,-11.93,-2.08,-9.709361396997997
COc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C,C33790399_decoy,HS90A,Decoy,0.0,-9.60833,-5.12,-1.62,-6.1627998668964725
COC(=O)[C@@H]1[C@H]2NC(=S)N(c3cccc(C)c3)[C@]1(C)Oc1c(O)cc(C(C)(C)C)cc12,C36075319_decoy,HS90A,Decoy,0.0,-9.52127,-4.95,-0.87,-6.42182923952852
O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1ccc(Cl)s1,C21034467_decoy,HS90A,Decoy,0.0,-10.2298,-8.82,-1.89,-11.020494818509189
Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccc(C(C)(C)C)cc4)ccc32)o1,C38659198_decoy,HS90A,Decoy,0.0,-8.89517,-6.16,-3.47,-5.325834077020069
CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1,C38678081_decoy,HS90A,Decoy,0.0,-7.45298,-5.47,-0.41,-4.61783683283903
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1,C38686972_decoy,HS90A,Decoy,0.0,-7.94693,-10.99,-0.58,-7.519993674810121
Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3ccc(F)cc3)oc2c1,C38688051_decoy,HS90A,Decoy,0.0,-8.88349,-11.32,-1.12,-7.915550533418394
Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3ccc(F)cc3)oc2c1,C38688053_decoy,HS90A,Decoy,0.0,-8.68457,-8.2,-1.77,-7.362599060124425
Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3cccc(F)c3)oc2c1,C38700486_decoy,HS90A,Decoy,0.0,-8.71561,-11.3,-0.15,-7.875068095742679
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc21,C38707998_decoy,HS90A,Decoy,0.0,-10.4341,-5.29,-1.9,-6.372366665335745
CC(C)(C)c1cc(/C=N/NC(=O)[C@@H]2C=C(c3cccs3)N=N2)cc(C(C)(C)C)c1O,C38814665_decoy,HS90A,Decoy,0.0,-11.6939,-8.75,-2.61,-9.285564768676204
Cc1cccc(Nc2cc(Nc3cccc(C(=O)N4CCC[C@@H]5CCCC[C@@H]54)c3)ncn2)c1,C39301214_decoy,HS90A,Decoy,0.0,-9.02428,-5.79,-2.77,-5.617363528174803
CC(C)c1ccc([C@@H](C)NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1,C36730592_decoy,HS90A,Decoy,0.0,-9.64488,-6.42,-2.02,-6.2374569204094525
Cc1ccc(-n2c(N/N=C/c3ccc(O)cc3)nc3c(c2=O)C(C)(C)Cc2ccccc2-3)cc1,C40033291_decoy,HS90A,Decoy,0.0,-9.38943,-6.87,-1.16,-6.528617074943731
CCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1C)=C(C)N2,C40982582_decoy,HS90A,Decoy,0.0,-10.2805,-8.22,-0.1,-9.440790170674983
CCCSc1nc2n(n1)[C@@H](c1ccccc1F)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,C41021178_decoy,HS90A,Decoy,0.0,-9.31377,-7.8,-1.77,-7.857749601072748
O=C(Nc1nc2cc3sc(NC(=O)C4CCCCC4)nc3cc2s1)C1CCCCC1,C59349883_decoy,HS90A,Decoy,0.0,-12.2743,-5.74,-6.89,-6.202983797756321
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(NC2CCCCC2)cc1,C60331664_decoy,HS90A,Decoy,0.0,-9.07272,-10.43,-2.14,-7.444228564810738
Cc1ccc2nc(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2c1,C06566834_decoy,HS90A,Decoy,0.0,-9.69408,-9.32,-2.67,-8.33920721976574
CCSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2,C17316837_decoy,HS90A,Decoy,0.0,-10.9711,-5.05,-0.38,-6.38235839863653
CC(C)CC1=C[C@@H]([C@@H]2NN[C@H]3SC(Cc4ccc(-c5ccccc5)cc4)=NN32)N=N1,C39950814_decoy,HS90A,Decoy,0.0,-9.25245,-8.48,-2.26,-7.4807240198951614
Cc1ccccc1COc1cccc([C@H]2C(C#N)=C(N)OC3=NN=C(c4ccccc4)[C@@H]32)c1,C00622873_decoy,HS90A,Decoy,0.0,-8.4055,-11.53,-3.49,-9.715982266532308
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1,C00705790_decoy,HS90A,Decoy,0.0,-8.73762,-5.68,0.04,-5.809873648326775
C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)NC1CCCCC1,C04285873_decoy,HS90A,Decoy,0.0,-10.336,-9.81,-0.85,-10.244341667984358
Cc1ccc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1,C04285928_decoy,HS90A,Decoy,0.0,-9.86932,-10.07,-2.79,-10.491650973839088
O=C(CSc1nc2ccccc2[nH]1)NN=C1c2ccccc2-c2ccccc21,C00844741_decoy,HS90A,Decoy,0.0,-9.41139,-11.73,-0.82,-15.54144560409978
O=C(Nc1ccccc1F)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1,C03661504_decoy,HS90A,Decoy,0.0,-8.48184,-10.14,-1.33,-7.511239976359247
CSc1ccccc1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1,C02725337_decoy,HS90A,Decoy,0.0,-8.29659,-8.26,-2.09,-8.025345507850732
CCC(C)(C)Nc1c(-c2cc3cc(C)ccc3[nH]c2=O)nc2ccc(Cl)cn12,C01330267_decoy,HS90A,Decoy,0.0,-8.20558,-5.77,-3.25,-5.412431502903135
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl,C07782297_decoy,HS90A,Decoy,0.0,-8.65457,-5.35,-2.09,-4.883691609122007
CC(=O)Nc1s/c(=N\N=C\c2cccs2)[nH]c1-c1ccc(C)cc1,C08743531_decoy,HS90A,Decoy,0.0,-9.74629,-5.09,-2.19,-5.312520131053036
O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc2c(ccc3ccccc32)s1,C14343348_decoy,HS90A,Decoy,0.0,-9.53617,-8.67,-2.0,-11.845466482413563
Cc1cc(O)c(C(C)C)cc1/N=C1\NC(=O)S\C1=C/c1ccc(N(C)C)cc1,C15057216_decoy,HS90A,Decoy,0.0,-9.42203,-5.45,-1.31,-6.246059484489965
C=CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccc(C)cc1O,C16932640_decoy,HS90A,Decoy,0.0,-9.96825,-7.37,-2.57,-7.259074889411613
O=c1[nH]c2ccccc2nc1[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1,C09087158_decoy,HS90A,Decoy,0.0,-8.74408,-10.77,-2.12,-8.823338296004795
O=C1CCCc2nc(NCc3ccccc3)nc(Nc3ccccc3)c21,C22442294_decoy,HS90A,Decoy,0.0,-9.06315,-9.92,-0.58,-8.609291921750362
C[C@H]1CC(=O)c2c(nc(NCc3ccccc3)nc2Nc2ccccc2)C1,C22442570_decoy,HS90A,Decoy,0.0,-8.83494,-10.04,-1.66,-8.194480780413826
Fc1ccc(-c2n[nH]cc2/C=N\Nc2ccnc3cc(Cl)ccc23)cc1,C29763578_decoy,HS90A,Decoy,0.0,-8.08332,-9.93,-2.75,-7.399377554549138
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1C,C31295146_decoy,HS90A,Decoy,0.0,-8.45262,-9.88,-0.83,-10.1095509189415
O=C(NCCC1CCN(C(=O)NC2CCCCC2)CC1)C1CCCCC1,C33125932_decoy,HS90A,Decoy,0.0,-8.43361,-9.05,-3.68,-7.549949378373942
Cc1ccc(C)c(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1,C33127828_decoy,HS90A,Decoy,0.0,-9.64795,-6.86,-2.74,-6.602160640659087
Cc1ccccc1NC(=O)N[C@H](C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)C(C)C,C34934639_decoy,HS90A,Decoy,0.0,-8.20998,-7.7,-1.28,-7.880282183696821
Cc1cc(C)nc(N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1,C36020479_decoy,HS90A,Decoy,0.0,-8.33966,-8.74,-1.87,-9.090630774207082
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1C(=O)NC1CCCCC1,C12638952_decoy,HS90A,Decoy,0.0,-8.79674,-5.72,-2.16,-6.31686899535714
Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@@H](C)C3)c1,C00727182_decoy,HS90A,Decoy,0.0,-10.012,-5.62,-2.11,-6.8940914319648
Cc1ccc(Nc2nc(C(=O)Nc3nc4c(C)cccc4s3)cs2)c(C)c1,C38516527_decoy,HS90A,Decoy,0.0,-11.7169,-4.82,-4.61,-5.34797692778365
CC(C)(C)c1ccc(NC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1,C38568900_decoy,HS90A,Decoy,0.0,-7.67163,-9.05,-2.25,-9.97942852331449
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1,C38649145_decoy,HS90A,Decoy,0.0,-7.43568,-11.5,-0.79,-8.213786348789938
Cc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2)cc1,C38652396_decoy,HS90A,Decoy,0.0,-7.09735,-11.37,-0.84,-9.235231619018716
Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2)c1,C38652399_decoy,HS90A,Decoy,0.0,-6.1682,-10.14,-0.98,-6.746652742682185
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(F)cc1,C38652479_decoy,HS90A,Decoy,0.0,-7.74951,-11.04,0.42,-9.974761462251632
Cc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccs1,C38656145_decoy,HS90A,Decoy,0.0,-7.96885,-8.83,-0.92,-8.062420142640216
O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)Nc1ccccc1Cl,C38709045_decoy,HS90A,Decoy,0.0,-6.98316,-5.89,-2.59,-4.768886568701736
CC(C)(C)C(=O)N1CCc2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc21,C38709190_decoy,HS90A,Decoy,0.0,-8.40939,-6.62,-3.02,-6.035629664728476
CC1(C)[C@H]2CC[C@](C)(O)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@@]2(C)CC[C@@H]1O,C02112441_decoy,HS90A,Decoy,0.0,-8.36394,-7.26,-1.72,-5.567447504488206
C=CCNC(=O)c1oc2c(c1C)/C(=N/Nc1ccccc1)CC(C)(C)C2,C39855802_decoy,HS90A,Decoy,0.0,-8.6679,-9.18,-1.19,-11.008268738276028
O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccccc2s1,C42956883_decoy,HS90A,Decoy,0.0,-8.89522,-8.56,-1.78,-8.121947163621988
CC(C)(C)c1cc(/C=N\NC(=O)c2ccco2)cc(C(C)(C)C)c1O,C48523123_decoy,HS90A,Decoy,0.0,-8.60746,-5.35,-1.4,-5.112154770397888
Oc1ccccc1/C=N/Nc1nc(-c2ccccc2F)nc2ccccc12,C05032945_decoy,HS90A,Decoy,0.0,-10.5873,-10.49,-0.92,-8.673177157078673
CN(c1ccccc1)c1ccc(/C=N/Nc2nc3ccccc3[nH]2)cc1,C05586558_decoy,HS90A,Decoy,0.0,-8.56576,-9.14,-2.13,-7.706566258864969
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1,C57143429_decoy,HS90A,Decoy,0.0,-9.31,-5.75,-3.0,-6.580749570586829
Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1,C57545489_decoy,HS90A,Decoy,0.0,-9.08735,-9.61,-1.19,-11.65436567125761
Oc1c(/C=N/Nc2nc3ccccc3s2)cc2c3c1CCCN3CCC2,C04750627_decoy,HS90A,Decoy,0.0,-9.84759,-8.15,-0.93,-6.3440980155793385
CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1,C03072182_decoy,HS90A,Decoy,0.0,-7.9784,-7.28,-1.12,-6.671927838801906
CCSc1nnc(N/N=C/c2c3ccccc3cc3ccccc23)[nH]1,C59310192_decoy,HS90A,Decoy,0.0,-10.3505,-11.02,-1.09,-9.232942831418455
COc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1OC,C04783928_decoy,HS90A,Decoy,0.0,-8.56024,-5.69,-1.93,-5.242875632571277
Nc1nc(-c2ccccc2)c(/N=N/c2nc(-c3ccccc3)cs2)s1,C04794597_decoy,HS90A,Decoy,0.0,-8.96593,-8.35,-0.64,-7.18641070344796
O=C1COc2c(cccc2NC(=O)[C@@H](c2ccc(Cl)cc2)C2CCCC2)N1,C62508287_decoy,HS90A,Decoy,0.0,-9.42894,-9.93,-0.76,-8.973478772320435
Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccc(C(F)(F)F)cn1,C13123365_decoy,HS90A,Decoy,0.0,-8.52233,-9.19,-0.78,-6.615335505468679
Cc1cccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)c1,C64990573_decoy,HS90A,Decoy,0.0,-7.57448,-6.35,-2.75,-5.150254609070808
O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCc2[nH]c3ccccc3c2C1,C66344459_decoy,HS90A,Decoy,0.0,-9.25476,-6.73,-1.51,-5.952035207429899
Cc1c(Cl)cccc1NC(=O)N1CCC(NC(=O)CC2CCCCC2)CC1,C66951507_decoy,HS90A,Decoy,0.0,-8.97402,-6.5,-2.51,-6.935272432403329
NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C(=O)c2ccccc2)cc1,C01516027_decoy,HS90A,Decoy,0.0,-11.0032,-6.82,-1.93,-6.438335861040035
Cc1ccc(NC(=O)C[C@@]2(C)Nc3ccccc3C(=O)N2c2ccccc2C)c(C)c1,C00717055_decoy,HS90A,Decoy,0.0,-7.83847,-5.39,-1.57,-5.8973069464282615
O=C(Nc1cccc2c1CCCC2)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,C04965534_decoy,HS90A,Decoy,0.0,-8.69094,-5.17,-0.82,-5.317046612752382
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)C)cc1,C00632591_decoy,HS90A,Decoy,0.0,-8.28485,-6.14,-2.11,-6.595698145228874
O=C(Nc1ccc(F)cc1F)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1,C05955512_decoy,HS90A,Decoy,0.0,-8.34292,-10.58,-0.85,-7.905806112631852
Oc1ccccc1-c1nc(N/N=C/c2ccc(F)cc2)cc(-c2ccccc2)n1,C04595789_decoy,HS90A,Decoy,0.0,-9.58564,-7.32,-1.49,-6.751680581865484
O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NC1CCCCCC1,C06916046_decoy,HS90A,Decoy,0.0,-8.93258,-6.35,-1.32,-5.423455216949787
O=C(NC1CCCCCCCCCCC1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,C07448041_decoy,HS90A,Decoy,0.0,-9.32779,-5.81,-1.76,-5.131632380689033
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc(F)cc1,C07778761_decoy,HS90A,Decoy,0.0,-8.6165,-8.76,-0.29,-8.044680394178572
Cc1cc(C)cc(NC(=O)Nc2nc(SCc3ccccc3)ns2)c1,C09614838_decoy,HS90A,Decoy,0.0,-9.97449,-9.16,-1.99,-7.679456927514528
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1O)N2)N1CCCCCC1,C14473988_decoy,HS90A,Decoy,0.0,-8.30137,-8.15,-2.09,-10.984302568370516
O=S(=O)(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1O)N2)N1CCCCCC1,C14473992_decoy,HS90A,Decoy,0.0,-8.7399,-8.69,-1.66,-11.1189903509838
N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(Cl)cc1,C16488844_decoy,HS90A,Decoy,0.0,-8.03866,-4.8,-0.08,-4.283377965432437
COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC,C01260309_decoy,HS90A,Decoy,0.0,-8.27236,-5.38,-0.55,-5.573958721756076
CCCCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1,C19797668_decoy,HS90A,Decoy,0.0,-8.66945,-5.15,-2.82,-5.612623784882956
CCc1ccccc1Nc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](C)C2,C22443235_decoy,HS90A,Decoy,0.0,-9.22682,-9.85,-0.72,-10.045186232436649
CCc1ccc(Nc2nc3c(c(Nc4ccc(C)cc4)n2)C(=O)CCC3)cc1,C22444776_decoy,HS90A,Decoy,0.0,-10.4005,-10.86,-1.13,-10.128364480512662
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(OCc3ccccc3)c2)[C@@H]2CCCC=C12,C23379413_decoy,HS90A,Decoy,0.0,-9.26925,-5.84,-1.52,-5.763650881671501
Cc1[nH]c2ccccc2c1/C=N/Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12,C25501676_decoy,HS90A,Decoy,0.0,-11.2672,-10.54,-0.36,-9.757015263544638
O=C(NC1CCCC1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1,C33025149_decoy,HS90A,Decoy,0.0,-8.93505,-10.68,-3.06,-10.048007332732531
O=C(NC1CCCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1,C33035754_decoy,HS90A,Decoy,0.0,-9.0922,-10.92,-4.24,-11.967655124704114
Cc1ccccc1NC(=O)Nc1cccc(-c2cn3cc(Br)ccc3n2)c1,C35156189_decoy,HS90A,Decoy,0.0,-9.62818,-7.86,-1.44,-6.966453934715354
Cc1ccccc1NC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1,C35559265_decoy,HS90A,Decoy,0.0,-8.39566,-7.67,-1.19,-8.97425807517379
O=C(Nc1ccccc1)[C@@H]1CC[C@H](c2ccc(F)cc2)N(C(=O)Nc2ccccc2)C1,C37546172_decoy,HS90A,Decoy,0.0,-8.345,-6.18,-3.43,-6.414731431217032
O=C(Nc1ccccc1)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)Nc2ccccc2)C1,C37546174_decoy,HS90A,Decoy,0.0,-8.40156,-9.42,-2.95,-8.802497550763357
CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4)c(=O)c3c1O)C=CC(C)(C)O2,C00538127_decoy,HS90A,Decoy,0.0,-9.98945,-8.23,-0.93,-8.612583677365407
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1cccc(Cl)c1,C38651138_decoy,HS90A,Decoy,0.0,-7.97614,-10.12,-0.21,-11.46992274453756
N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3F)ccc2[C@H]1c1cccc(Cl)c1,C38651241_decoy,HS90A,Decoy,0.0,-7.8338,-9.17,-1.33,-5.346732074645214
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(Cl)cc1,C38651299_decoy,HS90A,Decoy,0.0,-7.54376,-10.6,-2.29,-5.796779334995867
N#CC1=C(N)Oc2cc(OC(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(Cl)cc1,C38651300_decoy,HS90A,Decoy,0.0,-7.61392,-11.0,-0.29,-8.268289531130568
N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc(Cl)cc1,C38651334_decoy,HS90A,Decoy,0.0,-9.86521,-8.86,-0.46,-9.091811729104238
O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)Nc1ccccc1Cl,C38694449_decoy,HS90A,Decoy,0.0,-6.84243,-8.13,-1.47,-5.3024519303546285
O=C(Oc1cccc([C@H]2N=C(O)c3c(sc4c3CCCC4)N2)c1)c1cccs1,C35668875_decoy,HS90A,Decoy,0.0,-11.9927,-9.46,-1.96,-10.797433255724098
O=C1c2ccccc2N[C@H](SCc2nc3ccccc3[nH]2)N1c1ccc(Cl)cc1,C39709521_decoy,HS90A,Decoy,0.0,-9.05537,-8.71,-0.49,-8.805234219013467
Cc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)[C@@H]2N=NC(=S)N2)cc1,C39736932_decoy,HS90A,Decoy,0.0,-9.74465,-7.92,-2.18,-8.641803651063642
CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@]1(C)/C(=N/Nc1ccccc1)C2=O,C08236891_decoy,HS90A,Decoy,0.0,-8.85593,-7.27,-1.18,-6.727884936492059
O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1,C40011738_decoy,HS90A,Decoy,0.0,-8.12739,-7.77,-1.95,-7.565225103604522
CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C1=C(CCCC1=O)N2,C08326855_decoy,HS90A,Decoy,0.0,-9.2792,-7.97,-1.39,-8.063096314326398
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1ccc(F)cc1,C17014642_decoy,HS90A,Decoy,0.0,-9.51886,-6.16,-0.68,-5.855803779129493
CCn1c2ccccc2c2cc(N[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)ccc21,C23865525_decoy,HS90A,Decoy,0.0,-9.36759,-10.47,-2.07,-8.959766195816533
Cc1ccc(NC(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)c(C)c1,C59247859_decoy,HS90A,Decoy,0.0,-9.05209,-5.61,-1.1,-5.881888783726997
CC[NH+](CC)c1ccc([C@H]2Nc3c(F)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1,C14461534_decoy,HS90A,Decoy,0.0,-7.66104,-5.18,-1.18,-5.71127829028314
CC(C)(C)C1=NN=C2OC(N)=C(C#N)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]21,C05051886_decoy,HS90A,Decoy,0.0,-7.8603,-4.7,0.28,-5.031206846154625
Cc1ccc(-c2cs/c(=N/C(=S)NC(=O)/C=C/c3ccco3)[nH]2)cc1,C09318287_decoy,HS90A,Decoy,0.0,-9.49261,-8.35,-0.83,-7.47367567473469
O=C(NC1CCCC1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1,C35514322_decoy,HS90A,Decoy,0.0,-10.3388,-10.95,-3.73,-8.727843931849256
Cc1ccc(NC(=O)CN2C(=O)C=C(c3cccs3)Nc3ccccc32)c(Cl)c1,C35400990_decoy,HS90A,Decoy,0.0,-11.1339,-8.32,-1.65,-8.224391453375448
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)C=C(c2cccs2)Nc2ccccc21,C64868507_decoy,HS90A,Decoy,0.0,-9.71285,-8.19,-3.22,-8.763580064543639
C[C@@H](CC(=O)Nc1nc2cc(F)c(F)cc2s1)NC(=O)C1CCCCC1,C66354267_decoy,HS90A,Decoy,0.0,-9.46631,-9.23,-1.93,-7.615254320656332
C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(NC(=O)CC2CCCCC2)CC1,C66908022_decoy,HS90A,Decoy,0.0,-10.3926,-5.36,-3.63,-5.948206219979342
CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCC(NC(=O)CC2CCCC2)CC1,C66978403_decoy,HS90A,Decoy,0.0,-8.98056,-5.14,-5.37,-6.363691088945172
Cc1cccc(C)c1NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1,C02725360_decoy,HS90A,Decoy,0.0,-7.46683,-7.75,-0.75,-7.052505124301958
Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)o1,C00872429_decoy,HS90A,Decoy,0.0,-9.16636,-9.13,-0.32,-7.262185034925381
CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1,C01346924_decoy,HS90A,Decoy,0.0,-8.65169,-5.46,-1.34,-4.872517672316971
Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1,C01347004_decoy,HS90A,Decoy,0.0,-8.34837,-5.2,-2.54,-5.416664181477392
O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)C1CCCC1,C05106968_decoy,HS90A,Decoy,0.0,-9.279,-5.04,-1.08,-5.161509781790124
Cc1cc(Cl)ccc1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1,C01470911_decoy,HS90A,Decoy,0.0,-7.40537,-6.06,-1.98,-5.182362676527665
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)Nc2ccccc2)c1C,C01011048_decoy,HS90A,Decoy,0.0,-7.44464,-7.3,-3.0,-6.250950419586546
N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1,C16478265_decoy,HS90A,Decoy,0.0,-7.84494,-6.74,-0.48,-5.913749462388088
O=C(C[C@@H]1NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1,C16778858_decoy,HS90A,Decoy,0.0,-7.22568,-9.59,-1.25,-7.12602684053336
Cc1ccc(S(=O)(=O)N/N=C2\CC[C@@]3(O)C[C@]2(C)CC[C@H]2[C@@H]3CC2(C)C)cc1,C16958582_decoy,HS90A,Decoy,0.0,-9.83758,-7.61,-1.69,-6.738152465666866
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1[nH]nc2c1CCc1ccccc1-2,C06554214_decoy,HS90A,Decoy,0.0,-9.41529,-5.5,-1.08,-5.146934833400836
CCCCc1n[nH]c2c1CN(C(=O)[C@H]1Nc3ccccc3[C@H]3C=CC[C@@H]13)CC2,C19742708_decoy,HS90A,Decoy,0.0,-9.03589,-11.3,-2.36,-11.854375049146034
CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1,C21721921_decoy,HS90A,Decoy,0.0,-7.34215,-6.11,-1.85,-5.421356541528867
Cc1ccccc1Nc1nc(Nc2ccccc2)nc2c1C(=O)C[C@@H](C)C2,C22443220_decoy,HS90A,Decoy,0.0,-9.54568,-8.33,-1.22,-8.114458082803065
CNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3cccc(SC)c3)c2)C1,C33035987_decoy,HS90A,Decoy,0.0,-9.74499,-6.66,-1.6,-6.287531788182728
CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)C1,C33264569_decoy,HS90A,Decoy,0.0,-8.31489,-7.79,-2.07,-7.855788876779242
CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2,C05860957_decoy,HS90A,Decoy,0.0,-10.8277,-5.39,-0.51,-6.015074353543856
O=C(N/N=C\c1c[nH]c2ccccc12)c1cc2cc(Br)ccc2o1,C36476578_decoy,HS90A,Decoy,0.0,-8.50618,-10.24,-2.68,-6.615461103878806
Cc1ccc(Cc2c(C)nc(Nc3cccc4ncccc34)[nH]c2=O)c(C)c1,C25497413_decoy,HS90A,Decoy,0.0,-9.03687,-10.11,-0.83,-8.721131671230129
O=C1CCCC2=C1[C@H](c1ccco1)Nc1ccc(C(=O)c3ccccc3)cc1N2,C05092522_decoy,HS90A,Decoy,0.0,-8.16212,-6.85,-1.57,-4.857684800101365
O=[N+]([O-])c1cccc([C@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)c1,C25461379_decoy,HS90A,Decoy,0.0,-8.53948,-10.37,-2.35,-8.593555896791118
CC(C)(C)C(=O)N1CCc2ccc(NC(=O)Nc3ccc(F)cc3)cc21,C38943736_decoy,HS90A,Decoy,0.0,-7.62835,-8.53,-4.25,-6.741711056529718
Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1,C38943746_decoy,HS90A,Decoy,0.0,-6.79509,-8.74,-2.64,-8.03178063672101
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=NN=C(c4ccc(F)cc4)[C@@H]32)cc1,C00664599_decoy,HS90A,Decoy,0.0,-8.10811,-8.99,0.26,-8.355383183497198
Cc1ccc(SCC2=NN=C3OC(N)=C(C#N)[C@@H]([C@H]4CC=CCC4)[C@@H]23)cc1,C33709757_decoy,HS90A,Decoy,0.0,-9.22836,-8.54,-2.93,-9.9205587948762
CC1CCN(C(=O)[C@H](C)Sc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)CC1,C21228561_decoy,HS90A,Decoy,0.0,-9.14643,-8.85,-4.32,-10.058275511059518
CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)cc(C)c1,C41076940_decoy,HS90A,Decoy,0.0,-8.51891,-6.46,-2.64,-6.741805160524406
Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1ccccc1-c1ccccc1)O2,C41548166_decoy,HS90A,Decoy,0.0,-7.80873,-10.06,-0.44,-8.98754578018186
C[C@@H]1CCCC[C@@H]1Nc1cc(=O)n(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]1,C44021295_decoy,HS90A,Decoy,0.0,-7.84315,-5.31,-4.95,-5.130284969644953
Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1,C47239269_decoy,HS90A,Decoy,0.0,-9.04333,-10.2,-1.6,-9.672681964204504
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)NCc3cccs3)C2)c1,C49425773_decoy,HS90A,Decoy,0.0,-9.7862,-8.87,-2.88,-8.457727612024525
O=C1CCCC2=C1[C@H](c1ccc(F)cc1)N=C(Nc1nc3ccccc3s1)N2,C05906237_decoy,HS90A,Decoy,0.0,-8.83753,-6.84,-0.68,-6.105988204919484
O=C1Nc2ccccc2CC[C@@H]1Sc1nc2ccc(OC(F)F)cc2[nH]1,C20745931_decoy,HS90A,Decoy,0.0,-8.79424,-10.87,-0.96,-9.195898075669591
CNC(=O)c1cccc(NC(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)c1C,C51611876_decoy,HS90A,Decoy,0.0,-9.31456,-10.68,-0.64,-10.806852806809776
Cc1ccc(S(C)(=O)=O)c(NC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1,C56768864_decoy,HS90A,Decoy,0.0,-8.37788,-9.53,-2.05,-8.424539861042504
CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)N1CCC(C(=O)NC2CC2)CC1,C56834243_decoy,HS90A,Decoy,0.0,-9.36239,-4.54,-1.18,-5.959677183695966
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1c[nH]c2ccccc12,C59397965_decoy,HS90A,Decoy,0.0,-8.74698,-10.25,-2.09,-10.974368897148794
Cc1c(Cc2ccccc2)sc(N2C(=O)c3ccccc3C2=O)c1C(N)=O,C59472730_decoy,HS90A,Decoy,0.0,-8.83205,-8.82,-0.33,-10.328367718142262
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccccc1,C59515718_decoy,HS90A,Decoy,0.0,-8.19297,-6.09,-1.44,-5.218595627397697
Cc1c(/C=N/NC(=O)Nc2cccc(Br)c2)c2ccccc2n1C,C59679650_decoy,HS90A,Decoy,0.0,-8.59383,-5.48,-5.23,-4.938738428492255
CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)c(C)c1,C61768236_decoy,HS90A,Decoy,0.0,-7.92995,-6.8,-0.74,-7.263534965892496
O=C(NC1CCCCC1)C1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1,C62377381_decoy,HS90A,Decoy,0.0,-8.33592,-6.7,-2.54,-6.695623894421303
CC(C)(C)C1=NN=C2OC(N)=C(C#N)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]21,C04427000_decoy,HS90A,Decoy,0.0,-7.97629,-7.6,0.32,-6.793494649747056
CC(C)c1ccc([C@H]2C(C#N)=C(N)OC3=NN=C(c4ccccc4)[C@H]32)cc1,C05464102_decoy,HS90A,Decoy,0.0,-7.65253,-6.02,-1.23,-5.750272051401306
Cc1ccc(-c2cs/c(=N/C(=S)NC(=O)c3ccco3)[nH]2)cc1,C09088161_decoy,HS90A,Decoy,0.0,-7.62542,-5.04,-3.34,-4.357197708340598
Cc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccccc3)CC2)c(C)c1,C35530012_decoy,HS90A,Decoy,0.0,-8.37078,-10.62,-0.57,-9.72545583356393
Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1,C64847747_decoy,HS90A,Decoy,0.0,-9.00624,-8.2,-1.94,-6.946568885661524
Cc1ccc(NC(=O)N2CCC([C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)cc1,C64847760_decoy,HS90A,Decoy,0.0,-7.46935,-8.02,-2.04,-7.707089590515205
O=C(NNc1ccc(F)cc1)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1,C66606840_decoy,HS90A,Decoy,0.0,-7.9137,-5.88,-1.46,-5.488418391042445
Cc1cc(F)ccc1NC(=O)N1CCC(NC(=O)CC2CCCCC2)CC1,C66951775_decoy,HS90A,Decoy,0.0,-8.8323,-8.0,-2.46,-6.593049807280702
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1,C01438031_decoy,HS90A,Decoy,0.0,-8.95184,-6.35,0.12,-5.381926201751273
COc1ccccc1NC(=O)NC1(C(=O)N2CCc3ccccc3C2)CCCCC1,C04981963_decoy,HS90A,Decoy,0.0,-7.96829,-8.11,-3.08,-8.10455526610217
Cc1nc(C#N)c(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1,C06861393_decoy,HS90A,Decoy,0.0,-9.7586,-7.35,-1.84,-7.379905694604478
C[C@H](Sc1nc2ccccc2o1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,C08447901_decoy,HS90A,Decoy,0.0,-9.07745,-8.6,-3.65,-8.833732450791398
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c(C)c1,C08710330_decoy,HS90A,Decoy,0.0,-8.49143,-10.82,-2.49,-10.327737634654843
NC(=O)[C@H]1CCCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12,C08750715_decoy,HS90A,Decoy,0.0,-10.2288,-5.05,-2.18,-6.132993748040354
Cc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(C(C)(C)C)cc3)OC2=O)cc1,C08839241_decoy,HS90A,Decoy,0.0,-8.89662,-10.46,-2.64,-7.768348126670226
O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)NCC12CC3CC(CC(C3)C1)C2,C12363183_decoy,HS90A,Decoy,0.0,-8.70857,-7.72,-3.43,-6.198205246279279
CCOC(=O)c1c(C)[nH]c(NC(=O)C=C2N(C)c3ccccc3C2(C)C)c1C,C13113411_decoy,HS90A,Decoy,0.0,-8.31231,-7.63,-2.91,-7.440248443084171
C=CCn1/c(=N/C(=O)c2ccc(C)cc2)sc2cc(S(N)(=O)=O)ccc21,C04191136_decoy,HS90A,Decoy,0.0,-8.91749,-6.83,-1.5,-5.020936550070598
O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cccc(OC(F)(F)F)c1,C14608251_decoy,HS90A,Decoy,0.0,-6.2277,-5.76,-1.95,-4.072636165303299
Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)NC1CCCCC1,C15669361_decoy,HS90A,Decoy,0.0,-9.98548,-5.65,-0.63,-5.574280481850067
O=C(NC1CCCCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2,C20479584_decoy,HS90A,Decoy,0.0,-8.87456,-8.98,-2.82,-7.367744547351644
CC[C@H](C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)N2,C20710075_decoy,HS90A,Decoy,0.0,-9.19022,-5.2,-0.96,-6.581945821636328
COc1ccc(/C=N/Nc2nc(=O)c3c([nH]2)-c2ccccc2CC32CCCCC2)cc1,C09172461_decoy,HS90A,Decoy,0.0,-11.0922,-7.81,-2.2,-7.286701885097431
O=C(Nc1ccccc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1,C22504966_decoy,HS90A,Decoy,0.0,-7.91347,-8.47,-3.07,-7.417673471202318
Cc1ccc(-c2nc(CSc3nnc(C4CCCCC4)n3N)co2)cc1,C22987674_decoy,HS90A,Decoy,0.0,-10.3099,-8.93,-2.19,-7.179147103974668
O=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,C24876919_decoy,HS90A,Decoy,0.0,-8.69838,-10.94,-2.01,-10.588836525410834
O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1)Nc1ccc(Cl)cc1,C27025205_decoy,HS90A,Decoy,0.0,-7.4818,-9.54,-0.8,-8.16700541634583
Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc(C)c2)cc1,C27663308_decoy,HS90A,Decoy,0.0,-7.45894,-10.62,-0.03,-11.41504773142306
COC(=O)c1sc2c(c1NC(=O)Nc1ccc(C)cc1OC)CCCC2,C34773337_decoy,HS90A,Decoy,0.0,-9.11622,-8.6,-1.05,-8.664514289549166
O=c1[nH]c(CSc2nc3ccc(Cl)cc3[nH]2)nc2scc(-c3ccco3)c12,C24105310_decoy,HS90A,Decoy,0.0,-10.956,-10.58,-1.58,-9.242532709683568
O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccc2I)c1,C36062198_decoy,HS90A,Decoy,0.0,-8.18212,-8.54,-2.41,-6.476321302919211
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NNc3nc(C)cc(C)n3)c2c1,C37137079_decoy,HS90A,Decoy,0.0,-8.15754,-10.02,-1.7,-7.908683688558068
C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccccc3Cl)cc21,C38707991_decoy,HS90A,Decoy,0.0,-9.64499,-6.72,-2.79,-6.239926566058474
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2,C38709301_decoy,HS90A,Decoy,0.0,-6.58554,-7.35,-3.83,-5.143280831933812
CC(C)C1=C[C@H]([C@@H]2NN[C@H]3SC(c4ccc(-c5ccccc5)cc4)=NN32)N=N1,C38742502_decoy,HS90A,Decoy,0.0,-9.9601,-8.07,-0.14,-5.815144716287769
CC(C)C1=C[C@H]([C@@H]2NN[C@H]3SC(Cc4ccc5c(c4)CCCC5)=NN32)N=N1,C38742541_decoy,HS90A,Decoy,0.0,-10.2942,-5.67,-3.0,-5.890254452123463
S[C@H]1NN[C@H]([C@@H]2C=C(c3ccccc3)N=N2)N1/N=C/c1cccc(Cl)c1Cl,C38965516_decoy,HS90A,Decoy,0.0,-11.5669,-9.21,-0.44,-9.961042204848413
N#CC1=C(N)OC2=NN=C(c3ccc(F)cc3)[C@@H]2[C@@H]1c1ccc(OC2CCCC2)cc1,C08382677_decoy,HS90A,Decoy,0.0,-9.82697,-9.57,0.38,-10.97999603420934
CC1(C)[C@]2(C(=O)NCc3ccco3)CC[C@@]1(C)/C(=N/Nc1ccccc1)C2=O,C08236885_decoy,HS90A,Decoy,0.0,-7.60269,-7.34,-4.5,-8.091669647468624
Cc1c(C(=O)Nc2ccccn2)oc2c1/C(=N/Nc1ccccc1)CCC2,C40824259_decoy,HS90A,Decoy,0.0,-9.08031,-7.23,-3.86,-6.350855847213087
CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(C(C)(C)C)cc2)n2ncnc2N1,C41023087_decoy,HS90A,Decoy,0.0,-10.0461,-9.39,-0.02,-9.820041278972733
CC(C)(C)C(=O)Nc1cccc(NC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1,C44011338_decoy,HS90A,Decoy,0.0,-8.59138,-6.02,-1.33,-6.048322968010337
N#Cc1cccc(N(C(=O)NCCc2nc3ccccc3[nH]2)C2CCCC2)c1,C45235388_decoy,HS90A,Decoy,0.0,-8.63457,-9.29,-1.39,-9.658064054056323
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1,C04545550_decoy,HS90A,Decoy,0.0,-9.65453,-5.25,-0.74,-5.790042000838025
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1,C04545692_decoy,HS90A,Decoy,0.0,-6.94164,-5.11,-1.45,-4.052980393849409
Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1,C56543023_decoy,HS90A,Decoy,0.0,-9.2985,-8.11,-1.97,-9.137514837901952
CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2F)C1,C56560119_decoy,HS90A,Decoy,0.0,-8.13332,-6.99,-0.91,-5.866273730700747
CCN(C(=O)Nc1ccc(C(=O)NC)cc1C)[C@@H](C)c1cc2ccccc2o1,C56648496_decoy,HS90A,Decoy,0.0,-8.59512,-4.59,-1.75,-5.9870968981985175
CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(N2CCCS2(=O)=O)c1,C57520206_decoy,HS90A,Decoy,0.0,-8.1422,-8.02,-2.81,-6.84414218749363
O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1,C58885782_decoy,HS90A,Decoy,0.0,-9.27451,-9.73,-1.32,-7.390760432802776
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1F,C58914541_decoy,HS90A,Decoy,0.0,-7.37967,-10.15,-0.83,-8.056334943405899
CCOC(=O)C1=C(N)N2C(=O)c3ccccc3SC2=C(C#N)[C@@H]1c1ccc(C)cc1,C59293640_decoy,HS90A,Decoy,0.0,-7.68952,-5.29,-2.02,-5.113112118489652
Cc1ccc(NC(=O)[C@@H]2[C@H](C)Nc3ncnn3[C@@H]2c2ccc(C(C)C)cc2)c(C)c1,C59669764_decoy,HS90A,Decoy,0.0,-7.92573,-5.84,-2.23,-5.642166615086494
N#CC1=C(N)OC2=NN=C(c3ccccc3)[C@H]2[C@H]1c1ccc(OC(F)(F)F)cc1,C06720055_decoy,HS90A,Decoy,0.0,-6.75574,-5.28,-0.11,-4.444139871042354
CC(C)CC1=C[C@@H]([C@@H]2NN[C@H]3SC(/C=C/c4ccccc4)=NN32)N=N1,C39953331_decoy,HS90A,Decoy,0.0,-9.61432,-8.99,-2.14,-8.199366433964935
Cc1c(F)cccc1NC(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1,C64611075_decoy,HS90A,Decoy,0.0,-9.60939,-7.81,-4.2,-7.065184595848539
O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)N[C@H](c1ccccc1)C1CC1,C66956473_decoy,HS90A,Decoy,0.0,-10.1972,-5.85,-2.58,-6.216347468810911
O=C(NCCc1cc(F)cc2c1OCOC2)N1CC[C@H](Nc2ccccc2)C1,C67626730_decoy,HS90A,Decoy,0.0,-8.59046,-10.03,-1.22,-8.819401174232503
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2nnc(-c3cccc(C)c3)s2)cc1,C04573092_decoy,HS90A,Decoy,0.0,-9.4618,-7.29,-4.15,-6.716006661260547
CCCCSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc(Cl)cc21,C02104300_decoy,HS90A,Decoy,0.0,-9.43531,-9.09,-3.77,-10.733935350828276
Cc1c(NC(=S)NC(=O)c2oc3ccccc3c2C)cccc1-c1nc2ncccc2o1,C01175619_decoy,HS90A,Decoy,0.0,-9.72225,-10.12,-2.12,-13.49342148517999
CCSc1nc(NNC(=O)c2ccco2)c2c3c(sc2n1)CO[C@](C)(CC)C3,C05158312_decoy,HS90A,Decoy,0.0,-10.4604,-6.28,-0.84,-8.010172242022767
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1,C09019315_decoy,HS90A,Decoy,0.0,-8.13058,-9.43,-1.55,-10.89307181855968
O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccco1)Nc1cc(Cl)cc(Cl)c1,C10384436_decoy,HS90A,Decoy,0.0,-8.73363,-9.34,-1.84,-8.482607011117913
CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1,C11854527_decoy,HS90A,Decoy,0.0,-11.0048,-9.03,-1.4,-9.753039422321644
Cc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc(-c3ccccc3)cc(=O)[nH]2)cc1,C11855240_decoy,HS90A,Decoy,0.0,-9.35486,-10.47,-3.12,-8.481876148927478
CC(C)c1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(Cl)cc2)n1,C11855629_decoy,HS90A,Decoy,0.0,-10.587,-6.75,-1.92,-8.780591733139984
CCc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CC(C)(C)CC3=O)cc1,C12413357_decoy,HS90A,Decoy,0.0,-9.04314,-4.95,-1.74,-5.141787865492962
O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)Nc1ccccc1Oc1ccccc1,C03275368_decoy,HS90A,Decoy,0.0,-9.38177,-9.34,-0.9,-9.14694529684067
COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1,C13359666_decoy,HS90A,Decoy,0.0,-7.74143,-8.51,-3.93,-11.8266275388288
O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCN(c2nc3ccccc3o2)CC1,C14050014_decoy,HS90A,Decoy,0.0,-10.3842,-8.47,-0.61,-6.187848374675804
C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2,C14470885_decoy,HS90A,Decoy,0.0,-9.38739,-7.34,-2.98,-7.897353219928204
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2,C14472924_decoy,HS90A,Decoy,0.0,-8.76178,-5.48,-2.98,-5.68218304406272
CCOc1ccc(NC(=O)c2cccc3c2N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]2CC=C[C@H]32)cc1,C14478183_decoy,HS90A,Decoy,0.0,-8.92427,-11.6,-3.37,-9.437498710859304
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3[C@H]3C=CC[C@@H]32)cc1,C14550680_decoy,HS90A,Decoy,0.0,-10.2499,-8.42,-3.29,-8.447963705393853
CC(C)=CCN1C(=O)N/C(=C\c2c(-c3ccccc3)nn(-c3cccc(C)c3C)c2O)C1=O,C16534120_decoy,HS90A,Decoy,0.0,-8.9327,-10.48,-3.75,-9.233151827036489
CC(C)NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2,C20705977_decoy,HS90A,Decoy,0.0,-9.19272,-5.57,-2.27,-5.745438183578249
Cc1ccccc1-c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)n1C,C21123405_decoy,HS90A,Decoy,0.0,-7.72149,-5.9,-2.92,-5.816084795363337
CCOC(=O)c1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12,C21944618_decoy,HS90A,Decoy,0.0,-7.67442,-6.15,-0.95,-5.416238218498219
O=C1C[C@@H](C(F)(F)F)N(C(=O)CSc2nc(CC3CCCC3)n[nH]2)c2ccccc2N1,C22286889_decoy,HS90A,Decoy,0.0,-8.29565,-9.83,-1.71,-8.932056273576903
COc1ccccc1NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2,C22503776_decoy,HS90A,Decoy,0.0,-7.89205,-9.54,-2.38,-8.247402872471664
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)n2C)c(C)c1,C22761980_decoy,HS90A,Decoy,0.0,-8.37768,-10.05,-3.18,-10.429358290625652
CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1N1CCCCC1)C2=O,C22962339_decoy,HS90A,Decoy,0.0,-8.77079,-6.41,-2.74,-6.723238284635444
CN1C(=O)c2ccc(NC(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)cc2C1=O,C24831346_decoy,HS90A,Decoy,0.0,-8.85166,-10.98,-2.74,-10.637954858475709
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c(C)c1,C24987741_decoy,HS90A,Decoy,0.0,-10.2508,-11.07,-1.13,-9.91413901134213
CC(C)(C)c1ccc(-c2nnc3n2CN(c2ccc(S(N)(=O)=O)cc2)CS3)cc1,C30825146_decoy,HS90A,Decoy,0.0,-11.5683,-5.14,-1.03,-6.154324990046352
Cc1ccc2nc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)sc2c1,C28818122_decoy,HS90A,Decoy,0.0,-7.06996,-9.56,-3.13,-6.7604821349334525
Nn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nnc1-c1ccc(Cl)cc1,C32636409_decoy,HS90A,Decoy,0.0,-11.2295,-9.89,-1.3,-7.105613070258724
CC(C)(C)C(=O)Nc1ccc2[nH+]c(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1,C33010385_decoy,HS90A,Decoy,0.0,-9.80213,-4.89,-2.41,-5.246099362392904
O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)Nc1ccccc1C(F)(F)F,C33067785_decoy,HS90A,Decoy,0.0,-8.35661,-8.82,-4.78,-6.333577255313166
COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1,C33128698_decoy,HS90A,Decoy,0.0,-7.49209,-10.53,-4.3,-9.660415058381652
CCCC(=O)Nc1ccc2[nH+]c(N3CCN(c4cccc(C)c4C)CC3)cc(C(=O)[O-])c2c1,C33260608_decoy,HS90A,Decoy,0.0,-9.76737,-5.71,-3.37,-5.5731757907638295
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3nc(-c4ccncc4)n[nH]3)c2C#N)C1,C02264873_decoy,HS90A,Decoy,0.0,-10.9906,-8.58,-1.45,-8.168666328205267
CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1[N+](=O)[O-],C33514873_decoy,HS90A,Decoy,0.0,-9.22367,-5.48,-1.75,-5.517133128175035
Cc1cccc2sc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)nc12,C36839019_decoy,HS90A,Decoy,0.0,-9.20631,-11.4,-1.85,-11.411857489252265
Cc1c(C)c2c(OCC(=O)Nc3ccc(CCO)cc3)cc3c(c2oc1=O)CCC(C)(C)O3,C08791408_decoy,HS90A,Decoy,0.0,-11.3403,-11.68,-1.09,-10.528628802785937
O=C(N/N=C\C1=c2ccccc2=[NH+]C1)c1c([O-])nnc(-c2ccccc2)c1-c1ccccc1,C38740284_decoy,HS90A,Decoy,0.0,-8.51155,-10.38,-0.66,-9.21789757239132
CC(C)CCOc1ccc([C@@H]2N=C3c4c(sc5c4CC(C)(C)OC5)NC(=O)N3N2)cc1,C39154647_decoy,HS90A,Decoy,0.0,-10.1998,-6.35,-1.08,-6.973533653589379
Cc1ccccc1NC(=O)c1oc2c(c1C)/C(=N/NC(=O)c1ccc3ccccc3n1)CCC2,C40825874_decoy,HS90A,Decoy,0.0,-8.76233,-12.06,-3.86,-8.10745263072733
Cc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NS(=O)(=O)c2ccc(F)cc2)CCC3)cc1,C40826167_decoy,HS90A,Decoy,0.0,-10.8815,-4.52,-1.5,-5.650536743641547
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(OC(C)C)cc2)n2ncnc2N1,C40915882_decoy,HS90A,Decoy,0.0,-9.04867,-6.2,-0.57,-6.78136447563048
Cc1ccccc1-c1nn2c(=O)cc(CNC(=O)Nc3ccccc3Cl)nc2s1,C41077115_decoy,HS90A,Decoy,0.0,-9.53506,-5.54,-2.75,-5.084117300485492
Cc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1C(=O)CN(C)c1ccccc1,C45865902_decoy,HS90A,Decoy,0.0,-7.57943,-9.21,-2.02,-8.26309595964697
C[C@@H]1c2ccc(OCC(=O)N=c3[nH]c4ccccc4[nH]3)cc2OC(=O)[C@H]1Cc1ccccc1,C39276404_decoy,HS90A,Decoy,0.0,-11.115,-11.3,-1.18,-9.98386541541924
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1,C59498838_decoy,HS90A,Decoy,0.0,-11.7492,-11.4,-0.72,-10.025713918706735
COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC3=NN=C(c4ccc5ccccc5c4)[C@H]32)cc1,C09861084_decoy,HS90A,Decoy,0.0,-8.19711,-7.44,-0.99,-6.410574046006947
Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3cccc(C)c3)c3ccccc32)cc1,C64971466_decoy,HS90A,Decoy,0.0,-10.7526,-9.53,-3.73,-9.174435233078537
CSc1cccc(NC(=O)N2CCN(c3cc(C)nc(Nc4ccc(C)cc4)n3)CC2)c1,C65364657_decoy,HS90A,Decoy,0.0,-10.8406,-10.33,-2.27,-9.304426706610007
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)Nc1cccc(Cl)c1Cl,C03600786_decoy,HS90A,Decoy,0.0,-9.3469,-9.16,-2.4,-9.64800050677296
Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1,C04210301_decoy,HS90A,Decoy,0.0,-8.75645,-9.67,-0.98,-7.838568527101185
C[C@]1(O)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)OC12CCCCC2,C01432046_decoy,HS90A,Decoy,0.0,-7.71495,-7.64,-0.84,-8.72286738226818
Nc1nnc(-c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)o1,C04770228_decoy,HS90A,Decoy,0.0,-9.04105,-10.69,-1.64,-10.509111021401113
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N2,C01082738_decoy,HS90A,Decoy,0.0,-8.49346,-5.34,-1.31,-5.481515592679616
COc1ccccc1NC(=O)N1[C@@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2,C04888178_decoy,HS90A,Decoy,0.0,-7.32647,-5.35,-3.12,-5.188127116379532
C[C@]12C[C@H](NC(=O)N1c1ccc(C(=O)NC3CCCCC3)cc1)c1ccccc1O2,C04992457_decoy,HS90A,Decoy,0.0,-7.19311,-5.79,-4.85,-4.788466435801013
Cc1ccc2nc(NC(=O)N[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)sc2c1,C05188571_decoy,HS90A,Decoy,0.0,-8.75195,-9.78,-0.09,-7.144163076319771
c1ccc(CSc2nnc3c(n2)O[C@H](c2ccc[nH]2)Nc2ccccc2-3)cc1,C05741038_decoy,HS90A,Decoy,0.0,-9.99782,-10.99,-0.88,-10.32990685301551
Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n2N)cc1,C08283369_decoy,HS90A,Decoy,0.0,-6.42473,-8.23,-4.03,-6.109958788555611
C[C@@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)C12CC3CC(CC(C3)C1)C2,C08489891_decoy,HS90A,Decoy,0.0,-8.4272,-7.28,-4.94,-8.293801566619576
O=C(Nc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F,C12234885_decoy,HS90A,Decoy,0.0,-6.59193,-8.32,-1.17,-6.806675968182168
CC1=C(C(=O)Nc2ccccc2C)[C@@H](/C(C)=C/c2ccccc2)n2ncnc2N1,C12289311_decoy,HS90A,Decoy,0.0,-8.48688,-5.61,-1.93,-5.944648651290295
CC(C)(C)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1,C14474560_decoy,HS90A,Decoy,0.0,-7.3024,-7.69,-0.61,-6.2353046425349135
CC(C)C(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2,C14551075_decoy,HS90A,Decoy,0.0,-9.71974,-5.37,-1.91,-5.413245760841075
CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2,C14551089_decoy,HS90A,Decoy,0.0,-8.02826,-5.63,-1.05,-5.706678901565902
O=C(Nc1ccccc1)[C@H]1/C(=N\Nc2ccccc2)c2ccccc2S1(=O)=O,C15019547_decoy,HS90A,Decoy,0.0,-8.79126,-10.37,-2.42,-10.378733618606182
Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4ccc(C)cc4n3)n2)cc1,C16626477_decoy,HS90A,Decoy,0.0,-9.51995,-10.36,-0.59,-7.968182802697714
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2,C05092281_decoy,HS90A,Decoy,0.0,-7.57464,-6.54,-1.49,-5.747601221976211
CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2,C20709841_decoy,HS90A,Decoy,0.0,-9.29436,-6.5,-1.38,-5.860892135243778
CC(C)C(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2,C20757232_decoy,HS90A,Decoy,0.0,-8.40774,-5.19,-2.34,-5.301076578762128
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1,C21356398_decoy,HS90A,Decoy,0.0,-7.25671,-5.47,-1.39,-5.245805987616305
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Oc2ccccc2)c1,C24543995_decoy,HS90A,Decoy,0.0,-8.75281,-7.26,-0.21,-5.940780439981863
CC1(C)CC(=O)C2=C(C1)Nc1c(NC(=O)c3ccccc3)cnn1[C@@H]2c1ccccc1,C27562655_decoy,HS90A,Decoy,0.0,-8.16396,-5.84,-1.61,-5.408459453845706
CC1(C)CC(=O)C2=C(C1)Nc1c(NC(=O)c3ccccc3)cnn1[C@H]2c1ccccc1,C27562658_decoy,HS90A,Decoy,0.0,-7.49455,-6.5,-1.79,-5.3703764514419
Cc1cccc(-c2nc(N3CCSCC3)nc3nn(C(C)(C)C)c(N)c23)c1,C35578218_decoy,HS90A,Decoy,0.0,-9.70843,-7.85,-1.62,-7.615318525450121
Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1Cl,C35684291_decoy,HS90A,Decoy,0.0,-10.2096,-10.1,0.07,-10.424460940342112
COc1cccc2cc(-c3csc(NC(=O)NC4CCCCC4)n3)oc12,C22479715_decoy,HS90A,Decoy,0.0,-11.0572,-6.42,-1.63,-6.575981623116982
CC1(C)C[C@](C)(c2ccccc2)c2ccc(N)cc2N1C(=O)c1ccc([N+](=O)[O-])cc1,C02288851_decoy,HS90A,Decoy,0.0,-6.66965,-5.53,-1.15,-4.950818641374573
Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C)o2)c1,C38659062_decoy,HS90A,Decoy,0.0,-7.46505,-10.74,0.01,-8.243280213728559
CC(C)C1=C[C@H]([C@H]2NN[C@H]3SC(/C=C/c4ccccc4Cl)=NN23)N=N1,C38742713_decoy,HS90A,Decoy,0.0,-9.77145,-6.1,-1.88,-5.869274754766272
CC1=C[C@H]([C@@H]2NN[C@H](S)N2/N=C/c2c3ccccc3cc3ccccc23)N=N1,C38979747_decoy,HS90A,Decoy,0.0,-10.2646,-8.82,-0.03,-9.511167843263603
N#CC1=C(N)OC2=NN=C(c3ccc(C4CCCCC4)cc3)[C@@H]2[C@@H]1c1ccncc1,C15932583_decoy,HS90A,Decoy,0.0,-9.16653,-6.28,-1.98,-5.671078536497888
CC(C)(C)C1=NN=C2OC(N)=C(C#N)[C@@H](c3ccc(OC4CCCC4)cc3)[C@H]21,C04631772_decoy,HS90A,Decoy,0.0,-8.32381,-6.59,0.61,-6.140417715589376
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O,C39570374_decoy,HS90A,Decoy,0.0,-7.86889,-5.5,-1.67,-5.271591204865981
O=C(N/N=C/c1cccc(O)c1)[C@@H]1C=C(C23CC4CC(CC(C4)C2)C3)N=N1,C39769876_decoy,HS90A,Decoy,0.0,-8.15925,-8.49,-2.26,-6.09329549261908
O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)Nc1ccccc1F,C43990758_decoy,HS90A,Decoy,0.0,-10.0076,-6.55,-2.12,-5.802716768860294
CC(C)(C)c1nc(C#N)c(N/N=C/c2c[nH]c3ccc(Br)cc23)o1,C45160831_decoy,HS90A,Decoy,0.0,-8.52973,-9.11,-2.44,-7.915275658149468
CC(=O)c1s/c(=N/N=C2/NC(=O)/C(=C\c3ccccc3Cl)S2)[nH]c1C,C48553233_decoy,HS90A,Decoy,0.0,-10.4269,-8.57,-1.96,-6.0790657210752
C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1,C04571455_decoy,HS90A,Decoy,0.0,-10.1954,-5.41,-3.79,-4.874027471512693
O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1,C56826412_decoy,HS90A,Decoy,0.0,-9.57513,-7.82,-1.35,-6.748428707714392
O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc2c(c1)OC1(CCCC1)O2,C57152783_decoy,HS90A,Decoy,0.0,-9.29542,-6.74,-1.69,-5.3426792544059465
O=C1COc2cc(NC(=O)c3csc(-c4ccc(Cl)s4)n3)c(Cl)cc2N1,C60034517_decoy,HS90A,Decoy,0.0,-10.5706,-5.5,-1.12,-5.102074777107257
CN1CCCc2cc(NC(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc21,C62411634_decoy,HS90A,Decoy,0.0,-9.65548,-5.72,-2.23,-5.180976155079788
Cc1ccccc1NC(=O)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1C,C64775601_decoy,HS90A,Decoy,0.0,-9.14077,-9.98,-1.41,-12.069594864245078
O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)Nc1c(F)cccc1F,C65185970_decoy,HS90A,Decoy,0.0,-9.72436,-9.3,-1.52,-7.895322233169044
O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)N[C@H]1CCc2ccccc2C1,C66956846_decoy,HS90A,Decoy,0.0,-8.54044,-6.71,-2.46,-5.310015357186437
O=C(NC1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1)Oc1ccccc1,C67251355_decoy,HS90A,Decoy,0.0,-8.10527,-8.1,-1.2,-5.790832410683613
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1,C67469724_decoy,HS90A,Decoy,0.0,-9.34435,-6.36,-5.14,-6.327489639106712
C[C@H]1CN(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)C[C@@H](c2ccccc2)O1,C67563189_decoy,HS90A,Decoy,0.0,-8.00147,-5.33,-1.18,-5.4801264505724525
CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CC(C)(C)[NH2+]C2(C)C,C04281236_decoy,HS90A,Decoy,0.0,-8.79581,-9.19,-1.06,-9.639707827714243
CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)CC1,C04554378_decoy,HS90A,Decoy,0.0,-9.82188,-8.62,-2.14,-10.092786897086878
Cc1ccc(NC(=O)C[NH+](C)[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1,C07390665_decoy,HS90A,Decoy,0.0,-9.41853,-6.02,-0.41,-7.1745513932155385
Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1,C09766892_decoy,HS90A,Decoy,0.0,-10.9501,-9.95,-2.77,-10.327119585314197
O=C(C[C@@H]1C(=O)NCC[NH+]1Cc1cccc2ccccc12)NCCCc1ccccc1,C12438728_decoy,HS90A,Decoy,0.0,-9.92689,-10.21,-2.94,-10.444664727295848
C[NH+](CC(=O)Nc1ccccc1Sc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F,C03457549_decoy,HS90A,Decoy,0.0,-9.51138,-9.32,-4.29,-9.44632759190814
O=C(C[C@@H]1C(=O)NCC[NH+]1Cc1cccs1)NCC1(c2ccccc2)CCCC1,C12584588_decoy,HS90A,Decoy,0.0,-9.44548,-7.38,-2.05,-7.330863611592083
CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2,C13645204_decoy,HS90A,Decoy,0.0,-9.28763,-5.37,-4.55,-6.870948072502092
O=C(C[C@H]1C(=O)NCC[NH+]1Cc1cccc2ccccc12)NC1C2CC3CC(C2)CC1C3,C15062532_decoy,HS90A,Decoy,0.0,-9.25822,-11.54,-1.71,-10.346222067005463
C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH2+]CCO,C16041552_decoy,HS90A,Decoy,0.0,-8.6555,-7.69,-2.05,-7.423364744642146
CCCCc1[nH]cc(CN2CCC3(CC2)C[C@H]3C(=O)NCCC2=CCCCC2)[nH+]1,C19739821_decoy,HS90A,Decoy,0.0,-10.4258,-6.25,-2.67,-6.048777136006522
Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)c1,C20355281_decoy,HS90A,Decoy,0.0,-9.95876,-6.28,-1.64,-8.416867249978619
Cc1ccc(NC(=O)N[C@H](CCC(C)C)c2c(-n3cccc3)sc3c2CC[NH+](C)C3)cc1C,C20532149_decoy,HS90A,Decoy,0.0,-11.7825,-8.35,-1.58,-9.732091978849123
Cc1cc(C)cc(NC(=O)N[C@H](CCC(C)C)c2c(-n3cccc3)sc3c2CC[NH+](C)C3)c1,C20532151_decoy,HS90A,Decoy,0.0,-11.0622,-9.22,-2.3,-10.296385567648464
CCc1ccc(NC(=O)N[C@H](CCC(C)C)c2c(-n3cccc3)sc3c2CC[NH+](CC)C3)cc1,C20532187_decoy,HS90A,Decoy,0.0,-11.5593,-8.36,-2.74,-12.41626626785826
CC[C@@H]1CCCC[NH+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2,C03064211_decoy,HS90A,Decoy,0.0,-9.58528,-7.98,-2.88,-7.8145106684296755
CCOc1ccccc1[C@H]1Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2[C@@H]2C=CC[C@@H]12,C20748975_decoy,HS90A,Decoy,0.0,-9.78296,-8.09,-1.32,-7.842571525570562
NC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)CC1,C21365073_decoy,HS90A,Decoy,0.0,-10.1485,-5.42,-2.92,-6.658289782584523
CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2)[NH+]2CCc3ccccc3C2)cc1,C22419159_decoy,HS90A,Decoy,0.0,-10.375,-8.44,-2.19,-9.03446647897863
CN(C)c1ccc([C@H](CNC(=O)NCCCc2ccccc2)[NH+]2CCc3ccccc3C2)cc1,C22419232_decoy,HS90A,Decoy,0.0,-10.6114,-9.57,-3.66,-9.06494466604043
Cc1ccc(-c2ccc(CCC(=O)NC3CC[NH2+]CC3)n2-c2ccc(CC#N)cc2)c(C)c1,C23426514_decoy,HS90A,Decoy,0.0,-9.14577,-7.2,-2.43,-6.965106034840488
C[NH+](C)[C@H](CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl,C24062408_decoy,HS90A,Decoy,0.0,-8.65175,-5.64,-4.14,-6.331392888478526
O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1,C24858298_decoy,HS90A,Decoy,0.0,-9.19816,-10.47,-4.52,-11.800548327931905
CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1,C27605944_decoy,HS90A,Decoy,0.0,-9.91192,-9.03,-1.15,-8.447310360772116
CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,C27822876_decoy,HS90A,Decoy,0.0,-9.88746,-8.78,-1.98,-10.606465841470513
CCCCCC(=O)N1CCC2(CC1)[NH2+][C@@H](C(=O)NCCc1ccc(Cl)cc1Cl)CS2,C33396853_decoy,HS90A,Decoy,0.0,-10.9665,-8.24,-1.66,-9.951182301796589
CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C34736550_decoy,HS90A,Decoy,0.0,-10.6359,-7.77,-3.87,-9.113570432701357
COc1cc2c(cc1OC)[C@H](CNC(=S)Nc1cccc(C)c1)[NH+](Cc1ccccc1C)CC2,C36041095_decoy,HS90A,Decoy,0.0,-10.4362,-9.23,-2.1,-10.181682407146797
CC(C)CC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)Cc1ccccc1,C36161462_decoy,HS90A,Decoy,0.0,-10.2893,-8.66,-2.11,-8.529574255082524
C=C[C@](C)(O)C[NH+](Cc1ccccc1)Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1,C36205727_decoy,HS90A,Decoy,0.0,-9.62454,-6.09,-2.04,-6.676304481835788
CC[NH+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C)C1,C06877452_decoy,HS90A,Decoy,0.0,-9.66723,-5.34,-3.52,-6.689884030409172
Cc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1,C38517661_decoy,HS90A,Decoy,0.0,-8.64401,-10.36,-1.84,-8.730164617726551
Cc1cc[nH+]c(N[C@@H](c2ccc(Cl)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,C38547557_decoy,HS90A,Decoy,0.0,-9.13115,-7.98,-4.23,-8.624295369212591
Cc1cc[nH+]c(N[C@H](c2ccc(Br)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,C38547650_decoy,HS90A,Decoy,0.0,-11.3138,-9.25,-3.27,-10.259494202394087
O=C(C1=c2ccccc2=[NH+]C1)[C@@H](S[C@@H]1NN=C(NCc2ccccc2)S1)c1ccccc1,C38779267_decoy,HS90A,Decoy,0.0,-9.36038,-7.67,-0.46,-7.795110205408083
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[NH+](Cc2cccc3ccccc23)C1,C38855697_decoy,HS90A,Decoy,0.0,-10.0101,-9.63,-2.36,-9.27340074399668
C=CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc3ccccc23)CC1,C38855778_decoy,HS90A,Decoy,0.0,-9.24248,-11.36,-1.55,-11.582490177920857
O=C1[C@H]2C3=C(C[C@H]([NH2+]Cc4cccc(F)c4)CC3)S[C@@H]2N=CN1CCc1c[nH]c2ccccc12,C39478804_decoy,HS90A,Decoy,0.0,-9.87546,-10.63,-3.27,-12.590933742991153
O=C(NC1CCCCCCC1)[C@H]1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,C39659745_decoy,HS90A,Decoy,0.0,-8.90155,-7.99,-3.64,-7.171184170004645
CC[C@H](C(=O)N1C[C@H](C(=O)NC2CCCCCCC2)C2(CC[NH2+]CC2)C1)c1ccccc1,C39659853_decoy,HS90A,Decoy,0.0,-8.71871,-8.73,-1.38,-7.989584313019694
CCCCCCNC(=O)[C@H]1CN(C(=O)[C@@H](CC)c2ccccc2)CC12CC[NH2+]CC2,C39660364_decoy,HS90A,Decoy,0.0,-8.89615,-5.05,-2.29,-6.372126041520695
C=C[C@@](C)(O)C[NH+](Cc1ccccc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3,C40408617_decoy,HS90A,Decoy,0.0,-9.50233,-8.38,-1.63,-8.726846839433657
COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCC(=O)Nc1ccc(C)cc1,C40734580_decoy,HS90A,Decoy,0.0,-7.74497,-9.77,-2.46,-10.030268932533971
O=C(Nc1sc2c(c1[C@@H](Nc1cccc[nH+]1)c1ccc(F)cc1)CCCC2)c1ccco1,C38550622_decoy,HS90A,Decoy,0.0,-9.96823,-9.23,-1.05,-9.329285536185896
Cc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1,C43222416_decoy,HS90A,Decoy,0.0,-8.51571,-9.29,-1.43,-9.057646257312843
CN(C)c1ccc(NC(=S)NC[C@H]2C[C@H]3CC[NH+]2C[C@@H]3CN(C)c2ccccc2)cc1,C43527552_decoy,HS90A,Decoy,0.0,-10.0249,-7.84,-3.78,-8.459988373452461
CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(OC)ccc3ccccc23)CN1CC(c1ccccc1)c1ccccc1,C32582026_decoy,HS90A,Decoy,0.0,-8.6083,-9.64,-2.66,-8.9975712025588
CCC[NH+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H](C)c1ccccc1Br,C59121735_decoy,HS90A,Decoy,0.0,-9.58341,-7.93,-1.86,-8.845505429029874
O=C(CCC1=c2ccccc2=[NH+]C1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1,C64363871_decoy,HS90A,Decoy,0.0,-9.00215,-9.91,-1.29,-7.473242691059895
Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(NC(=O)CC3CCCCC3)CC2)c(C)c1,C66885976_decoy,HS90A,Decoy,0.0,-10.6744,-9.94,-1.96,-9.245846464274775
C=C1Nc2ccccc2N=C(NC(=O)C[NH+]2CCCCCC2)[C@H]1c1ccccc1,C06416735_decoy,HS90A,Decoy,0.0,-8.60929,-6.27,-0.84,-5.201106919234952
C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1cccc2ccccc12,C06881926_decoy,HS90A,Decoy,0.0,-6.52802,-6.04,-2.28,-5.1813649529236505
C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](C)CC(=O)Nc1ccccc1C(F)(F)F,C07461317_decoy,HS90A,Decoy,0.0,-8.19309,-8.69,-2.81,-7.083895937558844
O=C(C[NH+]1CCc2sccc2[C@H]1c1cccs1)NC(=O)Nc1ccccc1,C08001159_decoy,HS90A,Decoy,0.0,-9.39085,-4.84,-0.86,-5.615394187327345
O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1,C11563464_decoy,HS90A,Decoy,0.0,-10.3606,-8.53,-0.92,-8.883179437460713
O=C(C[C@@H]1C(=O)NCC[NH+]1Cc1ccc2ccccc2c1)NCc1ccccc1F,C11754006_decoy,HS90A,Decoy,0.0,-9.07749,-7.58,-1.97,-6.959572257610779
CC(C)(O)C#Cc1cccc(C(=O)NCC[NH+]2Cc3ccccc3O[C@H](c3ccsc3)C2)c1,C12457199_decoy,HS90A,Decoy,0.0,-11.0626,-10.32,-1.79,-10.461439657713065
O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1,C12843542_decoy,HS90A,Decoy,0.0,-9.94754,-5.94,-2.99,-5.297335241596491
Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Br)c1,C12902992_decoy,HS90A,Decoy,0.0,-9.58476,-7.12,-2.15,-7.116305459522129
C=CCOc1ccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)cc1,C05799001_decoy,HS90A,Decoy,0.0,-9.37752,-6.41,-1.25,-6.496974397459299
Cn1nc2c(c1C(F)(F)C(F)(F)F)CN(C(=O)C[C@H]([NH3+])Cc1cc(F)ccc1F)CC2,C14948957_decoy,HS90A,Decoy,0.0,-8.12948,-8.95,-1.79,-7.497258592901329
Oc1c([C@H](Nc2cccc[nH+]2)c2cccc(OC3CCCC3)c2)ccc2cccnc12,C15016973_decoy,HS90A,Decoy,0.0,-10.8056,-11.22,-1.17,-12.180825011748462
O=C(Nc1cccc(N2CC[NH2+]CC2)c1)OCC1c2ccccc2-c2ccccc21,C08699824_decoy,HS90A,Decoy,0.0,-8.93859,-9.37,-3.45,-8.607418580006854
Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1,C19234503_decoy,HS90A,Decoy,0.0,-9.25324,-7.8,-2.42,-7.454707605087306
O=c1[nH]c2c(cc1C[NH2+]C1CCCC1)c(-c1ccccc1)nn2-c1ccccc1,C19373978_decoy,HS90A,Decoy,0.0,-9.08771,-10.21,-0.64,-8.676707531169061
CCn1cc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc21,C19524759_decoy,HS90A,Decoy,0.0,-10.2014,-8.86,-1.95,-7.561874537950324
CC[NH+](CC)CN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2cc(Br)ccc21,C13635326_decoy,HS90A,Decoy,0.0,-8.52629,-5.26,-1.63,-5.458408512945813
C[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2Br)C1,C20927235_decoy,HS90A,Decoy,0.0,-9.97351,-4.76,-3.5,-5.899143796976824
C[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Br)c2)C1,C20927250_decoy,HS90A,Decoy,0.0,-9.36802,-5.68,-1.21,-5.873435971052677
O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1,C20958252_decoy,HS90A,Decoy,0.0,-9.2112,-6.33,-3.51,-7.10710172406225
CCOc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1,C22679578_decoy,HS90A,Decoy,0.0,-8.66662,-7.75,-2.54,-8.33884245607903
Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(Br)c1,C35262628_decoy,HS90A,Decoy,0.0,-9.09561,-9.83,-3.07,-10.92834528116021
CC(C)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)C[C@@H](O)C(C)C,C35781301_decoy,HS90A,Decoy,0.0,-9.53122,-8.22,-2.66,-7.670674997040448
O=C(NC12CC3CC(CC(C3)C1)C2)C1=CC2=[NH+][C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1,C04018824_decoy,HS90A,Decoy,0.0,-9.71281,-7.12,-1.64,-7.203064152974762
C=C[C@](C)(O)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)CC(C)C,C36313595_decoy,HS90A,Decoy,0.0,-9.79827,-7.6,-3.17,-8.28928151217174
COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,C05013835_decoy,HS90A,Decoy,0.0,-8.24737,-8.56,-0.78,-13.986051766769968
Cc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1,C38517663_decoy,HS90A,Decoy,0.0,-10.9457,-9.61,-2.36,-9.881925994097982
CN1CCc2cc([C@@H](CNC(=O)NCc3cccc4ccccc34)[NH+](C)C)ccc21,C38517810_decoy,HS90A,Decoy,0.0,-9.13345,-9.09,-3.39,-7.521926368205865
Cc1cc[nH+]c(N[C@H](c2cccc(Cl)c2)c2cc(C)sc2NC(=O)c2ccco2)c1,C38546943_decoy,HS90A,Decoy,0.0,-10.8597,-6.21,-2.79,-7.12978163521027
Cc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1,C38547007_decoy,HS90A,Decoy,0.0,-11.0034,-9.34,-2.53,-10.264448958205294
CN1CCCc2cc([C@@H](CNC(=O)Nc3c(F)cccc3F)[NH+]3CCCCC3)ccc21,C38671239_decoy,HS90A,Decoy,0.0,-10.5286,-9.99,-2.2,-10.955596872912734
CC1=C(CC[NH2+]CC2=CN(C)N[C@@H]2c2ccc(C3CCCCC3)cc2)[C@@H](C)N=N1,C39379398_decoy,HS90A,Decoy,0.0,-9.42662,-9.52,-1.91,-10.283790173977406
CC(C)C1=C[C@H](C[NH+]2CCc3c([nH]c4ccccc34)[C@@H]2c2cccc(O)c2)N=N1,C39430543_decoy,HS90A,Decoy,0.0,-9.31032,-10.39,-2.27,-8.72220970108531
CC1(C)C[C@@H]2[C@@H](CNN2c2cccc(F)c2)[C@H]([NH2+]C[C@@H]2C=NN=C2c2ccccc2)C1,C39490296_decoy,HS90A,Decoy,0.0,-9.7448,-8.96,-3.16,-8.425181663130587
O=C(NC1CCCCCCC1)[C@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC12CC[NH2+]CC2,C39659781_decoy,HS90A,Decoy,0.0,-7.94696,-9.55,-0.53,-7.857286821172874
O=C(NC1CCCCCCC1)[C@@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC12CC[NH2+]CC2,C39659786_decoy,HS90A,Decoy,0.0,-8.49765,-6.8,-5.61,-6.746844334590476
Cn1nc(-c2ccccc2)cc1[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=S)Nc1ccccc1,C43525420_decoy,HS90A,Decoy,0.0,-9.36334,-5.97,-2.88,-6.423770821398637
[NH3+]Cc1ccccc1Oc1c(Br)cc([N+](=O)[O-])cc1Br,C50441435_decoy,HS90A,Decoy,0.0,-8.10717,-7.78,-3.28,-8.252491458415854
CC(=O)Nc1ccc2c(C[NH2+][C@H](c3cccs3)C(C)(C)C)cc(=O)oc2c1,C52838417_decoy,HS90A,Decoy,0.0,-8.40716,-6.87,-0.79,-6.759456274070578
Cc1ccc(-c2[n-]n(-c3ccccc3)c3[nH+]c(=O)c(C[NH2+]Cc4ccc(Cl)cc4)cc2-3)cc1,C13564702_decoy,HS90A,Decoy,0.0,-11.1158,-9.96,-1.46,-10.504145995665128
Cc1[nH+]ccn1CCCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2,C60375793_decoy,HS90A,Decoy,0.0,-8.97077,-8.33,-1.31,-10.203008668010373
CC1=C2C=C(C(=O)NCCC3=c4ccccc4=[NH+]C3)S[C@@H]2N(c2ccc(Cl)cc2)N1,C63262612_decoy,HS90A,Decoy,0.0,-10.5891,-9.62,-2.48,-11.6418451246004
COc1ccc2c(c1)=C(CCNC(=O)/C=C1/CS[C@H](c3ccc(Cl)cc3)N1)C[NH+]=2,C63281538_decoy,HS90A,Decoy,0.0,-10.2502,-9.87,-0.94,-9.118099113244376
CCCc1[nH]n([C@H]2Nc3ccccc3S2)c(=O)c1/C=[NH+]/CCc1ccccc1,C38582912_decoy,HS90A,Decoy,0.0,-10.488,-9.84,-1.36,-8.523551787965687
O=C(CN1c2ccccc2N[C@H]1C(F)(F)F)NCCC1=c2ccccc2=[NH+]C1,C64713333_decoy,HS90A,Decoy,0.0,-6.94818,-6.15,-1.56,-5.834100904540207
CC1=C(CCC(=O)NCCC2=c3ccccc3=[NH+]C2)[C@H](C)N(c2ccccc2)N1,C64723215_decoy,HS90A,Decoy,0.0,-7.98256,-7.42,-1.37,-6.941950799900813
O=C(NCCC1=CCCCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1,C65255757_decoy,HS90A,Decoy,0.0,-8.25939,-9.64,-2.8,-8.217471483146907
CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1,C65963221_decoy,HS90A,Decoy,0.0,-9.62883,-7.44,-2.34,-8.31330533352602
C[C@H](CNC(=O)C[C@H](C)NC(=O)C1CCCCC1)[NH+]1CCc2ccccc2C1,C66291295_decoy,HS90A,Decoy,0.0,-9.64384,-8.83,-3.54,-8.17903085428189
Cc1ccc([C@@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1,C67269014_decoy,HS90A,Decoy,0.0,-8.78652,-6.2,-1.25,-6.4247826437441375
Cc1cccc(C(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)c1O,C00910637_decoy,HS90A,Decoy,0.0,-8.48248,-9.91,-0.69,-7.422774300791774
Cc1cc(C)c(C)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1C,C00792556_decoy,HS90A,Decoy,0.0,-7.47645,-8.01,-0.23,-6.137992393807582
O=C(NNC(=O)N1c2ccccc2Sc2ccccc21)C1CCCCC1,C02395565_decoy,HS90A,Decoy,0.0,-6.94601,-6.03,-0.49,-4.012671126865299
C[C@@H]1C[C@H](NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1,C02725407_decoy,HS90A,Decoy,0.0,-7.57969,-9.54,-1.54,-5.790345868002244
Cc1ccn2c(NC3CCCC3)c(-c3cc4cccc(C)c4[nH]c3=O)nc2c1,C01330109_decoy,HS90A,Decoy,0.0,-8.74329,-9.01,-0.75,-7.645805474981502
CC(C)(C)c1ccc(-c2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc1,C05034730_decoy,HS90A,Decoy,0.0,-7.31768,-5.54,-0.66,-4.005079009924875
CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(F)c1,C12499682_decoy,HS90A,Decoy,0.0,-8.18343,-5.08,-2.02,-5.079908821026913
Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N(C)[C@]2(C)Oc2ccccc23)c(C)c1,C12620112_decoy,HS90A,Decoy,0.0,-8.20393,-4.82,-1.99,-4.836199473688776
CC(C)c1ccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4)CS2)cc1,C12596048_decoy,HS90A,Decoy,0.0,-10.8171,-9.72,-0.6,-8.498131419158886
CCc1ccc2c(c1)/C(=N/Nc1nc(-c3ccc(F)cc3)cs1)C(=O)N2,C13857161_decoy,HS90A,Decoy,0.0,-9.53965,-6.79,-1.46,-5.65842524739889
Cc1cc(C)c([C@H]2Nc3c(O)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c(C)c1,C14457738_decoy,HS90A,Decoy,0.0,-7.89122,-8.98,-1.15,-8.377788169040276
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2,C14460277_decoy,HS90A,Decoy,0.0,-7.80792,-8.64,-0.22,-7.427923696967131
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2,C14460279_decoy,HS90A,Decoy,0.0,-8.05881,-9.66,-0.02,-7.577172131077151
Cc1ccc(C)c(NC(=O)[C@@H]2C(=O)N[C@@]34CCCC[C@H]3[C@@H]2c2ccccc2O4)c1,C16040866_decoy,HS90A,Decoy,0.0,-8.02493,-9.0,-0.92,-8.346810256581893
C[C@H]1C[C@@H](NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1,C17244181_decoy,HS90A,Decoy,0.0,-8.35749,-6.44,-1.6,-6.172052144025022
O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@@H]1C=CC[C@H]1[C@@H]([C@H]1CC=CCC1)N2,C15218458_decoy,HS90A,Decoy,0.0,-8.02807,-7.73,0.16,-8.855505562177473
CC(C)(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1,C20467925_decoy,HS90A,Decoy,0.0,-8.52216,-5.03,-2.32,-5.001807281203921
Cc1cc(C)c([C@@H]2Nc3c(O)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c(C)c1,C20691240_decoy,HS90A,Decoy,0.0,-7.72279,-6.68,-2.81,-4.872495356547744
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)ccc1O)N2,C20695918_decoy,HS90A,Decoy,0.0,-9.03767,-9.83,-0.42,-9.737480982070233
O=[N+]([O-])c1cccc2c1N[C@H](c1cc(Br)ccc1O)[C@@H]1CC=C[C@@H]21,C20695949_decoy,HS90A,Decoy,0.0,-7.42225,-5.66,-0.28,-4.499668873335849
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]23)c1,C20708892_decoy,HS90A,Decoy,0.0,-7.97605,-7.18,0.28,-6.725940041169677
CSc1cccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1,C21649841_decoy,HS90A,Decoy,0.0,-9.04291,-5.44,-2.56,-6.235532407403812
Cc1cccc(Nc2nc(Nc3ccc(F)cc3)nc3c2C(=O)CCC3)c1,C22444364_decoy,HS90A,Decoy,0.0,-9.33087,-10.93,-0.47,-8.470219968064084
Cc1cc(N)nc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1,C31745904_decoy,HS90A,Decoy,0.0,-8.92905,-8.69,-2.28,-8.403908804998977
CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)NC1CCCCC1,C00850731_decoy,HS90A,Decoy,0.0,-9.27192,-7.76,-1.5,-8.941427300641626
Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2CCCC3)cc1,C35289378_decoy,HS90A,Decoy,0.0,-8.99836,-7.84,-2.29,-7.32482441843539
CC(C)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(C)C)C[C@@H]32)cc1,C04453384_decoy,HS90A,Decoy,0.0,-9.34946,-5.46,-0.61,-5.798845656475811
Cc1cc(C)c([C@@H]2Nc3c(O)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)c(C)c1,C14457729_decoy,HS90A,Decoy,0.0,-8.58979,-5.66,-2.08,-5.10435206466692
O=[N+]([O-])c1ccc(O)c([C@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c1,C14475876_decoy,HS90A,Decoy,0.0,-8.69774,-10.62,-1.21,-10.835779440555942
O=C(Nc1cccc(Cl)c1)[C@@H]1C[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12,C37447439_decoy,HS90A,Decoy,0.0,-8.66595,-6.93,-1.92,-6.227900597709993
CC1=C[C@@H]([C@H]2NN[C@H](c3cc(C(C)(C)C)cc(C(C)(C)C)c3)O2)N=N1,C38777185_decoy,HS90A,Decoy,0.0,-9.69768,-5.67,-0.02,-6.186876718165229
Cc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2,C38943552_decoy,HS90A,Decoy,0.0,-8.24155,-6.85,-2.65,-5.466283584486635
CC1(C)CC(=O)C2=C(C1)N[C@H]1N=NC(O)=C1[C@H]2c1ccc(-c2ccccc2)cc1,C39358818_decoy,HS90A,Decoy,0.0,-9.07656,-6.4,-1.02,-5.650133739532385
CC1(C)[C@H]2CC[C@]1(C)c1nc3ccc(NC(=O)NC4CCCCC4)cc3nc12,C07011330_decoy,HS90A,Decoy,0.0,-6.52528,-8.86,-3.71,-5.637246515758426
C/C(=C1/S/C(=N/c2ccccn2)N(C2CCCCC2)C1=O)c1ccc(N)cc1,C39863095_decoy,HS90A,Decoy,0.0,-8.60965,-5.7,-0.9,-4.938001190529018
CCCc1cc2c(c(=O)o1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2,C40569293_decoy,HS90A,Decoy,0.0,-8.85103,-6.23,-0.9,-6.217834664191656
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@H](COc1ccc3ccc(=O)oc3c1)[C@@]2(C)O,C05415597_decoy,HS90A,Decoy,0.0,-9.56843,-10.64,-1.89,-8.500709031139358
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(-c3ccccc3)nc(=O)c1[C@H]2c1ccccc1,C44974084_decoy,HS90A,Decoy,0.0,-6.66961,-6.54,-0.61,-4.809864448808428
Cc1cccc([C@@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)c1,C06132001_decoy,HS90A,Decoy,0.0,-8.36503,-10.34,-0.99,-8.173595762721412
N#Cc1nn(-c2ccc(C(F)(F)F)cc2)c(N)c1[S@@+]([O-])C(F)(F)F,C55161759_decoy,HS90A,Decoy,0.0,-5.3836,-4.79,-2.73,-2.630674056216165
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N=c1[nH]c2ccccc2[nH]1,C12323058_decoy,HS90A,Decoy,0.0,-9.97655,-10.75,-1.55,-8.581903469748076
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1nc2ccccc2s1,C57616259_decoy,HS90A,Decoy,0.0,-9.02548,-6.41,-1.97,-6.110414570173689
Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(N(C)C)cc2)cc1,C05798887_decoy,HS90A,Decoy,0.0,-8.61465,-5.06,0.26,-4.99289507303381
Cc1ccc([C@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)cc1,C06199464_decoy,HS90A,Decoy,0.0,-9.09934,-6.24,-1.1,-5.593401357193288
Cc1cccc([C@H]2C3=C(Nc4[nH]n(-c5ccccc5)c(=O)c42)c2ccccc2C3=O)c1,C06132000_decoy,HS90A,Decoy,0.0,-9.12072,-6.54,-1.54,-5.938965427612412
N#CC1=C(N)OC2=NN=C(c3cccc4ccccc34)[C@@H]2[C@H]1C1CCCCC1,C01177718_decoy,HS90A,Decoy,0.0,-8.12049,-9.0,-1.29,-7.275759918451032
N#CC1=C(N)OC2=NN=C(c3ccc(Br)cc3)[C@H]2[C@@H]1c1ccc(F)cc1,C01132542_decoy,HS90A,Decoy,0.0,-8.39889,-8.53,-0.52,-9.048492303949509
O=C1Nc2ccccc2/C1=N\N=c1/[nH]c(-c2ccc(Br)cc2)cs1,C13465520_decoy,HS90A,Decoy,0.0,-9.6925,-9.03,-1.3,-8.064275680250706
Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)NC2CCCCC2)C1,C65058767_decoy,HS90A,Decoy,0.0,-8.7874,-5.59,-2.01,-6.274859936177015
Cc1ccc2cc(C(=O)N3CCC[C@H](c4nc5ccc(C)cc5[nH]4)C3)[nH]c2c1,C67158606_decoy,HS90A,Decoy,0.0,-8.98452,-5.69,-1.68,-5.416930245057882
CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21,C08790240_decoy,HS90A,Decoy,0.0,-9.98368,-5.69,-1.51,-7.262881263079966
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc1,C09402975_decoy,HS90A,Decoy,0.0,-9.72524,-10.23,-3.71,-9.538833024965584
CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC(C)(C)[NH2+]1,C10813750_decoy,HS90A,Decoy,0.0,-9.7417,-6.74,-3.77,-7.250527727068623
O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1,C11563448_decoy,HS90A,Decoy,0.0,-10.5988,-10.46,-3.88,-11.90462436468473
Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NC[C@@H]5CCCO5)cc4c3)CC2)c(C)c1,C12005437_decoy,HS90A,Decoy,0.0,-11.5595,-11.77,-2.32,-9.141056066385485
Cc1c(Cl)ccc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21,C12882775_decoy,HS90A,Decoy,0.0,-10.6692,-9.74,-0.87,-10.241804904162205
Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21,C12885118_decoy,HS90A,Decoy,0.0,-10.8195,-7.8,-1.63,-8.41121177833855
C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1,C12926214_decoy,HS90A,Decoy,0.0,-9.41594,-6.04,-2.21,-6.451894158538838
O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)cc4F)CC3)ccc2o1,C14994079_decoy,HS90A,Decoy,0.0,-10.9686,-10.15,-2.27,-8.332588066826423
O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4cc(F)ccc4F)CC3)ccc2o1,C14996258_decoy,HS90A,Decoy,0.0,-10.4366,-10.0,-1.87,-9.120790591117489
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@@H](NCc3cccnc3)C[C@@H](c3cccc(Cl)c3)[NH+]21,C20504052_decoy,HS90A,Decoy,0.0,-9.49141,-4.72,-2.92,-6.089130947185809
O=C(CN1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccc(C(F)(F)F)cc1,C20689896_decoy,HS90A,Decoy,0.0,-7.42933,-7.83,-3.55,-5.382279566934023
CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C,C22683164_decoy,HS90A,Decoy,0.0,-9.52357,-10.03,-1.86,-13.191881573519977
Cc1cccc(NC(=O)CN2CC[NH+](CC(=O)N[C@H](c3ccccc3)c3cccs3)CC2)c1C,C22791239_decoy,HS90A,Decoy,0.0,-10.718,-9.21,-3.74,-10.336512300988224
NC(=O)[C@@H]1Cc2ccccc2C[NH+]1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1,C14672882_decoy,HS90A,Decoy,0.0,-9.11926,-7.02,-3.0,-6.60853653080219
Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)nc(C)[nH+]2)cc1,C33014179_decoy,HS90A,Decoy,0.0,-8.87919,-10.31,-4.03,-7.818868511498578
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(NC(=O)CC(C)(C)C)c2)N2CCCSC2=[NH+]1,C33870996_decoy,HS90A,Decoy,0.0,-9.80601,-7.04,-4.03,-8.723714445842607
O=C(Nc1ccc(N2CCCN(C(=O)c3cccc(F)c3)CC2)[nH+]c1)Nc1cccc(C(F)(F)F)c1,C35842827_decoy,HS90A,Decoy,0.0,-8.31634,-6.73,-2.8,-4.935299341144947
Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+]3CCC(C)CC3)CC2)c(C)c1,C15942350_decoy,HS90A,Decoy,0.0,-9.90947,-8.59,-3.95,-8.049553997092515
Cc1ccccc1C[C@@H]1Nc2ccc[nH+]c2N1C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1,C39393700_decoy,HS90A,Decoy,0.0,-8.72378,-11.54,-3.07,-9.668727867981852
O=C(CS[C@@H]1Nc2ccccc2N1Cc1ccccc1Cl)N/N=C\C1=c2ccccc2=[NH+]C1,C38899560_decoy,HS90A,Decoy,0.0,-9.9253,-9.64,-3.72,-10.281966666807788
C[C@@H](CNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2F)CC12CC[NH2+]CC2)Oc1ccc(F)cc1,C39595793_decoy,HS90A,Decoy,0.0,-9.23871,-6.89,-2.22,-7.302731634033297
CCc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C3(CC[NH2+]CC3)C2)cc1,C39599625_decoy,HS90A,Decoy,0.0,-9.36555,-6.75,-2.48,-7.087171841598243
O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,C39602510_decoy,HS90A,Decoy,0.0,-9.71499,-6.96,-2.34,-7.132726137478878
O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)[C@@H]1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,C39609050_decoy,HS90A,Decoy,0.0,-11.1812,-7.93,-1.51,-8.935298631881867
O=C(NCCCc1ccccc1)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,C39623760_decoy,HS90A,Decoy,0.0,-9.12826,-8.54,-1.91,-8.275536912221153
CC(C)[C@@H](Oc1ccccc1)C(=O)N1C[C@@H](C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)C2(CC[NH2+]CC2)C1,C39637501_decoy,HS90A,Decoy,0.0,-10.8852,-5.48,-0.69,-7.29140253852388
O=C(NCCc1cccc(F)c1)[C@@H]1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,C39637691_decoy,HS90A,Decoy,0.0,-9.57469,-8.96,-1.1,-9.020963189201304
CCOc1ccc(CCNC(=O)[C@@H]2CN(C(=O)[C@H](CC)c3ccccc3)CC23CC[NH2+]CC3)cc1,C39653930_decoy,HS90A,Decoy,0.0,-9.16486,-7.19,-2.91,-7.364830419905519
O=C(NC1CCCCCCC1)[C@H]1CN(C(=O)c2cccnc2Oc2ccccc2)CC12CC[NH2+]CC2,C39659875_decoy,HS90A,Decoy,0.0,-9.6016,-10.34,-2.75,-10.38294259486557
CCCCCCNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(C(F)(F)F)c2)CC12CC[NH2+]CC2,C39660380_decoy,HS90A,Decoy,0.0,-8.29106,-7.9,-1.18,-9.700494965425138
Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CN(C(=O)Cc3ccccc3C)CC23CC[NH2+]CC3)cc1,C39666291_decoy,HS90A,Decoy,0.0,-9.82191,-10.29,-1.48,-9.216412240837716
Cc1ccc(C(=O)N2C[C@H](C(=O)NC[C@H](C)Oc3ccccc3Cl)C3(CC[NH2+]CC3)C2)cc1,C39666323_decoy,HS90A,Decoy,0.0,-9.91278,-6.87,-2.92,-6.9136894836697405
CC[C@H](C(=O)N1C[C@H](C(=O)NC[C@H]2OCCc3ccccc32)C2(CC[NH2+]CC2)C1)c1ccccc1,C39669092_decoy,HS90A,Decoy,0.0,-9.45121,-8.52,-2.09,-8.916644348296169
O=C(NC[C@H]1OCCc2ccccc21)[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,C39669182_decoy,HS90A,Decoy,0.0,-11.0109,-9.85,-2.39,-8.646456261729826
O=C(NC[C@H]1OCCc2ccccc21)[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2,C39669184_decoy,HS90A,Decoy,0.0,-9.60256,-10.15,-2.6,-8.326798417046543
O=C(NCc1ccccc1N1CCCCC1)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CC12CC[NH2+]CC2,C39678242_decoy,HS90A,Decoy,0.0,-9.94948,-7.74,-2.61,-8.032444503558681
CC[C@@H](C(=O)N1C[C@@H](C(=O)NCc2ccccc2N2CCCCC2)C2(CC[NH2+]CC2)C1)c1ccccc1,C39678325_decoy,HS90A,Decoy,0.0,-9.81172,-9.74,-3.51,-9.377180208401356
Cc1ccccc1CCNC(=O)[C@@H]1CN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC12CC[NH2+]CC2,C39691088_decoy,HS90A,Decoy,0.0,-9.69977,-10.77,-0.94,-10.205852361456918
Cc1ccccc1CCNC(=O)[C@@H]1CN(C(=O)[C@@H](Oc2ccccc2)C(C)C)CC12CC[NH2+]CC2,C39691268_decoy,HS90A,Decoy,0.0,-8.9865,-7.55,-2.71,-8.10131290991985
CC(C)[C@H](Oc1ccccc1)C(=O)N1C[C@H](C(=O)NCCSC(C)(C)C)C2(CC[NH2+]CC2)C1,C39696554_decoy,HS90A,Decoy,0.0,-9.72657,-7.02,-2.84,-9.584531811866452
Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=O)Nc1cccc(C#N)c1,C43526614_decoy,HS90A,Decoy,0.0,-9.10152,-8.0,-2.01,-6.796145512651024
O=C(NNc1cccc(Br)c1)[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1,C38740465_decoy,HS90A,Decoy,0.0,-9.91401,-6.22,-1.11,-6.965645446978809
CC(C)C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21,C09429136_decoy,HS90A,Decoy,0.0,-10.2511,-5.45,-0.8,-6.1892953188677255
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(CC[NH+]3CCSCC3)cc1)C2=O,C60221065_decoy,HS90A,Decoy,0.0,-9.15735,-9.56,-1.12,-7.244830400841596
CCCCN1C(=O)[C@@H]2[C@H](CC3=c4ccccc4=[NH+]C3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O,C63383531_decoy,HS90A,Decoy,0.0,-10.0319,-6.94,-1.21,-7.379926749015665
CN1C[C@@H](/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCC2=c3ccccc3=[NH+]C2)c2ccccc21,C63540949_decoy,HS90A,Decoy,0.0,-9.19092,-6.25,-3.67,-6.337601884219044
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1NN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]2[C@@H]1Cl,C63541085_decoy,HS90A,Decoy,0.0,-10.8197,-8.99,-2.23,-10.104232484108012
O=C(CN1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O)Nc1ccc(I)cc1,C63806688_decoy,HS90A,Decoy,0.0,-10.06,-9.07,-0.94,-8.547666258434425
O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCC1CC[NH+](Cc2ccccc2F)CC1,C35399200_decoy,HS90A,Decoy,0.0,-10.8155,-7.79,-2.14,-7.917914116124505
CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C04281228_decoy,HS90A,Decoy,0.0,-8.97086,-5.28,-2.09,-5.71282368515796
CC[C@@H]1CCC[NH+]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2,C04687593_decoy,HS90A,Decoy,0.0,-8.49677,-9.05,-4.11,-7.551195312422878
Cc1ccc2cc(C#N)c(NCCCNC(=O)C34CC5CC(CC(C5)C3)C4)[nH+]c2c1,C04964500_decoy,HS90A,Decoy,0.0,-9.6055,-9.27,-1.92,-10.816199811545529
CSc1ccccc1NC(=O)C[NH+](C)[C@H](C)C(=O)c1c(C)[nH]c2ccccc12,C07977464_decoy,HS90A,Decoy,0.0,-8.749,-8.59,-1.39,-8.505295658271068
COC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C09639693_decoy,HS90A,Decoy,0.0,-8.02377,-5.0,-2.78,-5.241346648462359
O=C(NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1)C(=O)Nc1cc(F)ccc1F,C10086681_decoy,HS90A,Decoy,0.0,-9.61273,-5.71,-2.21,-6.413723674162004
C[NH+](Cc1ccccc1)C1(CNC(=O)C[C@H]2CCC(=O)N2)Cc2ccccc2C1,C12386553_decoy,HS90A,Decoy,0.0,-9.43479,-9.52,-1.15,-9.66450976076427
CC(=O)Nc1ccc2nc(C[NH+]3CCC[C@@H](Nc4ccc(F)c(F)c4)C3)ccc2c1,C12308288_decoy,HS90A,Decoy,0.0,-9.41886,-5.21,-1.66,-5.271587986033007
Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)c2c1,C18088241_decoy,HS90A,Decoy,0.0,-9.37678,-11.08,-1.76,-12.719951045531936
CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c(-n2cccc2)sc2c1CC[NH+](CC)C2,C20532212_decoy,HS90A,Decoy,0.0,-8.97871,-9.98,-2.8,-9.31483500121981
CC[NH+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2C(F)(F)F)C1,C20532242_decoy,HS90A,Decoy,0.0,-9.14487,-8.9,-1.42,-9.34216498848472
CN(C)c1ccc([C@@H](CNC(=O)Nc2cccs2)[NH+]2CCc3ccccc3C2)cc1,C22419138_decoy,HS90A,Decoy,0.0,-10.5919,-8.21,-3.55,-8.950211925169732
NS(=O)(=O)c1ccc(OCC[NH+]2CCc3sccc3[C@@H]2c2ccccc2)cc1,C24945976_decoy,HS90A,Decoy,0.0,-8.86659,-8.22,-3.7,-7.420084945537664
CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[NH+](Cc2ccc(C)cc2)C1,C30939454_decoy,HS90A,Decoy,0.0,-8.81755,-6.41,-1.65,-6.770967069507209
Cc1ccc(-c2csc3nc(C[NH+](CC(C)(C)O)C4CC4)[nH]c(=O)c23)c(C)c1,C35746414_decoy,HS90A,Decoy,0.0,-9.052,-7.16,-0.48,-7.007025688371401
Cc1ccc(-c2cn(-c3ccc(C)cc3)/c(=N/C(=O)C[NH2+]Cc3ccccc3)[nH]2)cc1,C36039451_decoy,HS90A,Decoy,0.0,-9.65234,-9.08,-2.5,-9.924942496555392
COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CC[NH+]1CC(=O)Nc1ccccc1,C04302145_decoy,HS90A,Decoy,0.0,-9.32426,-8.47,-2.28,-8.608364117129446
CN1CCCc2cc([C@H](CNC(=O)Nc3cccs3)[NH+]3CCCC3)ccc21,C36705360_decoy,HS90A,Decoy,0.0,-9.94001,-8.55,-1.27,-10.347439737207932
Cc1cccc(N[C@@H](c2ccc(F)cc2)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1,C38546969_decoy,HS90A,Decoy,0.0,-9.71141,-6.0,-1.34,-6.576263093172571
Cc1cc[nH+]c(N[C@@H](c2ccc(F)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,C38547576_decoy,HS90A,Decoy,0.0,-9.55797,-10.44,-3.31,-9.95995809960166
O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH+](Cc2cccnc2Nc2ccc(F)cc2)C1,C39198274_decoy,HS90A,Decoy,0.0,-9.88479,-8.57,-1.39,-8.863359901262475
CC1=C(C[NH2+]C[C@@H]2CN(c3ccc(F)cc3)N[C@@H]2c2ccccc2Cl)[C@@H](C)N=N1,C39543389_decoy,HS90A,Decoy,0.0,-9.11204,-5.87,-1.57,-6.385409400119126
CC[C@@H](C(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)C2(CC[NH2+]CC2)C1)c1ccccc1,C39596887_decoy,HS90A,Decoy,0.0,-9.87119,-9.14,-3.43,-10.792395619321717
Cc1ccccc1CCNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC12CC[NH2+]CC2,C39691050_decoy,HS90A,Decoy,0.0,-9.90934,-8.17,-3.33,-9.30657651521281
Cc1ccccc1CCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,C39691109_decoy,HS90A,Decoy,0.0,-10.4569,-8.35,-1.33,-7.777447668578161
Cc1cc(N(C)C)ccc1NC(=O)NC1CC[NH+](Cc2ccccc2F)CC1,C47520629_decoy,HS90A,Decoy,0.0,-8.50628,-5.51,-3.07,-5.484884196138305
CC(C)NC(=S)N1CCC2(CC1)[NH2+][C@@H](C(C)C)C(=O)N2[C@@H](C)c1ccccc1,C50834629_decoy,HS90A,Decoy,0.0,-8.35537,-5.3,-1.52,-6.051785348630784
CCCCNC(=O)[C@@H]1CCC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1,C51062706_decoy,HS90A,Decoy,0.0,-9.82136,-5.13,-3.92,-6.801012553944885
O=c1[nH]c2c(cc1C[NH2+]Cc1ccccc1Cl)c(-c1ccc(F)cc1)nn2-c1ccccc1,C13564711_decoy,HS90A,Decoy,0.0,-10.1028,-10.17,-2.83,-8.801497944044433
C[C@H](CNC(=O)NC[C@H]1CCN(c2ccccc2)C1)[NH+]1CCc2ccccc2C1,C41329714_decoy,HS90A,Decoy,0.0,-9.67874,-7.01,-2.57,-6.65940241176371
Cc1cc2c(cc1Br)=[NH+]C(=O)C=2NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1,C13477641_decoy,HS90A,Decoy,0.0,-9.42022,-5.97,-1.73,-6.830595386558445
O=C(C[NH+](C1CC1)[C@H]1CCCc2ccccc21)Nc1ccccc1C(=O)NC1CC1,C60061527_decoy,HS90A,Decoy,0.0,-8.49052,-8.87,-1.32,-9.198211042145369
C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1cc2ccccc2o1,C60219788_decoy,HS90A,Decoy,0.0,-9.25296,-7.58,-1.88,-6.422052917548328
NC(=O)c1ccccc1OCC(=O)C1=c2ccccc2=[NH+][C@@H]1c1ccc(F)cc1,C39934257_decoy,HS90A,Decoy,0.0,-8.08839,-10.48,-2.2,-8.936513158667065
O=C(CNc1ccc(Br)cc1Br)N/N=C\C1=c2ccccc2=[NH+]C1,C63428570_decoy,HS90A,Decoy,0.0,-9.11934,-8.97,-3.19,-9.190199750590214
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCc2ccccc2F)cc1,C63752443_decoy,HS90A,Decoy,0.0,-8.49072,-10.24,-1.67,-9.63560566066513
Cc1ccc(C(=O)NC2=c3ccccc3=[NH+][C@@H]2C(=O)NCc2cc(F)cc(F)c2)cc1,C63752505_decoy,HS90A,Decoy,0.0,-7.41766,-10.37,-1.07,-8.396817465320801
Cc1ccc2c(c1)=C(NC(=O)c1ccc(Cl)cc1)[C@H](C(=O)NCCC1=CCCCC1)[NH+]=2,C63752523_decoy,HS90A,Decoy,0.0,-10.0991,-8.81,-2.31,-9.351469819588273
Cc1ccc(N2C=C(CN(C)Cc3[nH]c(C)c[nH+]3)[C@@H](c3cccc(C)c3)N2)cc1,C64031544_decoy,HS90A,Decoy,0.0,-7.57975,-9.58,-1.4,-8.730211579672806
O=C(NC1=c2cc(F)ccc2=[NH+][C@@H]1C(=O)NCCc1ccccc1)c1ccccc1,C64491152_decoy,HS90A,Decoy,0.0,-8.48671,-8.39,-4.83,-8.117670917389356
Cc1ccc2c(c1)=C(CCNC(=O)C1=CC3=C(c4ccc(Cl)cc4)NN(C)[C@H]3S1)C[NH+]=2,C64540077_decoy,HS90A,Decoy,0.0,-10.1577,-10.21,-1.55,-9.657826621775868
CC1=c2cc(Cl)cc(CNC(=O)C[C@H]3CCC(=O)N3)c2=[NH+][C@H]1c1ccccc1,C64609947_decoy,HS90A,Decoy,0.0,-8.97842,-10.55,-1.99,-8.520861596945
O=C(CN1c2ccc(Cl)cc2C[C@@H]1c1cccs1)NCCc1c[nH]c[nH+]1,C64622776_decoy,HS90A,Decoy,0.0,-12.5361,-8.9,-1.01,-10.054810590976986
O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)Nc1cccc(N2CCCC2)c1,C64754315_decoy,HS90A,Decoy,0.0,-8.78445,-6.23,-1.74,-5.076474258125985
O=C(NCCC1=CCCCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1,C65255756_decoy,HS90A,Decoy,0.0,-9.00964,-9.51,-4.41,-9.359890007219082
Cn1cc[nH+]c1CCNC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1,C66233681_decoy,HS90A,Decoy,0.0,-8.09629,-7.96,-3.63,-7.813703572186763
C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1,C66343054_decoy,HS90A,Decoy,0.0,-7.6851,-8.08,-2.84,-5.560818930261032
O=C(CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)NCC1CCCCC1,C66873466_decoy,HS90A,Decoy,0.0,-9.62162,-9.41,-2.1,-7.872485789724479
Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC2CCCCC2)CC1,C66886526_decoy,HS90A,Decoy,0.0,-8.93183,-7.92,-2.49,-7.910521633322257
CCCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)c3ccc(Cl)cc3)c2C1,C67491741_decoy,HS90A,Decoy,0.0,-9.90024,-8.52,-2.22,-8.698703707307534
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)sc2c1CCC2,C08622718_decoy,HS90A,Decoy,0.0,-10.078,-7.91,-1.93,-10.003204421564828
CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc(C(=O)Nc2ccccc2)c1C,C01464697_decoy,HS90A,Decoy,0.0,-9.49626,-9.58,-1.93,-10.742176207665125
CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc(C(=O)Nc2ccccc2)c1C,C01464696_decoy,HS90A,Decoy,0.0,-8.78848,-7.26,-1.16,-6.587686928122328
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)sc(-c2ccccc2)c1C,C08940282_decoy,HS90A,Decoy,0.0,-8.83631,-9.7,-1.9,-9.445298523891452
Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1,C08946824_decoy,HS90A,Decoy,0.0,-8.05867,-8.54,-1.72,-10.39346523324912
CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O,C08947841_decoy,HS90A,Decoy,0.0,-7.83029,-11.03,-3.82,-10.530502113373622
CSc1ccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)o2)cc1,C09293193_decoy,HS90A,Decoy,0.0,-8.94991,-6.31,-1.84,-5.173699465360695
CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/N=C3/C[C@H]4CC[C@]3(C)C4(C)C)NC2=O)cc1,C09973080_decoy,HS90A,Decoy,0.0,-8.66694,-8.73,-1.24,-7.464478169183028
CC(C)c1nnc(NC(=O)CSc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)s1,C11667668_decoy,HS90A,Decoy,0.0,-12.0699,-8.62,-4.58,-9.902850009644991
O=C(CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12)Nc1ccccc1F,C01325816_decoy,HS90A,Decoy,0.0,-11.792,-9.95,-3.62,-9.651377875091573
Cc1cc(C)nc(N/N=C/c2c(Nc3ccc(SC(F)F)cc3)nc3c(C)cccn3c2=O)n1,C12524507_decoy,HS90A,Decoy,0.0,-8.32995,-8.55,-1.92,-7.509690977666264
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1,C14124361_decoy,HS90A,Decoy,0.0,-9.22518,-9.18,-3.57,-8.441207505552017
O=S(=O)(Nc1nc2ccccc2nc1NCc1cnn(-c2ccccc2)c1)c1ccccc1,C14315031_decoy,HS90A,Decoy,0.0,-10.2874,-9.73,-1.6,-9.247920648074428
C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)C1=O,C14809767_decoy,HS90A,Decoy,0.0,-9.21591,-10.16,-2.39,-9.00564103264505
CC(C)c1ccccc1-n1c(SCC(=O)NC(=O)NC2CCCCC2)nnc1-c1cccnc1,C15183933_decoy,HS90A,Decoy,0.0,-9.13929,-8.05,-3.92,-8.16851969490521
COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c(OC)cc1NC(=O)c1ccccc1,C15466038_decoy,HS90A,Decoy,0.0,-8.52771,-8.58,-3.51,-6.579929020372638
Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1,C16021180_decoy,HS90A,Decoy,0.0,-9.6446,-7.49,-1.87,-6.891582868896505
Cc1ccc(NC(=O)NC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1C,C16626977_decoy,HS90A,Decoy,0.0,-11.2678,-8.18,-2.25,-8.171956946804574
CC[C@H](C)CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccc(C)cc3)CC2)C1=O,C16647743_decoy,HS90A,Decoy,0.0,-9.12306,-6.61,-2.7,-7.007462938216825
O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1,C17632793_decoy,HS90A,Decoy,0.0,-8.57039,-7.25,-2.88,-5.894723014249047
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C,C18354783_decoy,HS90A,Decoy,0.0,-8.0962,-8.01,-2.83,-7.989255338391753
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nccn2-c2cccc(C)c2C)C1=O,C19356225_decoy,HS90A,Decoy,0.0,-8.6048,-6.69,-1.81,-6.40815536853683
Fc1ccc(-c2nnc(CSc3n[nH]c(N/N=C/c4ccc(Br)cc4)n3)o2)cc1,C20833725_decoy,HS90A,Decoy,0.0,-10.8216,-10.22,-2.55,-7.475858411045339
O=C(CSc1ccccc1C(=O)Nc1cccc(-n2cnnn2)c1)NC12CC3CC(CC(C3)C1)C2,C21352512_decoy,HS90A,Decoy,0.0,-9.7132,-8.85,-2.89,-8.844095622995699
Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nn12,C21595305_decoy,HS90A,Decoy,0.0,-11.1524,-6.07,-0.95,-5.451339518851206
CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CSc1cccc3cccc(Cl)c13)C2=O,C21734696_decoy,HS90A,Decoy,0.0,-9.26661,-11.02,-2.19,-8.298118781121651
COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC,C21742661_decoy,HS90A,Decoy,0.0,-8.5645,-6.25,-1.3,-5.9995709371031545
CCCn1cnc2nc(CSc3ccccc3NC(=O)Nc3cccc(Cl)c3C)cc(=O)n21,C21800963_decoy,HS90A,Decoy,0.0,-8.86259,-8.73,-2.09,-8.55109721722575
CC(C)Cn1cnc2nc(CSc3ccccc3NC(=O)Nc3ccc(F)cc3F)cc(=O)n21,C21801007_decoy,HS90A,Decoy,0.0,-10.0296,-9.83,-2.96,-9.120319205939266
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c[nH+]c2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1C,C21883454_decoy,HS90A,Decoy,0.0,-9.37037,-10.92,-1.78,-14.41341551896262
CC(=O)N/C(=C\c1ccccc1)C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O,C21998111_decoy,HS90A,Decoy,0.0,-8.17602,-10.43,-1.96,-10.74972411744775
C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)C(C#N)=C1Nc2ccccc2N1,C24225574_decoy,HS90A,Decoy,0.0,-8.91219,-5.7,-1.72,-5.417936062682041
CCOC(=O)C1=C(CSc2nc3ccsc3c(=O)n2C)NC(=O)N[C@H]1c1ccc(Cl)cc1,C29906855_decoy,HS90A,Decoy,0.0,-9.39184,-7.43,-3.3,-7.84028060579653
COc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1S(=O)(=O)NC1CCCC1,C31600418_decoy,HS90A,Decoy,0.0,-8.7023,-9.09,-1.22,-10.49813194254962
COc1ccccc1CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCC4)ccc3[nH+]2)CC1,C33010425_decoy,HS90A,Decoy,0.0,-10.0532,-6.41,-1.48,-6.022238779293506
C[C@H](NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1)c1ccccc1,C35146110_decoy,HS90A,Decoy,0.0,-10.0352,-7.46,-2.77,-7.472991281383938
COc1ccccc1NC(=O)N1C[C@@H](C(=O)Nc2ccc(OC)c(OC)c2)C[C@@H](c2ccccc2)C1,C35915029_decoy,HS90A,Decoy,0.0,-10.3924,-8.64,-3.37,-8.681555964093404
CCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O,C36727411_decoy,HS90A,Decoy,0.0,-8.63686,-9.7,-1.36,-10.075097812306904
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O,C02652415_decoy,HS90A,Decoy,0.0,-10.0207,-8.65,-3.6,-13.017986494878947
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc(OC)c1OC,C38660514_decoy,HS90A,Decoy,0.0,-9.12169,-6.92,-2.79,-7.1925266171984985
COc1cccc(NC(=O)NCCc2csc3nc(-c4cccc(F)c4)nn23)c1OC,C38669600_decoy,HS90A,Decoy,0.0,-7.5153,-9.12,-0.91,-6.822825099128617
O=S(=O)(Nc1ccc(-c2ccccc2)cc1N1CCN[C@@H](F)C1)S(=O)(=O)Oc1ccccc1,C39482091_decoy,HS90A,Decoy,0.0,-9.45598,-6.74,,99.0
N#C[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)O[C@H]1NC(=O)CSc1nc(-c2ccncc2)n[nH]1,C39963484_decoy,HS90A,Decoy,0.0,-9.72559,-5.84,-2.67,-6.072732208011645
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1C,C40914404_decoy,HS90A,Decoy,0.0,-9.04928,-5.14,-1.62,-5.464308906208247
COC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)Nc2ccccc2C)c1C,C44827100_decoy,HS90A,Decoy,0.0,-9.08045,-7.71,-2.64,-7.264117384914635
COc1ccc(C)cc1NC(=O)NCCn1nc(-c2sc(-c3cccs3)nc2C)ccc1=O,C49469272_decoy,HS90A,Decoy,0.0,-11.2681,-10.09,-2.44,-10.013629917379465
Cc1cc(C)nc(N/C(=N/C(=S)NC2CC2)N2CCN(c3nsc4ccccc34)CC2)n1,C14161419_decoy,HS90A,Decoy,0.0,-10.758,-5.41,-1.88,-7.223030560700395
CCc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)cc1,C16162397_decoy,HS90A,Decoy,0.0,-7.63593,-7.26,-2.0,-6.586491685346413
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)cc2)C1,C59775221_decoy,HS90A,Decoy,0.0,-11.611,-9.62,-2.0,-9.066159877768566
COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C,C18083288_decoy,HS90A,Decoy,0.0,-11.2022,-10.88,-2.28,-9.82764442826844
CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N(C(=O)CC(C)(C)C)C2)c1,C03839084_decoy,HS90A,Decoy,0.0,-10.2788,-7.09,-3.36,-8.772062883437266
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(O)cc3)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc(O)cc1,C01820105_decoy,HS90A,Decoy,0.0,-9.14649,-9.11,-1.3,-8.405949356857633
COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)NCc2cccs2)cc1,C04222147_decoy,HS90A,Decoy,0.0,-11.9809,-6.14,-4.31,-7.86643107932197
COCCNC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]21C,C04222305_decoy,HS90A,Decoy,0.0,-10.2806,-5.17,-1.52,-6.307528146574473
CC(C)C[C@H](CO)NC(=O)C[C@@H]1c2nc(NC(=O)c3cccc(F)c3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]21C,C04222490_decoy,HS90A,Decoy,0.0,-12.0951,-5.86,-1.87,-8.64958715931105
CC(=O)N[C@H]1CCN(C(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@](C)(CO)[C@H](OC(=O)Nc4ccc(Oc5ccccc5)cc4)CC[C@]32C)C1,C04236757_decoy,HS90A,Decoy,0.0,-9.40916,-11.19,-4.21,-9.944128310537517
OCN(CO)c1nc(CCC(Br)(Br)Br)nc(N(CO)CO)n1,C01871634_decoy,HS90A,Decoy,0.0,-10.7729,-6.25,-1.47,-9.78977912710567
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@@H](C)[C@@H](O)[C@@](C)(O)[C@@H]3O)c21,C05497014_decoy,HS90A,Decoy,0.0,-9.10938,-5.38,-0.66,-5.772879037881938
Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C,C03302136_decoy,HS90A,Decoy,0.0,-9.10738,-10.06,-3.34,-6.734904383557354
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(C4CCCCC4)n3N)cc2)nc(C)n1,C02865615_decoy,HS90A,Decoy,0.0,-12.2583,-10.66,-2.53,-10.127020960966185
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1S(=O)(=O)c1ccccc1,C04277877_decoy,HS90A,Decoy,0.0,-11.4205,-10.54,-1.62,-10.631724963473602
CC(C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1,C04277914_decoy,HS90A,Decoy,0.0,-10.0428,-7.27,-2.31,-8.28425517724004
CN(C)c1ccc(/N=C2\S[C@H]3[C@H]([C@@H](O)[C@H](O)C[C@@H]3C(N)=O)N2Cc2ccc(-c3ccccn3)cc2)cc1,C08253780_decoy,HS90A,Decoy,0.0,-10.4385,-5.19,-1.94,-6.443502483697429
Cc1ccccc1C(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1,C09299705_decoy,HS90A,Decoy,0.0,-9.76664,-10.64,-5.44,-9.625957781878894
NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N,C12715992_decoy,HS90A,Decoy,0.0,-9.06647,-8.22,-1.68,-10.085552676314672
NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N,C12716020_decoy,HS90A,Decoy,0.0,-8.74753,-7.43,-1.31,-9.905592178126408
CCOC(=O)C1=C(CSc2nnc(COc3ccc(Cl)cc3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1,C12741566_decoy,HS90A,Decoy,0.0,-9.96049,-9.52,-2.66,-8.978559917891172
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cc(C(N)=O)cc(C(N)=O)c4)cc3C2=O)c1,C13128908_decoy,HS90A,Decoy,0.0,-11.3146,-9.72,-1.25,-10.414315315774386
CC(=O)NCCNC(=O)c1cc(NCc2ccc(F)cc2F)cc(S(=O)(=O)Nc2ccccc2C)c1,C14533863_decoy,HS90A,Decoy,0.0,-10.4509,-9.86,-3.7,-10.556813079373024
CCOC(=O)C1=c2/c(=C/c3ccc(O)cc3)c(N)c(C(=O)OCC)n2C(=O)[C@H](c2ccc(O)cc2)S1,C20167913_decoy,HS90A,Decoy,0.0,-9.38106,-8.39,-1.06,-9.83321766013544
CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NC[C@@H]4CCCO4)cc3N2)cc1,C20613868_decoy,HS90A,Decoy,0.0,-10.0094,-8.76,-2.02,-8.67212449514788
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(-c3ccccc3)n2N)cc1,C20831687_decoy,HS90A,Decoy,0.0,-10.735,-10.17,-2.06,-9.21457536531296
O=C(CSc1n[nH]c(N/N=C/c2ccc3ccc4cccc5ccc2c3c45)n1)NNC(=O)C(F)(F)F,C20837136_decoy,HS90A,Decoy,0.0,-10.6678,-12.74,-2.55,-10.982843829130934
O=C(CSc1n[nH]c(NN=C2CCCCCC2)n1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,C20837802_decoy,HS90A,Decoy,0.0,-10.735,-11.15,-4.51,-8.413602636020237
CC[C@@H](C)Sc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)s1,C20912613_decoy,HS90A,Decoy,0.0,-11.7778,-8.26,-2.4,-7.375511076284108
C/C(=N\Nc1nnc(SCC(=O)Nc2cccc(Br)c2)n1N)c1ccc2ccccc2c1,C21323545_decoy,HS90A,Decoy,0.0,-12.2274,-9.81,-2.06,-9.432952208201558
Nn1c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccn1,C21327918_decoy,HS90A,Decoy,0.0,-10.7142,-10.17,-3.07,-8.664534434098922
Cc1c(O)ccc2cc(NC(=O)c3cccc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)n3)c(=O)oc12,C28708408_decoy,HS90A,Decoy,0.0,-9.73358,-6.58,-2.09,-5.816132442578581
CCN(C(=O)CSc1nnc(-c2cccc(F)c2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C32667857_decoy,HS90A,Decoy,0.0,-9.97429,-10.16,-0.6,-11.834918594755026
C[C@H](NS(=O)(=O)c1cc(NC(=O)Cc2cccs2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1,C34919929_decoy,HS90A,Decoy,0.0,-12.2341,-9.34,-3.54,-11.259320535590092
CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1c(O)cc(O)cc1O)N(Cc1ccco1)C(=O)c1c(O)cccc1O,C36500502_decoy,HS90A,Decoy,0.0,-10.0275,-7.33,-2.74,-8.292527723447717
Cc1c(NC(=O)C2CC2)cccc1NC(=O)C1CCC(C(=O)Nc2cccc(NC(=O)C3CC3)c2C)CC1,C36568563_decoy,HS90A,Decoy,0.0,-10.3225,-10.42,-4.02,-9.360895392526654
Cc1ccc(CN(C(=O)c2c(O)cccc2O)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2cccc(O)c2)o1,C36597435_decoy,HS90A,Decoy,0.0,-8.98278,-6.61,-1.58,-7.468517890804778
Cc1ccc(CN(C(=O)c2ccc(F)cc2)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2c(O)cc(O)cc2O)o1,C36602765_decoy,HS90A,Decoy,0.0,-9.03339,-5.52,-0.63,-6.8930877162415305
CC(C)CN(C(=O)CSc1nc(-c2ccccc2)cn1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C12525272_decoy,HS90A,Decoy,0.0,-10.2969,-10.46,-4.05,-12.762595829051834
NN1[C@@H](SCC(=O)Nc2ccc(Br)cc2F)NN[C@@H]1[C@@H]1C=C(c2ccc(F)cc2)N=N1,C39016701_decoy,HS90A,Decoy,0.0,-10.2594,-6.32,-1.71,-6.200626661958915
CCOc1ccc(N2C(SCC(=O)Nc3ccc(CC)cc3)=NN[C@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1,C39362543_decoy,HS90A,Decoy,0.0,-10.9443,-10.73,-1.14,-10.883910386301311
O=C(C[C@H]1CS[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)N1)NCCc1c[nH]c2ccccc12,C39707796_decoy,HS90A,Decoy,0.0,-10.3658,-10.98,-3.4,-9.866074821875603
CC[C@H](C(=O)Nc1scc(-c2ccc(C)cc2)c1C(N)=O)n1c(N)nnc1SCCc1ccccc1,C40172745_decoy,HS90A,Decoy,0.0,-11.161,-7.15,-4.54,-8.73308848383433
CC[C@H](C(=O)Nc1scc(-c2ccc(C)cc2)c1C(N)=O)n1c(N)nnc1SCc1ccccc1,C40173004_decoy,HS90A,Decoy,0.0,-10.7342,-6.82,-4.2,-8.104058312264472
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1,C40400239_decoy,HS90A,Decoy,0.0,-11.3386,-6.96,-2.84,-7.766626955301634
O=C(NNc1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1cccc(Cl)c1,C40658580_decoy,HS90A,Decoy,0.0,-9.29225,-11.09,-3.75,-8.958038032371597
COc1ccc(N2CCN(c3nc(N)c([N+](=O)[O-])c(Nc4sc5c(c4C(N)=O)CCCC5)n3)CC2)cc1,C41026379_decoy,HS90A,Decoy,0.0,-10.717,-9.13,-2.2,-8.989153704749356
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@@]4(C(=O)Nc5c(Cl)cc(C)cc54)[C@@H]3C2=O)cc1,C20610662_decoy,HS90A,Decoy,0.0,-8.42768,-6.29,-3.42,-6.569382309538433
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(N[C@@H]3CCC(N)=O)C(=O)Nc3c2ccc(Cl)c3C)cc1,C20611581_decoy,HS90A,Decoy,0.0,-9.65007,-5.57,-2.02,-6.044109238551797
O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@]1(N[C@@H]2Cc2ccc(O)c(O)c2)C(=O)Nc2ccc(F)cc21,C16020682_decoy,HS90A,Decoy,0.0,-10.7592,-8.46,-3.26,-7.340492959050402
C=C1C[C@@](O)(c2ccccc2)N(C(=O)CSc2nnc(SCC(=O)N3NC(C)=C[C@]3(O)c3ccccc3)s2)N1,C01655009_decoy,HS90A,Decoy,0.0,-9.35516,-8.78,-2.39,-7.648113156851518
C=C1C[C@@](O)(c2ccccc2)N(C(=O)CSc2nnc(SCC(=O)N3NC(C)=C[C@@]3(O)c3ccccc3)s2)N1,C01655010_decoy,HS90A,Decoy,0.0,-8.52679,-8.72,-1.18,-8.444215219246928
CCc1ccc2c(c1)/C(=N/NC(=O)C1=NC(C)=C(C(=O)N/N=C3\C(=O)Nc4ccc(CC)cc43)[C@H]1C)C(=O)N2,C63129352_decoy,HS90A,Decoy,0.0,-7.00028,-7.64,-3.4,-6.100198412571608
COc1ccc2c(c1)=C(CC[N-]/C(=N\C(=O)CS[C@H]1NN[C@@H](C)S1)Nc1nc(C)cc(C)n1)C[NH+]=2,C63493866_decoy,HS90A,Decoy,0.0,-12.7718,-7.18,-3.55,-10.139046455690826
Cc1nnc(SCC(=O)N2NC3=C(CCC/C3=C\c3cccs3)[C@H]2c2cccs2)n(N)c1=O,C02637812_decoy,HS90A,Decoy,0.0,-11.4873,-8.41,-1.35,-8.907373443721545
NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)sc2c1CCCC2,C02915749_decoy,HS90A,Decoy,0.0,-11.8712,-8.13,-2.83,-8.211770176246453
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)N2CCC(C(N)=O)CC2)C1,C08387244_decoy,HS90A,Decoy,0.0,-9.8768,-5.4,-0.8,-6.25125249671346
COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)Nc1ccc(C)cc1,C03769892_decoy,HS90A,Decoy,0.0,-10.0858,-8.85,-1.22,-11.314833916305233
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C(/NCc1cccc(F)c1)Nc1ccccc1,C08757678_decoy,HS90A,Decoy,0.0,-9.46486,-10.03,-0.98,-9.260403252766103
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3c(C(N)=O)oc4ccccc34)cc2)C1,C09404867_decoy,HS90A,Decoy,0.0,-8.16104,-7.48,-1.2,-6.621244338983145
CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)c2c[nH]c3ccccc23)cc1,C09157266_decoy,HS90A,Decoy,0.0,-8.97878,-9.41,-3.49,-7.948851983365538
NC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)sc2c1CCCC2,C10768353_decoy,HS90A,Decoy,0.0,-10.6131,-8.28,-2.06,-8.51881679382282
Cc1c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)oc2ccc(Br)cc12,C03352934_decoy,HS90A,Decoy,0.0,-11.2909,-9.44,-1.45,-9.855779607433686
CCc1sc(C(=O)NNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=S)[nH]c3c2)cc1C,C12675647_decoy,HS90A,Decoy,0.0,-9.96057,-8.8,-3.2,-7.445946067516797
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)c(I)c1O,C13913949_decoy,HS90A,Decoy,0.0,-8.95868,-6.9,-0.75,-7.699516177349894
O=C(CCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F,C15037758_decoy,HS90A,Decoy,0.0,-11.6562,-10.58,-1.56,-10.160488268963215
Nc1ccc(Br)cc1C(=O)OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1,C16655351_decoy,HS90A,Decoy,0.0,-8.51482,-7.53,-2.37,-6.420774476321126
O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1,C17445976_decoy,HS90A,Decoy,0.0,-10.0174,-5.94,-3.46,-5.375631415440567
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(OC(F)(F)F)cc1)c1c([nH]c(=O)[nH]c1=O)N2,C18200283_decoy,HS90A,Decoy,0.0,-9.06302,-10.22,-2.09,-8.605576290901409
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/Cc3ccccc3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1,C19702999_decoy,HS90A,Decoy,0.0,-11.7097,-7.19,-0.96,-7.529800604163142
N#Cc1c(N)nc(SCC(=O)Nc2ccccc2C(F)(F)F)c(C#N)c1-c1cccs1,C19852362_decoy,HS90A,Decoy,0.0,-9.18043,-9.95,-2.76,-9.542527680792066
O=C(CCc1ccccc1)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1,C20101620_decoy,HS90A,Decoy,0.0,-7.21013,-6.96,-3.96,-6.097175566379585
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1cccc(O)c1O)Nc1ccccc1-3,C21658949_decoy,HS90A,Decoy,0.0,-8.29065,-6.48,-0.61,-5.313776801429786
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CNC(=O)c3ccc(Br)o3)cc2C1,C21969365_decoy,HS90A,Decoy,0.0,-10.9927,-9.11,-2.04,-7.836525624661127
NC(=O)C1CC[NH+]([C@@H](c2cccc(Br)c2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1,C22852030_decoy,HS90A,Decoy,0.0,-10.6691,-5.87,-2.53,-7.356243140200282
CC(=O)Nc1c([O-])[nH+]c(SCC(=O)Nc2cccc3ccccc23)n(-c2ccccc2)c1=O,C09730525_decoy,HS90A,Decoy,0.0,-9.62292,-8.71,-1.96,-9.291903955692437
C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@]2(C)CC[C@H](O)[C@@]3(C)CC=C(C(C)C)C[C@@H]32)O[C@@H](C)[C@@H](O)[C@H]1O,C35271263_decoy,HS90A,Decoy,0.0,-7.16296,-5.61,-1.92,-5.513236413124026
Cc1ccc(-c2c(C)sc3nc(CN(C)[C@H](C)c4ccc(S(N)(=O)=O)cc4)[nH]c(=O)c23)cc1,C23259760_decoy,HS90A,Decoy,0.0,-9.57284,-9.16,-3.0,-10.232175572491965
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCc3ccc(F)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1,C35946845_decoy,HS90A,Decoy,0.0,-10.4594,-8.54,-2.79,-8.04365826228095
C[C@@]12CC[C@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCc3ccc(F)cc3)[C@]1(O)CC[C@H]2C1=CC(=O)OC1,C36602829_decoy,HS90A,Decoy,0.0,-10.2748,-7.9,-1.67,-7.890684684259696
CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12,C01461517_decoy,HS90A,Decoy,0.0,-7.93328,-5.69,-2.12,-4.697865894671702
Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1,C38736658_decoy,HS90A,Decoy,0.0,-10.0908,-8.04,-2.47,-6.970111084933382
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C2=O,C15613955_decoy,HS90A,Decoy,0.0,-8.7454,-9.5,-1.31,-10.27137613037411
O=C([C@@H]1CC(S(=O)(=O)c2ccccc2)=C2Nc3ccccc3C[NH+]21)N(c1ccccc1)c1ccccc1O,C39545127_decoy,HS90A,Decoy,0.0,-9.96117,-6.4,-2.81,-7.257539657229819
CCc1ccc(C(=O)N2C[C@H](C(=O)NCC3CCC(C(=O)[O-])CC3)C3(CC[NH2+]CC3)C2)cc1,C39662698_decoy,HS90A,Decoy,0.0,-9.56911,-4.96,-1.41,-6.031576488775139
O=C1CCCC2=C1[C@@H](c1ccc(-c3ccc(Br)cc3)o1)c1c([nH]c(=O)[nH]c1=O)N2,C39795002_decoy,HS90A,Decoy,0.0,-9.67243,-10.58,-0.86,-11.838276543523586
O=C1CCCC2=C1[C@@H](c1ccc(-c3cc(C(F)(F)F)ccc3Cl)o1)c1c([nH]c(=O)[nH]c1=O)N2,C39795032_decoy,HS90A,Decoy,0.0,-9.14589,-8.07,-1.93,-6.220536789218454
Cc1sc(NC(=O)CSc2nnc(-c3csc4c3CCCCC4)n2C)c(C(N)=O)c1C,C39966345_decoy,HS90A,Decoy,0.0,-11.148,-9.33,-0.88,-9.924171017221076
COc1cccc([C@H]2[NH2+][C@](C(=O)[O-])(c3ccccc3)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]23)c1O,C43221515_decoy,HS90A,Decoy,0.0,-8.23917,-6.03,-2.22,-6.457973551453554
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H]5CCCCNC5=O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C43736912_decoy,HS90A,Decoy,0.0,-9.69922,-6.29,-2.52,-5.816829388457783
C[C@H]1CCc2[nH]c3c(C(=O)NNC(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)cccc3c2C1,C46670519_decoy,HS90A,Decoy,0.0,-10.9581,-9.59,-2.8,-7.938983798206384
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O,C46793137_decoy,HS90A,Decoy,0.0,-8.04219,-8.25,-3.71,-6.594217831656861
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2c(C)cccc21,C35365908_decoy,HS90A,Decoy,0.0,-9.72252,-5.6,-0.99,-6.103573645359968
Cc1ccc2c(c1)[C@]1(N[C@H](Cc3c[nH]c4ccccc34)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2,C16025059_decoy,HS90A,Decoy,0.0,-9.25632,-6.24,-1.73,-6.0860171006619455
CC1=NN(C(N)=S)C(=O)/C1=N\Nc1c(Br)cc(Br)cc1Br,C12275865_decoy,HS90A,Decoy,0.0,-9.75935,-7.83,-0.54,-13.979953584521835
O=C(CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1,C22786823_decoy,HS90A,Decoy,0.0,-10.3815,-9.97,-4.15,-8.676210373183164
Cc1[nH]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1[C@@H](c1ccccc1)[C@@H](C#N)C(N)=O,C59461825_decoy,HS90A,Decoy,0.0,-9.96816,-6.55,-2.41,-5.55000502663212
Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1[C@@H](c1ccc(Br)cc1)[C@@H](C#N)C(N)=O,C59461855_decoy,HS90A,Decoy,0.0,-11.3062,-5.95,-2.56,-6.863808423193593
COc1ccc2c(c1)=C1CCN[C@H](c3c([O-])[nH]c(=O)n(-c4ccc(C)c(Cl)c4)c3=O)[C@@H]1[NH+]=2,C63375002_decoy,HS90A,Decoy,0.0,-8.14056,-8.92,-2.42,-7.189918303775973
O=c1[nH]c([O-])c([C@@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)c(=O)n1-c1ccc(Br)cc1,C63351463_decoy,HS90A,Decoy,0.0,-8.58711,-8.18,-2.88,-7.281248850818747
CC1=C2C(=O)N=C([C@@H](C)S[C@@H]3NN=C(c4ccc(Cl)cc4Cl)N3N)N=C2S[C@H]1C,C38654211_decoy,HS90A,Decoy,0.0,-12.238,-9.74,-0.7,-7.674513296187294
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1Nc2cc(C(F)(F)F)ccc2S(=O)(=O)N1,C64959974_decoy,HS90A,Decoy,0.0,-8.84253,-6.34,-4.65,-5.323625894898746
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1,C16011953_decoy,HS90A,Decoy,0.0,-9.53935,-8.84,-0.74,-9.110904729485084
CC[NH+]1CCc2c([nH]c3ccccc23)[C@@H]1c1c([O-])[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O,C20567651_decoy,HS90A,Decoy,0.0,-8.03867,-9.46,-4.55,-7.654424138580021
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CCCCC1,C04277855_decoy,HS90A,Decoy,0.0,-10.6758,-7.57,-4.38,-8.42038891426558
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CN(C(=O)c2cccnc2)CCN1C(=O)NC1CCCCC1,C04277958_decoy,HS90A,Decoy,0.0,-10.2851,-7.64,-3.73,-8.319989075469415
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1cccs1,C04277974_decoy,HS90A,Decoy,0.0,-8.30853,-8.82,-2.93,-9.170388630730995
Cc1sc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2sc(C)c(C)c2C(N)=O)c(C(N)=O)c1C,C02098446_decoy,HS90A,Decoy,0.0,-10.2026,-7.18,-1.87,-7.221057562560343
CCOC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1,C01065093_decoy,HS90A,Decoy,0.0,-9.31529,-5.11,-3.58,-5.77401513969498
O=C1CCc2cc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)NC3CCCCCC3)ccc2N1,C02929150_decoy,HS90A,Decoy,0.0,-10.5059,-10.8,-2.24,-10.020731866953131
COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1,C03664565_decoy,HS90A,Decoy,0.0,-9.80726,-5.1,-4.02,-6.291739311984001
C[C@]12CC/C(=N/OCC(=O)NCc3ccncc3)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO,C08917984_decoy,HS90A,Decoy,0.0,-12.2101,-10.4,-3.06,-10.630339872145278
Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)n1CC(=O)Nc1ccc(F)c(F)c1F,C09154270_decoy,HS90A,Decoy,0.0,-8.98588,-9.51,-4.01,-9.71816199215181
Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NCc4ccco4)c(N)c3c2-c2ccco2)c(C)c1,C09937241_decoy,HS90A,Decoy,0.0,-10.5042,-9.57,-1.76,-9.197003517626072
NC(=O)c1cc(NC(=O)COC(=O)c2cc(Br)c(Br)s2)cc(C(N)=O)c1,C13146139_decoy,HS90A,Decoy,0.0,-10.1803,-7.56,-3.51,-7.050738766059966
C[C@H]1CCc2c(sc(NC(=O)CSc3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2C(N)=O)C1,C13147954_decoy,HS90A,Decoy,0.0,-10.9352,-9.76,-2.76,-8.656398052599757
COc1ccccc1NC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)Nc2ccccc2OC)[C@@H]1c1ccc(O)cc1,C15081122_decoy,HS90A,Decoy,0.0,-10.2484,-7.06,-1.52,-7.840811587352111
N#CC1=C(N)Oc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2[C@@]12C(=O)Nc1ccc(Br)cc12,C02402703_decoy,HS90A,Decoy,0.0,-8.25252,-5.33,-1.28,-4.778882334952022
Nc1ccc(C(=O)N/C(=C/C=C/c2ccco2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1,C08652853_decoy,HS90A,Decoy,0.0,-9.46295,-11.6,-4.8,-10.84287667691232
Cc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2-c2ccccc2)cc1,C17252531_decoy,HS90A,Decoy,0.0,-6.81227,-4.49,-2.24,-4.634708950459239
CCOC(=O)c1c(N)/c(=C\c2ccc(O)cc2)c2n1C(=O)[C@H](c1ccc(O)cc1)SC=2C(=O)OC,C20167908_decoy,HS90A,Decoy,0.0,-9.49413,-5.62,-3.22,-6.069870078935972
N#C/C(=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1,C02371931_decoy,HS90A,Decoy,0.0,-10.5588,-9.61,-1.41,-9.928042327909749
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O,C21521660_decoy,HS90A,Decoy,0.0,-10.7441,-5.65,-2.86,-6.813633124192362
CCc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(OC)c4O)[NH2+][C@@](Cc4ccc(O)cc4)(C(=O)[O-])[C@@H]3C2=O)cc1,C33613433_decoy,HS90A,Decoy,0.0,-8.24483,-5.38,-1.47,-6.190897323579809
Cc1ccccc1C(=O)N/N=C/[C@]12CC[C@@H](O)C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C36185415_decoy,HS90A,Decoy,0.0,-8.52902,-9.01,-1.47,-7.6780900295534495
CC(C)(O)/C=C/C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@@]3(C)C(=O)C[C@]12C,C36532566_decoy,HS90A,Decoy,0.0,-9.45876,-6.95,-2.04,-6.636271759013545
COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc(O)cc1,C36556601_decoy,HS90A,Decoy,0.0,-9.58311,-8.33,-3.37,-8.559346017509078
NS(=O)(=O)c1ccc(NC2=C[C@@H](c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1,C02214882_decoy,HS90A,Decoy,0.0,-10.6182,-6.28,-3.33,-5.8381266293866
NS(=O)(=O)c1ccc(NC2=C[C@H](c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1,C02214881_decoy,HS90A,Decoy,0.0,-10.0808,-6.12,-3.03,-5.9844897781313255
NN1[C@@H](SCC(=O)N2c3ccccc3Sc3ccccc32)NN[C@@H]1[C@@H]1C=C(c2ccc(F)cc2)N=N1,C38556328_decoy,HS90A,Decoy,0.0,-8.85957,-10.26,-3.48,-12.516517945145589
NN1[C@@H](SCC(=O)N2c3ccccc3Sc3ccccc32)NN[C@H]1[C@@H]1C=C(c2ccccc2)N=N1,C38748341_decoy,HS90A,Decoy,0.0,-8.17735,-8.55,-1.22,-6.294211656679446
Cc1ccc2nc(-c3ccc(NC(=O)CSC4=NN[C@@H]([C@H]5N=NC6=C5CCC6)N4N)cc3)sc2c1,C38752269_decoy,HS90A,Decoy,0.0,-11.8894,-6.11,-2.05,-7.368886130594952
Cc1ccc2nc(-c3ccc(NC(=O)CSC4=NN[C@@H]([C@@H]5N=NC6=C5CCC6)N4N)cc3)sc2c1,C38752277_decoy,HS90A,Decoy,0.0,-12.1844,-4.92,-2.46,-5.800097533145144
NN1[C@H](SCC(=O)Nc2cccc(C(F)(F)F)c2)NN[C@H]1[C@@H]1C=C(c2ccc(Cl)cc2)N=N1,C38989409_decoy,HS90A,Decoy,0.0,-11.2052,-8.28,-2.17,-7.414963499144714
NN1[C@H](SCC(=O)Nc2ccccc2-c2ccccc2)NN[C@H]1[C@@H]1C=C(c2ccc(F)cc2)N=N1,C39001061_decoy,HS90A,Decoy,0.0,-8.99592,-11.16,-1.43,-7.046431278312152
NN1C(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NN[C@H]1[C@@H]1N=NC2=C1CCC2,C39012175_decoy,HS90A,Decoy,0.0,-8.3769,-9.56,-1.99,-7.930565746509554
O=C(NCCc1c[nH]c2ccccc12)[C@H]1NNS[C@H]1NC(=O)N1CCC(Cc2ccccc2)CC1,C39326481_decoy,HS90A,Decoy,0.0,-9.33802,-10.5,-3.31,-9.104565229038515
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(F)cc1)Nc1cccc(Cl)c1,C39362776_decoy,HS90A,Decoy,0.0,-9.26273,-8.95,-0.89,-8.402218738786898
Cc1ccc(C)c(NC(=O)CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccc(Cl)cc2)c1,C39363058_decoy,HS90A,Decoy,0.0,-10.018,-9.18,-0.72,-9.37263682058122
Cc1cc(C)cc(NC(=O)CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccc(Cl)cc2)c1,C39363066_decoy,HS90A,Decoy,0.0,-8.77459,-10.51,-0.98,-10.687512186574295
O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(Cl)cc1)Nc1ccccc1F,C39363072_decoy,HS90A,Decoy,0.0,-9.64248,-8.31,-1.61,-8.50815591346895
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(Cl)cc1)Nc1cccc(F)c1,C39363074_decoy,HS90A,Decoy,0.0,-9.52544,-10.19,-2.56,-8.566024882791591
O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(Cl)cc1)Nc1ccc(F)cc1,C39363080_decoy,HS90A,Decoy,0.0,-10.3866,-8.07,-1.96,-7.989710141092261
CCc1ccc(C2=C[C@H]([C@@H]3NN[C@H](SCC(=O)Nc4ccc(Br)cc4)N3N)N=N2)cc1,C39591001_decoy,HS90A,Decoy,0.0,-8.76398,-10.67,-1.87,-7.415347292734162
O=C([O-])c1ccc2c(=O)[nH]c(CS[C@H]3NN[C@@H](C[NH+]4CCCCC4)N3c3ccc(F)cc3)nc2c1,C39722789_decoy,HS90A,Decoy,0.0,-9.94265,-6.28,-3.26,-7.0543248388521445
O=C1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1,C40399282_decoy,HS90A,Decoy,0.0,-10.142,-8.14,-1.75,-7.214854491123367
O=C1C[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)c2c(nc(Nc3cccc(Cl)c3)[nH]c2=O)N1,C40399371_decoy,HS90A,Decoy,0.0,-8.93549,-8.93,-4.74,-8.11640279706107
O=C1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1,C40400274_decoy,HS90A,Decoy,0.0,-9.19941,-8.41,-3.33,-8.104687328566053
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)c(Cl)c1,C40400335_decoy,HS90A,Decoy,0.0,-8.8179,-9.34,-0.97,-9.456950695660115
C/C(=N\NC(N)=O)[C@]12OC(C)(C)O[C@@H]1C[C@H]1[C@H]3CCC4=C/C(=N\NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C,C43760900_decoy,HS90A,Decoy,0.0,-9.89356,-6.06,-2.75,-6.345528674136545
Cc1c(/N=C(\N)c2ccccn2)ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)c(C)c3C)o2)c1C,C26173300_decoy,HS90A,Decoy,0.0,-9.89675,-7.63,-4.46,-7.099470091508566
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(N[C@@H]3CC(N)=O)C(=O)Nc3c2ccc(C)c3C)cc1,C35363854_decoy,HS90A,Decoy,0.0,-9.56613,-7.41,-2.94,-7.375601512618775
C[C@]12CC[C@H](O[C@H]3O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O,C61389337_decoy,HS90A,Decoy,0.0,-9.55234,-9.58,-2.92,-11.676095859179712
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1n[nH]c2c1CCC2,C09187628_decoy,HS90A,Decoy,0.0,-9.27004,-7.95,-2.96,-7.1458682477338815
CC(C)NC(=O)N1CCN(C(=O)c2cccs2)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1,C04277901_decoy,HS90A,Decoy,0.0,-11.0684,-5.55,-1.73,-7.6371622864049185
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1cccs1,C02226130_decoy,HS90A,Decoy,0.0,-10.0723,-5.23,-1.2,-5.400211475019057
CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O,C04277873_decoy,HS90A,Decoy,0.0,-9.49231,-6.39,-3.34,-6.790382393956698
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cc(Br)c(O)c(Br)c1,C00943099_decoy,HS90A,Decoy,0.0,-8.52478,-7.83,-1.79,-6.123400296376029
Cc1ccccc1Nc1nc(N)nc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)n1,C08745933_decoy,HS90A,Decoy,0.0,-8.71005,-9.96,-1.02,-10.855333708371866
NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C11307041_decoy,HS90A,Decoy,0.0,-8.54925,-9.07,-2.28,-7.836578777817268
C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,C11592336_decoy,HS90A,Decoy,0.0,-10.3673,-9.16,-4.32,-7.929000410629798
Cc1nnc(NC(=O)NC[C@]2(C)C[C@@H](NC(=O)Nc3nnc(C)s3)CC(C)(C)C2)s1,C09684677_decoy,HS90A,Decoy,0.0,-9.97923,-6.44,-2.68,-7.293865775915826
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)sc2n1,C14151925_decoy,HS90A,Decoy,0.0,-9.16922,-10.16,-4.07,-8.97812278276402
Cc1ccccc1NC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)Nc2ccccc2C)[C@@H]1c1ccc(O)cc1,C15081116_decoy,HS90A,Decoy,0.0,-10.0475,-7.18,-0.91,-7.626064870660377
O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1,C16524431_decoy,HS90A,Decoy,0.0,-8.99377,-5.64,-1.02,-6.294556892014506
COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2C)cc1,C17252506_decoy,HS90A,Decoy,0.0,-9.05393,-9.3,-1.16,-9.417258100676031
Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N[C@H]1CCCc2ccccc21,C20487568_decoy,HS90A,Decoy,0.0,-9.44212,-7.56,-1.43,-8.259641638244153
Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc(Br)cc3)n2N)n1,C21316042_decoy,HS90A,Decoy,0.0,-10.9748,-8.85,-1.08,-7.89881058779743
O=C(N[C@H]1CCCc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1,C22618386_decoy,HS90A,Decoy,0.0,-9.50335,-10.78,-2.44,-10.698500611897057
Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1,C14200160_decoy,HS90A,Decoy,0.0,-8.73103,-9.41,-2.19,-7.983177424963074
O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1,C27981351_decoy,HS90A,Decoy,0.0,-11.3602,-9.37,-6.76,-8.803528413067065
C[C@@H](Sc1nnc(Nc2cccc(Br)c2)s1)C(=O)Nc1sccc1C(N)=O,C31693301_decoy,HS90A,Decoy,0.0,-11.165,-9.09,-0.9,-7.9461495496615004
CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc(O)cc1)(C(=O)[O-])[NH2+][C@H]2c1cc(C)c(O)c(C)c1,C33771986_decoy,HS90A,Decoy,0.0,-10.8513,-8.76,-1.86,-10.01486549715587
N#Cc1c(-c2nc3ccccc3o2)c(=O)oc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12,C35395277_decoy,HS90A,Decoy,0.0,-9.60831,-8.12,-2.84,-6.599002620287303
CC1=C(C(=O)NC(=S)NNC(=O)[C@H]2C=C(c3ccc(F)cc3)N=N2)[C@H](c2ccccc2)NO1,C38626806_decoy,HS90A,Decoy,0.0,-8.46353,-10.16,-0.85,-8.276052931994059
Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C([NH3+])[N-]C2=NC(SCc3cccc(F)c3)=NC(=O)[C@@H]21,C39217863_decoy,HS90A,Decoy,0.0,-9.4393,-7.93,-1.37,-7.803911158137641
Cc1cccc(NC(=O)CSC2=NN[C@@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccccc2)c1C,C39361526_decoy,HS90A,Decoy,0.0,-9.28198,-8.89,-3.03,-8.031663757855013
O=C(CSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)Nc1cccc(Cl)c1,C39361540_decoy,HS90A,Decoy,0.0,-9.66079,-9.03,-2.8,-9.22652481067253
O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)Nc1ccc(Cl)cc1,C39361541_decoy,HS90A,Decoy,0.0,-10.4876,-10.35,-3.79,-10.798156737442998
Cc1cccc(N2C(SCC(=O)Nc3ccccc3C)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361696_decoy,HS90A,Decoy,0.0,-9.00851,-10.92,-0.53,-9.449916979366613
Cc1cccc(N2C(SCC(=O)Nc3cccc(Cl)c3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361716_decoy,HS90A,Decoy,0.0,-10.0479,-4.8,-2.0,-5.7422024161052745
Cc1ccc(C)c(N2C(SCC(=O)Nc3ccccc3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361846_decoy,HS90A,Decoy,0.0,-9.46455,-8.96,-2.99,-9.984835588816606
Cc1cc(C)cc(NC(=O)CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccc(F)cc2)c1,C39362759_decoy,HS90A,Decoy,0.0,-7.32757,-9.96,-1.2,-8.479361525640424
Cc1cc(NC(=O)CSC2=NN[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccc(Cl)cc2)no1,C39363137_decoy,HS90A,Decoy,0.0,-9.20009,-9.82,-3.57,-10.732539852678288
O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1,C39559095_decoy,HS90A,Decoy,0.0,-9.8716,-9.82,-0.9,-12.182724586967986
O=C1CCCC2=C1[C@@H](C1=C(c3cccs3)NN(c3ccccc3)C1)c1c([nH]c(=O)[nH]c1=O)N2,C39957530_decoy,HS90A,Decoy,0.0,-10.1188,-5.84,-0.7,-6.919812969170788
O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1,C40399300_decoy,HS90A,Decoy,0.0,-8.32714,-9.76,-0.4,-8.306164222336314
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)c(C)c1,C40399524_decoy,HS90A,Decoy,0.0,-8.55827,-9.57,-1.17,-7.632626588981868
O=C(NNc1ncnc(NNC(=O)c2ccccc2Br)c1[N+](=O)[O-])c1ccccc1,C40657250_decoy,HS90A,Decoy,0.0,-9.25303,-7.4,-1.66,-6.6354945064371
Cc1ccccc1NC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2C)[C@H]1c1cccc(O)c1,C41006396_decoy,HS90A,Decoy,0.0,-9.32782,-6.92,-3.81,-8.638111242302609
CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1)CCCC2,C45481012_decoy,HS90A,Decoy,0.0,-10.758,-10.24,-1.36,-9.802734064559948
NC(=O)[C@@H]1CC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)=NN1c1ccccc1,C46567263_decoy,HS90A,Decoy,0.0,-8.591,-10.46,-1.04,-10.96226566402229
[NH3+][C@H](Cc1nc(-c2ccc(F)cn2)no1)C(=O)NC1=C(C(=O)[O-])C[C@H](c2cccc(F)c2)CC1,C49111654_decoy,HS90A,Decoy,0.0,-10.2331,-8.69,-1.8,-8.656434855129772
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2Cc2ccc(O)c(O)c2)C(=O)Nc2ccc(Cl)cc21,C16022224_decoy,HS90A,Decoy,0.0,-10.2504,-9.49,-0.75,-9.511158034575525
NC(=O)c1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)sc2c1CCC2,C00919716_decoy,HS90A,Decoy,0.0,-7.89519,-6.95,-2.59,-5.923101360996754
CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1,C31749176_decoy,HS90A,Decoy,0.0,-10.8516,-7.07,-2.39,-7.590178371849242
NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](c1ccc(OC(F)(F)F)cc1)NS2(=O)=O,C59590114_decoy,HS90A,Decoy,0.0,-10.2053,-6.03,-0.4,-5.886525317622921
O=C(CNC(=O)NC1CCCCC1)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1,C59829599_decoy,HS90A,Decoy,0.0,-10.0575,-9.09,-3.01,-9.207548480552193
NC(=O)N[C@@H](CC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21)c1cccs1,C59921706_decoy,HS90A,Decoy,0.0,-12.1707,-8.76,-2.41,-15.31697779274648
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1,C60369330_decoy,HS90A,Decoy,0.0,-10.4209,-11.41,-3.91,-11.036963951316626
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1,C60369483_decoy,HS90A,Decoy,0.0,-8.4334,-10.04,-2.81,-8.121024591283792
CCC[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)NC(=O)c1ccc2c(c1)NC(=O)CN2C,C60378632_decoy,HS90A,Decoy,0.0,-10.761,-8.69,-2.6,-9.051489797226967
NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12,C15968246_decoy,HS90A,Decoy,0.0,-8.03063,-7.92,-1.1,-7.297140487543543
CC(C)C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O,C39554916_decoy,HS90A,Decoy,0.0,-9.67427,-5.96,-3.1,-6.45560094520465
CSc1cccc(NC(=O)N[C@H]2CCN3C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H]3C2)c1,C03841159_decoy,HS90A,Decoy,0.0,-9.88684,-10.51,-2.32,-9.624436805230822
Nc1c(C(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1Cl,C02659303_decoy,HS90A,Decoy,0.0,-11.1615,-10.28,-1.36,-15.156738104698988
CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)c(C#N)c(=S)n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c2C1,C05536861_decoy,HS90A,Decoy,0.0,-6.55763,-5.3,-4.91,-4.272294270321908
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1,C02229120_decoy,HS90A,Decoy,0.0,-8.18707,-7.19,-3.73,-5.341529609561112
O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O,C06142205_decoy,HS90A,Decoy,0.0,-9.7833,-9.89,-1.17,-11.617425725787044
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](c1ccccc1Br)NS2(=O)=O,C03225241_decoy,HS90A,Decoy,0.0,-9.39338,-8.03,-1.93,-8.64527676286307
CCOC(=O)[C@@]1(C#N)[C@@H](c2cccc(I)c2)[C@@H](C(N)=O)N2C=C(C(N)=O)C=C[C@@H]21,C08442320_decoy,HS90A,Decoy,0.0,-7.42639,-5.94,-1.59,-4.475945070967382
COC(=O)C1=C(N)n2c(s/c(=C/c3ccc(O)cc3)c2=O)=C(C(=O)OC)[C@H]1c1ccc(O)cc1,C04469751_decoy,HS90A,Decoy,0.0,-10.7689,-9.48,-2.75,-10.63182117310692
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1,C03669889_decoy,HS90A,Decoy,0.0,-10.3401,-6.37,-0.58,-5.183939617540736
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cc(NC(=O)C2CCCCC2)cc(NC(=O)C2CCCCC2)c1,C08908960_decoy,HS90A,Decoy,0.0,-10.6661,-7.09,-1.14,-8.175908569166443
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1,C02213107_decoy,HS90A,Decoy,0.0,-8.89198,-6.29,-1.79,-5.471687656427747
Cc1ccc2nc(NC(=O)CSc3nc(N)c(NC(=O)c4ccc(F)cc4)c(=O)[nH]3)sc2c1,C09518067_decoy,HS90A,Decoy,0.0,-9.79151,-9.12,-1.58,-7.888842504153416
C[C@@]1(Oc2c[nH]c3ccc(Br)c(Cl)c23)O[C@@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O,C09970382_decoy,HS90A,Decoy,0.0,-9.4442,-5.09,-0.92,-5.850040090748154
Cc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1,C12033636_decoy,HS90A,Decoy,0.0,-11.1312,-7.85,-2.93,-8.222793199886132
CCN1C(=O)[C@]2(C(C#N)=C(N)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c2ccccc21,C12412027_decoy,HS90A,Decoy,0.0,-10.082,-7.26,-1.74,-6.881566326373306
COc1ccc([C@@H]2C(C#N)=C(N)N(Nc3cc(=O)[nH]nc3-c3ccccc3)C3=C2C(=O)CCC3)cc1,C12420516_decoy,HS90A,Decoy,0.0,-8.31575,-11.56,-4.3,-9.69500406098224
O=C(NCc1ccccc1)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC(F)(F)F)cc3)[C@@H]21,C08636477_decoy,HS90A,Decoy,0.0,-9.02809,-6.75,-1.58,-7.685148859841511
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@@](Cc1c[nH]c3ccccc13)(C(=O)[O-])[NH2+][C@H]2c1ccccc1O,C09447654_decoy,HS90A,Decoy,0.0,-6.98771,-7.76,-1.66,-7.002810868713197
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccc(S(N)(=O)=O)cc1,C20568335_decoy,HS90A,Decoy,0.0,-9.43642,-5.85,-2.55,-6.122436947685332
Cc1cccc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)nc12,C28715060_decoy,HS90A,Decoy,0.0,-8.97261,-10.25,-2.17,-9.054657271585546
Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3cc(C)c(O)c(C)c3)[NH2+][C@@](Cc3ccc(O)cc3)(C(=O)[O-])[C@@H]2C1=O,C33596999_decoy,HS90A,Decoy,0.0,-8.80143,-10.32,-1.4,-8.474085861688057
O=C(Nc1ccc(Br)cc1)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O,C35686636_decoy,HS90A,Decoy,0.0,-10.9834,-10.55,-1.76,-10.896729347301155
CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc(N)c3c4c(sc3n1)CCCC4)C2=O,C36818918_decoy,HS90A,Decoy,0.0,-10.5682,-7.62,-2.82,-8.278729421707798
NN1[C@@H](SCC(=O)Nc2ccc(F)c(Cl)c2)NN[C@H]1[C@H]1C=C(c2ccc(Cl)cc2)N=N1,C39007652_decoy,HS90A,Decoy,0.0,-11.241,-6.12,-4.15,-6.145561931503889
CCn1c(=O)c(NC(=O)COc2cc(C)c(N)c(C)c2C)c(N)n(-c2cccc3ccccc23)c1=O,C39125173_decoy,HS90A,Decoy,0.0,-9.42108,-10.31,-3.76,-11.221305015283663
O=C(NCCc1c[nH]c2ccccc12)[C@H]1NNS[C@H]1NC(=O)N1CCN(c2ccccc2)CC1,C39326494_decoy,HS90A,Decoy,0.0,-9.76724,-9.98,-2.17,-9.694369349555648
Cc1ccc2[nH]cc(CCNC(=O)C3=NNS[C@@H]3NC(=O)N3CCCC[C@H]3c3cccnc3)c2c1,C39337595_decoy,HS90A,Decoy,0.0,-9.84102,-8.44,-1.99,-9.172200397874343
CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)C2=O,C39561129_decoy,HS90A,Decoy,0.0,-10.2957,-7.02,-1.38,-9.946785756292098
O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccc(Cl)cc3Cl)[nH]c2=O)N1,C40399560_decoy,HS90A,Decoy,0.0,-9.7342,-10.42,-1.85,-11.745696869905506
O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3cccc(C(F)(F)F)c3)[nH]c2=O)N1,C40400290_decoy,HS90A,Decoy,0.0,-8.57989,-8.45,-3.07,-6.518079056729279
NC(=O)c1c(Nc2nc(N3CCC(C(N)=O)CC3)nc3c2cnn3-c2ccccc2)sc2c1CCC2,C41026290_decoy,HS90A,Decoy,0.0,-11.9047,-8.15,-1.95,-8.305887767095028
CC(C)NC(=O)C[C@@H]1c2nc(NC(=O)C3CCCCC3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]21C,C43553418_decoy,HS90A,Decoy,0.0,-11.8413,-6.34,-2.66,-8.403864563019223
C/C(=N\NC(N)=O)[C@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CCC4=C/C(=N\NC(N)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C,C43760901_decoy,HS90A,Decoy,0.0,-8.43214,-7.96,-2.49,-6.30692441320745
C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(N)=O)CCC3)cc1,C44452639_decoy,HS90A,Decoy,0.0,-11.8681,-8.61,-4.41,-8.10705924881997
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCc2ccccc2C1,C44940610_decoy,HS90A,Decoy,0.0,-8.9295,-7.89,-0.81,-8.205850472648239
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O,C01744422_decoy,HS90A,Decoy,0.0,-9.77239,-11.98,-3.46,-12.86040156218194
NC(=O)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12,C16011871_decoy,HS90A,Decoy,0.0,-8.1745,-6.41,-2.5,-5.885111803800492
NC(=O)c1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)sc2c1CCCC2,C09130322_decoy,HS90A,Decoy,0.0,-8.06129,-5.59,-4.51,-5.834166543924248
O=C1[C@H]2[C@H](Cc3c[nH]c4ccc(O)cc34)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1C1CCCC1,C13593515_decoy,HS90A,Decoy,0.0,-10.2645,-8.05,-3.63,-7.887170628948263
NC(=O)c1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)sc2c1CCCC2,C00919722_decoy,HS90A,Decoy,0.0,-7.52221,-6.56,-3.24,-5.672659866882997
O=C1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1,C54202220_decoy,HS90A,Decoy,0.0,-8.74808,-8.53,-4.64,-7.074897507144511
O=C1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1,C54202256_decoy,HS90A,Decoy,0.0,-10.542,-8.06,-2.66,-7.070206592334694
O=C1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2c(nc(Nc3ccc(Cl)cc3)[nH]c2=O)N1,C54202265_decoy,HS90A,Decoy,0.0,-9.19483,-9.29,-0.92,-8.013566909531278
N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1cn(CC(N)=O)nc1-c1ccccc1,C01113147_decoy,HS90A,Decoy,0.0,-9.47241,-5.73,-1.74,-7.278526795494432
C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1=O,C31658847_decoy,HS90A,Decoy,0.0,-8.88811,-7.98,-3.16,-7.388322729257578
Nc1cc(=O)nc(SCC(=O)NNC(=O)c2ccc(Br)cc2)n1-c1ccc(Cl)cc1,C59060655_decoy,HS90A,Decoy,0.0,-9.36548,-9.39,-0.63,-9.07410537726678
O=C1[C@@H]2[C@@H](c3ccccc3O)[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@H]2C(=O)N1c1ccc(F)cc1,C13554555_decoy,HS90A,Decoy,0.0,-8.87819,-7.68,-1.66,-6.743062223215003
Nc1cc(N)nc(SCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)n1,C31818373_decoy,HS90A,Decoy,0.0,-7.50322,-7.98,-1.32,-10.31888661036163
C[C@@H]1NNC(=O)C2=C1[C@@H](C)O[C@@H]2NC(=O)CS[C@@H]1NN(c2ccc(F)cc2)C(=S)S1,C39790095_decoy,HS90A,Decoy,0.0,-7.92625,-8.33,-1.91,-7.236986950154187
C[C@@H]1NNC(=O)C2=C1[C@@H](C)O[C@@H]2NC(=O)CS[C@@H]1NN=C(c2ccccc2)N1c1ccc(Cl)cc1,C39943959_decoy,HS90A,Decoy,0.0,-9.15046,-9.54,-1.8,-8.401909952228698
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C03943903_decoy,HS90A,Decoy,0.0,-7.87885,-9.17,-0.26,-8.386777981276149
CC/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1csc(N)n1,C04215231_decoy,HS90A,Decoy,0.0,-8.82732,-6.6,-2.56,-7.145184555792015
CC(C)NC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O,C04277881_decoy,HS90A,Decoy,0.0,-10.3802,-6.61,-2.22,-7.515298241988435
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@@H]1O,C04349042_decoy,HS90A,Decoy,0.0,-7.04185,-7.72,-0.18,-5.654426434688378
CCOC(=O)[C@@H]1CC[C@]2(O)[C@H]3CC[C@@]4(O)CC(=O)C[C@@H](O)[C@]4(CO)[C@@H]3[C@@H](O)C[C@]12C,C05247515_decoy,HS90A,Decoy,0.0,-8.70121,-5.88,-1.54,-6.775475330631738
NC(=O)c1c(NC(=O)CSc2nnc(-c3cccs3)n2N)sc2c1CCCC2,C10864507_decoy,HS90A,Decoy,0.0,-12.5366,-7.76,-1.86,-8.61818238515322
Cc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2N)cc1,C11308541_decoy,HS90A,Decoy,0.0,-11.0937,-9.75,-2.98,-8.324740773295913
Nc1nc(SCC(=O)Nc2nccs2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1,C12033490_decoy,HS90A,Decoy,0.0,-10.4713,-8.52,-0.94,-7.199790416708803
COc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(I)c(=O)n1C,C16952383_decoy,HS90A,Decoy,0.0,-6.12386,-6.57,-1.67,-5.970544229217239
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CNCCN1C(=O)c1cccs1,C20504977_decoy,HS90A,Decoy,0.0,-9.24873,-9.54,-1.16,-12.429364336792556
C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)c1O,C20527507_decoy,HS90A,Decoy,0.0,-10.7941,-9.49,-4.35,-8.887010695920003
CC(C)[NH2+]C[C@H](COc1cccc2ccccc12)O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O,C21981337_decoy,HS90A,Decoy,0.0,-7.1391,-9.41,-1.72,-10.646850813627244
Cc1ccc(SCC(=O)NNC(=O)C[C@H](NC(N)=O)c2cccc(Br)c2)cc1,C25395490_decoy,HS90A,Decoy,0.0,-9.90858,-9.41,-1.68,-8.24475158711797
NC(N)=Nc1ccc(Cl)c(N2C[C@H](C(=O)N[C@@H](CC(=O)[O-])c3cccnc3)CC2=O)c1,C26733686_decoy,HS90A,Decoy,0.0,-9.38093,-10.29,-3.62,-9.043873701599573
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1,C31820827_decoy,HS90A,Decoy,0.0,-9.56995,-10.46,-0.86,-10.63551840175814
O=C1O[C@@H](c2ccc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)[C@@H](C(=O)[O-])/C1=C/c1ccc(O)cc1,C35458004_decoy,HS90A,Decoy,0.0,-8.13177,-7.94,-1.5,-8.160184827556705
CC1=CC(=O)C[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(O)/C=C/C(C)=C/C(=O)[O-],C35465978_decoy,HS90A,Decoy,0.0,-7.86635,-9.39,-1.76,-8.372627965377179
C[C@H]1C[NH2+][C@H](C(=O)NCCc2ccc(S(=O)(=O)/N=C(\[O-])NC3CCCCC3)cc2)CN1,C21983753_decoy,HS90A,Decoy,0.0,-9.91642,-8.69,-3.18,-7.668294945598848
Nc1cc(Br)cc(Br)c1S(=O)(=O)NCCS(N)(=O)=O,C36744553_decoy,HS90A,Decoy,0.0,-9.42624,-6.61,-0.52,-7.369413686451624
Cc1ccc(C2=C[C@@H]([C@H]3NN[C@H](SCC(=O)Nc4c(C)cccc4C(C)C)N3N)N=N2)cc1,C38984730_decoy,HS90A,Decoy,0.0,-10.124,-8.47,-3.96,-7.672456278348568
NN1[C@@H](SCC(=O)Nc2ccc(Cl)cc2)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1,C38989697_decoy,HS90A,Decoy,0.0,-10.1465,-5.62,-1.51,-5.53695128484134
NN1[C@@H]([C@@H]2C=C(c3ccc(Cl)cc3)N=N2)NN[C@H]1SCC(=O)Nc1cccc(Cl)c1,C38994903_decoy,HS90A,Decoy,0.0,-10.8666,-6.13,-2.07,-5.476531997893475
Cc1ccc(NC(=O)CS[C@@H]2NN[C@H]([C@@H]3C=C(c4ccc(F)cc4)N=N3)N2N)cc1,C38995114_decoy,HS90A,Decoy,0.0,-9.02279,-7.99,-1.25,-6.323443339490817
Cc1ccc(C2=C[C@H]([C@H]3NN[C@H](SCC(=O)Nc4cccc(F)c4)N3N)N=N2)cc1,C38999579_decoy,HS90A,Decoy,0.0,-9.92434,-10.31,-4.13,-8.121203260979671
Cc1ccc(C2=C[C@H]([C@@H]3NN[C@H](SCC(=O)Nc4cccc(C)c4C)N3N)N=N2)cc1,C38999829_decoy,HS90A,Decoy,0.0,-9.94768,-8.82,-5.71,-7.057995632510666
NN1[C@@H](SCC(=O)Nc2cccc3ccccc23)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1,C39007568_decoy,HS90A,Decoy,0.0,-10.2173,-10.95,-1.1,-9.236547005265452
O=C([O-])[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2N[C@@H]1O,C39021465_decoy,HS90A,Decoy,0.0,-8.08939,-10.02,-0.57,-10.472748876465126
NC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2N[C@H]1O)C(=O)[O-],C39021894_decoy,HS90A,Decoy,0.0,-8.88474,-9.01,-1.27,-9.15308141272426
NS(=O)(=O)Nc1cccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1,C39558485_decoy,HS90A,Decoy,0.0,-11.3082,-8.72,-1.09,-9.327795896820811
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1,C39558644_decoy,HS90A,Decoy,0.0,-9.8508,-8.93,-3.78,-7.566609597785721
O=C(CCCNC(=O)c1ccc(F)cc1F)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C39559024_decoy,HS90A,Decoy,0.0,-9.47982,-8.6,-1.85,-7.389602448224722
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O,C39560160_decoy,HS90A,Decoy,0.0,-8.54991,-5.37,-1.92,-5.175777601640023
Cc1ccc(C2=C[C@@H]([C@H]3NN[C@H](SCC(=O)Nc4ccccc4C)N3N)N=N2)cc1,C39007760_decoy,HS90A,Decoy,0.0,-10.4678,-8.44,-2.02,-6.87182259204374
Cc1cccc(N[C@@H]2NN[C@@H](SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])S2)c1C,C39690450_decoy,HS90A,Decoy,0.0,-11.0918,-9.4,-1.95,-10.158982904457943
Cc1ccc(NC(=O)N[C@@H]2N/C(=C\C(=O)NCCc3c[nH]c4ccccc34)CS2)cc1,C39709731_decoy,HS90A,Decoy,0.0,-11.0031,-10.4,-1.16,-8.729161618923586
O=C(C[C@@H]1CS[C@@H](NC(=O)NCc2cccs2)N1)NCCc1c[nH]c2ccccc12,C39709751_decoy,HS90A,Decoy,0.0,-10.1526,-7.58,-2.28,-7.4752716720769055
CCN(CC)c1ccc(/C=N/N[C@H]2N=C3C(=O)N=C([NH-])N=C3N2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1,C39774362_decoy,HS90A,Decoy,0.0,-9.49135,-9.53,-1.6,-10.570908033572737
Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@@H]1CN2,C39960334_decoy,HS90A,Decoy,0.0,-7.01071,-6.41,-2.2,-5.782167084855102
Nc1c(NNC(=O)c2ccccc2Br)ncnc1Nc1ccccc1C(F)(F)F,C40701825_decoy,HS90A,Decoy,0.0,-8.48801,-9.94,-3.61,-13.432457590588657
Cc1ccc(Nc2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2N)cc1,C40782060_decoy,HS90A,Decoy,0.0,-10.109,-6.71,-1.49,-6.449532082822183
Nc1c(NNC(=O)COc2ccccc2)ncnc1Nc1ccc(OC(F)(F)F)cc1,C40795354_decoy,HS90A,Decoy,0.0,-8.09915,-8.66,-3.92,-7.390767942984099
C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3sc4c(c3C(N)=O)CCC4)n2)C1,C41301891_decoy,HS90A,Decoy,0.0,-10.9329,-9.81,-1.03,-9.314680279640577
Cc1ccccc1[C@H]1[NH2+][C@](CCCNC(N)=O)(C(=O)[O-])[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]12,C33476168_decoy,HS90A,Decoy,0.0,-7.6324,-5.74,-2.0,-5.099528174602232
COc1cc([C@H]2[C@@H]3CO[C@]4(O)C(=O)[C@H]2C=C([C@H]2Oc5cc(O)cc(O)c5C(=O)[C@@H]2O)[C@H]34)ccc1O,C43510527_decoy,HS90A,Decoy,0.0,-10.1863,-8.78,-1.19,-7.764502280358871
CCc1cc2c(cc1Br)nc1c(=O)[nH]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO,C43763775_decoy,HS90A,Decoy,0.0,-9.25321,-7.67,-0.75,-8.64604194795631
C[NH+](C)C[C@H]1CCCC[C@]1(O)c1cccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1,C44136182_decoy,HS90A,Decoy,0.0,-6.95514,-5.59,-2.05,-5.671077536452976
CC(=O)N[C@H]1[C@@H]([C@H](O)[C@H](O)CO)O[C@](Oc2ccccc2[N+](=O)[O-])(C(=O)[O-])C[C@@H]1O,C44170561_decoy,HS90A,Decoy,0.0,-5.28971,-5.24,-2.16,-5.273344548655901
Cc1cccc([C@H](CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)NC(N)=O)c1,C46673668_decoy,HS90A,Decoy,0.0,-7.45752,-8.71,-4.88,-5.6413747001458345
NC(=O)N[C@H](CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccccc1F,C46706706_decoy,HS90A,Decoy,0.0,-11.4734,-9.84,-4.63,-10.182395336375311
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc2[nH+]1,C17174553_decoy,HS90A,Decoy,0.0,-10.3412,-9.1,-3.22,-7.214319554592974
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1[C@@H](NC(=O)NC2CCCCC2)CCN1C(=O)c1ccco1,C03839164_decoy,HS90A,Decoy,0.0,-9.69836,-9.9,-4.49,-9.572961454353822
Cn1cccc1C(=O)N1CC[C@H](NC(=O)C2CC[NH2+]CC2)C[C@H]1C(=O)N[C@@H](Cc1cccs1)C(N)=O,C04221677_decoy,HS90A,Decoy,0.0,-10.6568,-5.22,-1.68,-7.068987005143859
C=CCOC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCC[NH+](C)C,C04237016_decoy,HS90A,Decoy,0.0,-11.1469,-4.52,-2.85,-7.172363269805991
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C04349695_decoy,HS90A,Decoy,0.0,-9.10431,-9.11,-1.19,-8.856162147064094
CC(=O)[C@@]1(C)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,C05492718_decoy,HS90A,Decoy,0.0,-8.74484,-7.33,-0.54,-6.092672221039543
C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](C[NH+]7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@@]42O[C@]13O,C08214734_decoy,HS90A,Decoy,0.0,-11.2489,-5.42,-2.93,-6.062681113189042
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1,C04221856_decoy,HS90A,Decoy,0.0,-11.0384,-9.05,-3.11,-9.170678805378566
CC(=O)N(C[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O,C08643765_decoy,HS90A,Decoy,0.0,-7.53053,-8.2,-2.48,-7.99269134782108
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(O)[nH]c(=O)n(CCc3ccc(OC)c(OC)c3)c2=O)[NH2+]1,C08764322_decoy,HS90A,Decoy,0.0,-9.9324,-10.45,-1.14,-15.399137002403888
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(O)[nH]c(=O)n(CCc3ccc(OC)c(OC)c3)c2=O)[NH2+]1,C08764325_decoy,HS90A,Decoy,0.0,-11.2929,-10.38,-2.15,-10.8047166831822
CCCCn1c(N)c(N(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C2CCCC2)c(=O)[nH]c1=O,C09723797_decoy,HS90A,Decoy,0.0,-9.06235,-8.61,-4.0,-8.738233908612127
O=C(OC[C@H]1O[C@@H](O[C@]2(CO)O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(Cl)cc1Cl,C12661064_decoy,HS90A,Decoy,0.0,-8.22731,-9.02,-0.88,-12.454924581562045
NC(=O)c1nsc(C(=O)N(c2cccc3ccccc23)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N,C12703777_decoy,HS90A,Decoy,0.0,-7.99372,-5.76,-3.29,-6.902963417743191
NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1N,C06444813_decoy,HS90A,Decoy,0.0,-9.50787,-8.28,-1.77,-11.916793623979316
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(OCC(N)=O)cc1,C13751674_decoy,HS90A,Decoy,0.0,-10.5764,-8.6,-4.15,-8.439938218508066
NC(=[NH2+])NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C(=O)N21,C13781163_decoy,HS90A,Decoy,0.0,-11.2145,-6.45,-3.86,-7.765474657242586
O=C(Nc1ccccc1)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)C(=O)[O-],C13803655_decoy,HS90A,Decoy,0.0,-10.7307,-8.32,-1.64,-7.622162657584513
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3F)C[NH+]12)NCc1ccc(F)cc1,C15707686_decoy,HS90A,Decoy,0.0,-9.28618,-10.82,-2.15,-9.357736149494672
Nc1cc(C(=O)NN=Cc2ccc(/C=N/NC(=O)c3cc(N)cc([N+](=O)[O-])c3)cc2)cc([N+](=O)[O-])c1,C15774568_decoy,HS90A,Decoy,0.0,-8.45124,-7.78,-6.09,-6.826109779044719
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1,C16958546_decoy,HS90A,Decoy,0.0,-6.06696,-8.87,-2.12,-7.12372545346188
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)[C@H]([NH3+])CCC(=O)[O-],C17161954_decoy,HS90A,Decoy,0.0,-9.87258,-5.77,-3.59,-6.9129491931285685
NC(=O)CSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc([N+](=O)[O-])cc3)n2)s1,C20831969_decoy,HS90A,Decoy,0.0,-10.5475,-8.28,-3.71,-7.706394103939963
CC1(C)CC(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Br)cc3)n2)CC(C)(C)[NH2+]1,C20833714_decoy,HS90A,Decoy,0.0,-10.8115,-9.53,-4.56,-7.754960548069703
O=C([O-])[C@H]1O[C@H](Oc2cnc3c(c2)CCc2cc(Cl)ccc2C3=C2CC[NH2+]CC2)[C@H](O)[C@H](O)[C@H]1O,C22060571_decoy,HS90A,Decoy,0.0,-6.86422,-7.27,-2.73,-5.177076922646663
C[NH2+]CC[C@H](Oc1ccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]2O)c2ccccc12)c1cccs1,C22060630_decoy,HS90A,Decoy,0.0,-8.23402,-8.07,-1.9,-8.807937306216266
NC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC(=O)N3)CC1,C22610443_decoy,HS90A,Decoy,0.0,-9.85811,-7.36,-3.06,-6.609328253662813
Cc1[nH]/c(=N\C(=S)NC(=O)c2ccco2)sc1C(/C=C/c1ccc(Cl)cc1)=N/NC(N)=S,C25585424_decoy,HS90A,Decoy,0.0,-11.8335,-8.62,-2.6,-9.99389254820822
C[NH2+]CC[C@H](Oc1ccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c2ccccc12)c1cccs1,C27103614_decoy,HS90A,Decoy,0.0,-7.15921,-8.69,-2.05,-7.435901167076263
O=C([O-])CCc1cc(Oc2ccc3ccc(=O)oc3c2)c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1O,C31168226_decoy,HS90A,Decoy,0.0,-9.61075,-10.35,-2.0,-11.198629604108168
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,C04245665_decoy,HS90A,Decoy,0.0,-9.16453,-4.86,-2.48,-5.751717358643956
O=C1[C@H]2[C@@H](c3ccc(Oc4ccccc4)cc3)[NH2+][C@@](CO)(C(=O)[O-])[C@@H]2C(=O)N1CC[NH2+]Cc1ccccc1,C33657467_decoy,HS90A,Decoy,0.0,-8.43348,-8.15,-2.84,-7.42437580449242
Cc1c(C(=O)NN)sc2c1c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n2CC(N)=O,C34783335_decoy,HS90A,Decoy,0.0,-10.3589,-9.39,-2.68,-11.380238597649551
CS(=O)(=O)Nc1c(CCC2CCCCC2)ccn(CC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@H]2O)c1=O,C28000503_decoy,HS90A,Decoy,0.0,-11.2416,-7.74,-2.63,-8.569000247349045
NC(=O)c1ccccc1NC[C@H]1[C@@H](C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)N=NN1c1nonc1N,C38688942_decoy,HS90A,Decoy,0.0,-8.50389,-9.82,-2.1,-8.60741148804611
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1,C38732384_decoy,HS90A,Decoy,0.0,-10.0805,-8.47,-1.82,-9.69710663701445
C=C[C@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)n3c4c(c5cc(OC)ccc53)CCN[C@H]4C[C@H]21,C39560092_decoy,HS90A,Decoy,0.0,-7.05122,-5.5,-2.47,-5.67188815621124
CC1=C(C(=O)N2C[C@@H](C(=O)NCc3cc4ccccc4[nH]3)C3(CC[NH2+]CC3)C2)[C@H](c2ccccc2)NO1,C39671588_decoy,HS90A,Decoy,0.0,-10.7369,-6.58,-0.02,-7.148412256853122
O=C(CS[C@H]1NN[C@H](Nc2cccc(Cl)c2)S1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C39692738_decoy,HS90A,Decoy,0.0,-8.83383,-9.11,-2.31,-9.071584630144152
CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@H]1O,C43080071_decoy,HS90A,Decoy,0.0,-9.3071,-10.25,-1.37,-10.398578017946267
CC(C)[C@H]([NH3+])c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1,C43213889_decoy,HS90A,Decoy,0.0,-10.3181,-8.77,-4.34,-8.814032636915284
O=C1[C@H]2[C@@H](c3cccc(OC(F)(F)F)c3)[NH2+][C@@](CO)(C(=O)[O-])[C@@H]2C(=O)N1CC[NH2+]Cc1ccccc1,C33918639_decoy,HS90A,Decoy,0.0,-7.91319,-9.15,-3.41,-8.917964465048984
O=[P@@]([O-])(OCCCCc1ccc2ccc3cccc4ccc1c2c34)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O,C35375784_decoy,HS90A,Decoy,0.0,-8.96597,-12.31,-2.64,-8.47178989164413
O=c1ccc2ccc(O)c(-c3c(O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)c(O)cc4ccc(=O)oc34)c2o1,C49181861_decoy,HS90A,Decoy,0.0,-7.12291,-7.06,-0.4,-4.609444285259717
O=c1ccc2ccc(O)c(-c3c(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)cc4ccc(=O)oc34)c2o1,C49181869_decoy,HS90A,Decoy,0.0,-7.47173,-10.41,-1.76,-12.981473205466044
Cc1c(C)c(S(=O)(=O)N(C(=O)OC(C)(C)C)[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c(C)c2c1OC(C)(C)C2,C49588252_decoy,HS90A,Decoy,0.0,-9.0206,-7.62,-1.49,-10.568019487091028
Cc1cc(C)nc(/N=C(\NC(=S)NCc2ccco2)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1,C14161190_decoy,HS90A,Decoy,0.0,-9.15249,-5.43,-1.64,-7.960207931810084
CCOc1ccc([C@H](CNC(=O)C[C@H](NC(N)=O)c2ccccc2C)C2=c3ccccc3=[NH+]C2)cc1OC,C63117432_decoy,HS90A,Decoy,0.0,-9.66974,-9.42,-3.77,-9.616180893664504
C[C@H]1NNC(=O)C2=C1[C@@H](C)O[C@H]2NC(=O)CS[C@@H]1N[NH+]=C(N2CCOCC2)N1c1cccc(F)c1,C39938528_decoy,HS90A,Decoy,0.0,-9.53067,-7.4,-2.35,-8.899682368823788
CCN[C@H]([NH2+]CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(C(F)(F)F)[n-]c32)cc1OC,C19330025_decoy,HS90A,Decoy,0.0,-8.47325,-7.21,-2.16,-10.73544131954382
CCOc1ccccc1N[C@@H]1NN[C@@H](SCC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])S1,C64684215_decoy,HS90A,Decoy,0.0,-9.19469,-8.07,-2.91,-7.9356207784673565
O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc(O)c2)C1=O,C02451220_decoy,HS90A,Decoy,0.0,-8.54286,-10.81,-1.61,-7.506580436327103
Cc1cc(=O)c2c(o1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1,C01073588_decoy,HS90A,Decoy,0.0,-8.43558,-5.79,-0.61,-4.707745402956756
C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21,C04166286_decoy,HS90A,Decoy,0.0,-7.52242,-5.2,-2.42,-4.538094391621385
CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21,C04181575_decoy,HS90A,Decoy,0.0,-8.53467,-5.9,-0.99,-3.4125468983390017
C[C@H]1C(=O)[C@]23[C@@H]4OC(C)(C)O[C@@H]2C[C@H]2C(C)(C)CC[C@@H](O)[C@@]2(C)[C@H]3[C@@H](O)C[C@@H]41,C04268165_decoy,HS90A,Decoy,0.0,-8.25307,-5.01,-1.86,-3.552360534522248
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1NC(=O)c2c(sc(C)c2C)N1,C04501928_decoy,HS90A,Decoy,0.0,-7.82427,-5.83,-1.03,-4.274855684084243
CN(C)N1C(N)=C(C#N)[C@@H](c2ccc3ccccc3c2)C2=C1CCCC2=O,C01080049_decoy,HS90A,Decoy,0.0,-7.87947,-5.84,0.34,-4.828863649237
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccco1)Nc1ccccc1N2,C00182863_decoy,HS90A,Decoy,0.0,-8.18152,-5.67,-2.76,-4.707355452226351
C=CC(C)(C)[C@@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1Nc1ccccc12,C05487696_decoy,HS90A,Decoy,0.0,-8.28387,-5.19,-1.29,-5.360124856877644
Cc1ccc([C@@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccncc2)cc1,C06487845_decoy,HS90A,Decoy,0.0,-8.41684,-7.44,0.24,-7.223165927262291
O=S1(=O)N[C@@H](CC2=Cc3ccccc3OC2)[C@H](O)c2ccccc21,C09575247_decoy,HS90A,Decoy,0.0,-9.0755,-7.67,-3.2,-4.888297042878439
NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)o1,C10255788_decoy,HS90A,Decoy,0.0,-7.31938,-7.23,-0.32,-7.097955286036721
N#Cc1c(N/C=C2\C(=O)N=C(S)N=C2O)sc2c1CCCC2,C17027311_decoy,HS90A,Decoy,0.0,-11.1879,-7.91,-1.2,-7.297819481908007
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1,C05817596_decoy,HS90A,Decoy,0.0,-8.19983,-4.52,-1.04,-4.757785644843855
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@@H]2C1,C15162281_decoy,HS90A,Decoy,0.0,-6.62287,-8.96,0.05,-5.713403716813716
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)o1,C20086103_decoy,HS90A,Decoy,0.0,-7.5056,-6.74,0.53,-5.561149330804942
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Br)[C@H]2C1,C13513005_decoy,HS90A,Decoy,0.0,-7.63483,-4.67,-1.21,-4.031671112606334
Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1NC(=O)c2ccccc2N1,C20915756_decoy,HS90A,Decoy,0.0,-7.6847,-6.49,-1.68,-5.072054141722654
N#CC1(C#N)[C@H](c2ccc(Cl)cc2)[C@H](C(N)=O)N2C=Cc3ccccc3[C@@H]21,C16034257_decoy,HS90A,Decoy,0.0,-7.62386,-5.38,-1.82,-4.539141652928063
O=C1NC2(CCN(C(=O)c3ccccc3F)CC2)Nc2ccccc21,C34811712_decoy,HS90A,Decoy,0.0,-6.92542,-4.87,-1.62,-4.606802011576096
Cc1cccc2c1C(=O)NC1(CCN(C(=O)c3ccc(Cl)cc3)CC1)N2,C34811942_decoy,HS90A,Decoy,0.0,-8.85077,-5.08,-1.18,-4.855991028118249
Cc1cccc2c1C(=O)NC1(CCN(C(=O)c3ccccc3)CC1)N2,C35937620_decoy,HS90A,Decoy,0.0,-8.1916,-4.84,-1.32,-4.505927624867081
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1cccs1,C00667823_decoy,HS90A,Decoy,0.0,-9.12467,-5.73,-1.54,-5.129271319971937
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3cccnc3)C3=C2C(=O)CCC3)c(C)c1,C01109549_decoy,HS90A,Decoy,0.0,-8.02183,-5.58,-0.19,-5.087399180898689
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CCCC3=O)cc1,C01057135_decoy,HS90A,Decoy,0.0,-7.94182,-8.74,-2.59,-7.424089639114254
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1cccnc1,C01435777_decoy,HS90A,Decoy,0.0,-7.72785,-5.21,-0.72,-4.943116289170638
CN1C(=O)[C@@]2(C(C#N)=C(N)C(C#N)(C#N)C3=CCCC[C@@H]32)c2ccccc21,C04102761_decoy,HS90A,Decoy,0.0,-7.72825,-5.46,-0.86,-2.5351870513164743
O=C([O-])c1ccccc1/[NH+]=C1\C=CN2C(=O)c3ccccc3N[C@@H]2C1,C38200433_decoy,HS90A,Decoy,0.0,-7.24957,-5.72,-0.97,-4.629267496871746
CC1=NC(=O)[C@@H]2C(=C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1,C39352048_decoy,HS90A,Decoy,0.0,-7.3514,-5.08,0.25,-4.048377766223261
O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)C1=C(O)N=N[C@@H]1N2,C39358650_decoy,HS90A,Decoy,0.0,-9.40376,-8.04,-0.93,-8.182761453576699
CC1=C[C@@H]2NC=C(C(=O)N3CCc4[nH]c5ccc(C)cc5c4C3)C(=O)N2C=C1,C39447414_decoy,HS90A,Decoy,0.0,-10.2799,-5.42,-3.08,-4.876625266825371
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)[C@@H](C#N)[C@@H](N)O2,C39793545_decoy,HS90A,Decoy,0.0,-9.30781,-4.71,-0.62,-5.117234491892488
O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12)N1CCc2[nH]nc(C3CCC3)c2C1,C42987485_decoy,HS90A,Decoy,0.0,-8.92307,-7.97,-2.8,-6.623163989571573
O=C(Nc1c(F)cccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1,C43265557_decoy,HS90A,Decoy,0.0,-8.13182,-8.27,-1.03,-5.566952983267236
O=C(Nc1nncs1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1,C47497963_decoy,HS90A,Decoy,0.0,-8.91085,-7.53,-0.53,-6.537672234030918
Cc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c(Br)c1,C48473400_decoy,HS90A,Decoy,0.0,-8.32578,-4.33,-0.89,-3.753710034015659
O=c1cc(-c2ccc(Cl)cc2)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12,C08021137_decoy,HS90A,Decoy,0.0,-7.39492,-9.21,-2.06,-5.672401445602575
O=C1Cc2cc(-c3nc4sc5c(c4c(=O)[nH]3)CCSC5)ccc2N1,C54753489_decoy,HS90A,Decoy,0.0,-9.84093,-7.66,-1.41,-5.938129789061992
NS(=O)(=O)c1cc(C(=O)N2CCCc3cc(F)ccc32)ccc1F,C58457534_decoy,HS90A,Decoy,0.0,-7.08165,-6.93,-0.78,-5.35907655050714
O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(-c3ccc(F)cc3)c2N1,C20717489_decoy,HS90A,Decoy,0.0,-7.33643,-6.14,-0.51,-4.072437872092383
Cc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccc(Cl)cc32)c(C)c1,C20738772_decoy,HS90A,Decoy,0.0,-8.00606,-6.13,-0.54,-4.652195941539147
Cc1cc(C)cc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccc(F)cc32)c1,C32073910_decoy,HS90A,Decoy,0.0,-8.33324,-8.42,-0.8,-5.500783121671519
N#CC1=C(N)OC2=NN=C(c3ccncc3)[C@@H]2[C@H]1c1ccc(F)c(F)c1,C00759062_decoy,HS90A,Decoy,0.0,-7.29983,-8.79,-0.03,-8.089983685000705
N#CC1=C(N)OC2=NN=C(c3cccs3)[C@@H]2[C@H]1c1ccc(F)cc1,C00090722_decoy,HS90A,Decoy,0.0,-7.77695,-7.71,0.09,-8.4450305603153
O=C1N=C2NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1,C63637838_decoy,HS90A,Decoy,0.0,-9.67803,-10.11,-1.11,-14.991649149446896
CC(C)(O)C#Cc1ccc([C@H]2CC(=O)NC3=NN=C(c4ccccc4)[C@@H]32)s1,C65403962_decoy,HS90A,Decoy,0.0,-8.58233,-9.28,-1.21,-7.686847208887894
CN(C)c1nc2c(s1)[C@H](c1ccc(C#CC(C)(C)O)cc1)CC(=O)NC2,C65435646_decoy,HS90A,Decoy,0.0,-11.0823,-9.66,-1.2,-7.943152155013194
CN1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccc(Br)cc12,C66403146_decoy,HS90A,Decoy,0.0,-8.07302,-5.81,-4.45,-2.748287871140798
Cc1cccc2c1C(=O)N(C)[C@@]1(N2)C(=O)Nc2c(Br)cc(F)cc21,C66739724_decoy,HS90A,Decoy,0.0,-8.00718,-6.41,-0.5,-3.330929563605652
CCN1C(=O)c2cc(Cl)ccc2N[C@]12C(=O)Nc1c2ccc(F)c1F,C67454401_decoy,HS90A,Decoy,0.0,-6.53915,-6.55,-1.02,-4.125447686085447
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CSSC[C@@H](NC1=O)C(=O)N2,C03874160_decoy,HS90A,Decoy,0.0,-7.48294,-3.79,-1.62,-5.0952083558165215
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,C03925951_decoy,HS90A,Decoy,0.0,-8.79328,-9.83,-1.47,-9.481020006788905
CSc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)N(C(=O)c3cnccn3)C2)c1,C04200898_decoy,HS90A,Decoy,0.0,-9.99822,-8.77,-3.23,-9.376388533151257
CC(=O)N1CCN(C(=O)C[C@@H]2c3nc(NC(=O)C4CCC4)sc3C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]32C)CC1,C04222466_decoy,HS90A,Decoy,0.0,-11.3702,-6.12,-4.64,-7.403301279559568
COc1ccc(NC(C)=O)c2c(=O)c3c([nH]c12)C(=O)c1c([nH]c2c(OC)ccc(NC(C)=O)c2c1=O)C3=O,C05386037_decoy,HS90A,Decoy,0.0,-8.66801,-4.56,-1.65,-5.651052708429588
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1,C03221476_decoy,HS90A,Decoy,0.0,-8.04689,-10.91,-2.29,-9.218720956367742
CS(=O)(=O)N1CCN(C(=O)Nc2ccccc2)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O,C04277949_decoy,HS90A,Decoy,0.0,-7.74215,-10.65,-1.36,-11.21289300683185
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O,C08143853_decoy,HS90A,Decoy,0.0,-7.57818,-6.72,-3.41,-5.496258799280405
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O,C08143857_decoy,HS90A,Decoy,0.0,-9.26277,-7.05,-3.36,-7.139052759722915
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,C08214530_decoy,HS90A,Decoy,0.0,-8.5538,-6.55,-1.6,-5.574053082362072
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O,C03770029_decoy,HS90A,Decoy,0.0,-10.3471,-7.4,-2.75,-10.888380607370268
COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O,C03764246_decoy,HS90A,Decoy,0.0,-10.1444,-5.48,-1.59,-6.748126944397114
CC[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C,C08791829_decoy,HS90A,Decoy,0.0,-11.2406,-9.44,-2.44,-9.724921699607538
CCOc1cc([C@@H]2C(C#N)=C(N)OC(COC)=C2C(=O)OC)cc([N+](=O)[O-])c1OC(=O)N1CCOCC1,C08856061_decoy,HS90A,Decoy,0.0,-8.74205,-6.98,-0.57,-7.642888456991436
CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1,C08897127_decoy,HS90A,Decoy,0.0,-9.32885,-6.58,-2.6,-8.602254680430578
CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1,C08897133_decoy,HS90A,Decoy,0.0,-9.82375,-8.66,-3.03,-8.871010818712241
COC(=O)NC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CCN(C(=O)OC)C2,C09325475_decoy,HS90A,Decoy,0.0,-10.7623,-6.67,-4.55,-6.917893689079275
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(=O)OCC)C3)cc1,C04177791_decoy,HS90A,Decoy,0.0,-10.2485,-4.99,-3.63,-6.138241763242988
O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NCc1ccco1,C09473310_decoy,HS90A,Decoy,0.0,-10.7345,-10.89,-4.78,-10.22785898272974
CC(=O)Nc1ccc(NC(=O)CSCc2csc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)n2)cc1,C09590363_decoy,HS90A,Decoy,0.0,-9.61616,-9.48,-4.34,-7.6431410245236755
COc1cc(CN(C(=O)c2ccc(NC(C)=O)cc2)[C@H]2CCCCNC2=O)ccc1OCCc1ccccn1,C11786149_decoy,HS90A,Decoy,0.0,-10.5945,-9.65,-1.52,-11.020371390688627
CCOC(=O)C1=C(CSC2=N[C@@H]3[C@H](N2)C(=O)N(C)C(=O)N3C)OC(N)=C(C#N)[C@@H]1c1ccccc1F,C12172483_decoy,HS90A,Decoy,0.0,-9.12906,-7.75,-0.37,-8.451942404899256
CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\NC3=NC(=O)CS3)N(Cc3ccco3)C2=O)cc1,C12580190_decoy,HS90A,Decoy,0.0,-11.4083,-9.03,-3.54,-8.921406599671561
CC(=O)N[C@@H]1[C@@H](O/N=C2/C(=O)N(CCOc3ccccc3C)c3ccc(C)cc32)O[C@H](CO)[C@H](O)[C@@H]1O,C12636371_decoy,HS90A,Decoy,0.0,-5.77782,-7.75,-4.26,-8.992731826095214
Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)oc(C)c12,C12684243_decoy,HS90A,Decoy,0.0,-8.83862,-11.09,-2.16,-9.024503762095616
Cc1cccc(OCC(=O)NNC(=O)c2cccc(NC(=O)C[C@@H]3SC(N4CCCCC4)=NC3=O)c2)c1,C12690187_decoy,HS90A,Decoy,0.0,-11.4058,-9.48,-3.77,-8.671373644370115
CC(C)(CO)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C,C12889286_decoy,HS90A,Decoy,0.0,-9.60993,-6.24,-2.4,-6.7012348778471535
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1OC(F)F,C13489018_decoy,HS90A,Decoy,0.0,-9.50409,-9.2,-2.68,-7.581259263978824
CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/NC3=NC(=O)CS3)N(Cc3ccco3)C2=O)cc1,C16779518_decoy,HS90A,Decoy,0.0,-10.5404,-7.86,-3.68,-8.320842760563641
C/C(=N\Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1)C12CC3CC(CC(C3)C1)C2,C20837469_decoy,HS90A,Decoy,0.0,-12.2345,-8.82,-1.75,-9.105491389672624
Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCCC(=O)Nc2cccc(N3CCCC3=O)c2)n1N,C20911931_decoy,HS90A,Decoy,0.0,-11.2213,-10.35,-4.09,-8.062986356214644
COC(=O)[C@H](O)[C@@](O)(CCC(C)C)C(=O)O[C@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4,C13815721_decoy,HS90A,Decoy,0.0,-10.2245,-6.25,-3.58,-8.18653116667939
CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=C/C(=N\OCC(=O)N[C@@H]5CCCCNC5=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C35361457_decoy,HS90A,Decoy,0.0,-9.54717,-9.06,-3.11,-8.23217711976102
CCCCN(C(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C12568376_decoy,HS90A,Decoy,0.0,-9.27482,-6.39,-3.07,-7.185900533158406
C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1,C22801837_decoy,HS90A,Decoy,0.0,-12.0445,-5.93,-1.73,-7.41609837596459
CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c(=O)[nH]c1=O,C24765673_decoy,HS90A,Decoy,0.0,-8.66959,-6.97,-3.9,-8.100181125665364
Cc1ccc(Oc2ncccc2C(=O)N2C[C@H](C(=O)NCC3CCC(C(=O)[O-])CC3)C3(CC[NH2+]CC3)C2)cc1,C39662804_decoy,HS90A,Decoy,0.0,-10.3756,-10.09,-2.91,-9.655744363622585
O=C([O-])C[C@H](NC(=O)[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2)c1ccccc1,C39682352_decoy,HS90A,Decoy,0.0,-8.36207,-6.61,-3.99,-7.308929649774925
O=C([O-])C[C@@H](NC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2)c1ccccc1,C39682549_decoy,HS90A,Decoy,0.0,-8.99393,-8.68,-2.46,-10.560214210359678
C[C@H](Sc1nnc([C@H](CO)NC(=O)c2ccccc2F)n1-c1ccccc1)C(=O)/N=C1/NCCS1,C39749902_decoy,HS90A,Decoy,0.0,-8.68291,-6.76,-2.97,-6.829227206022983
Cc1occc1C(=O)N/N=C/[C@@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O,C39775389_decoy,HS90A,Decoy,0.0,-11.3178,-5.86,-1.06,-6.527880437493218
COc1cccc([C@@H]2[NH2+][C@@H](C(=O)[O-])[C@H]3C(=O)N(Cc4ccc([N+](=O)[O-])o4)C(=O)[C@H]32)c1OCc1ccccc1,C33934988_decoy,HS90A,Decoy,0.0,-8.82766,-9.53,-0.92,-9.1450019097855
CCCOc1ccc([C@@H]2[NH2+][C@](Cc3ccc(O)cc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)cc1,C33869131_decoy,HS90A,Decoy,0.0,-10.0186,-6.05,-2.89,-7.336624474661956
NC(=O)NCCC[C@]1(C(=O)[O-])[NH2+][C@H](c2cc3ccccc3o2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21,C33910438_decoy,HS90A,Decoy,0.0,-7.2472,-7.2,-1.63,-6.215282225220895
CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@](C(=O)[O-])([C@@H](C)O)[NH2+][C@H]2c1ccc(OC)c2ccccc12,C43221872_decoy,HS90A,Decoy,0.0,-7.6003,-6.68,-2.75,-6.268233408814147
O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1,C49523821_decoy,HS90A,Decoy,0.0,-11.4071,-10.74,-1.04,-9.079507430917491
CC(C)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C,C51347650_decoy,HS90A,Decoy,0.0,-11.4524,-6.66,-2.9,-7.879365994472751
C=CCN1C(=O)/C(=C\Nc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2CN(C)CCN32)C(=O)NC1=S,C17014239_decoy,HS90A,Decoy,0.0,-9.50461,-6.59,-1.94,-6.190530633321281
COc1ccccc1NC(=O)N1CCC(CNC(=O)C(=O)Nc2cc3c4c(c2)[C@H](C)C(=O)N4CCC3)CC1,C49523792_decoy,HS90A,Decoy,0.0,-11.7498,-10.34,-2.48,-8.423487849322102
NC(=O)N1C(=O)[C@@H]2[C@H](c3ccccc3)c3sc(=O)n(CC(=O)Nc4ccc(F)cc4)c3S[C@@H]2C1=O,C39884082_decoy,HS90A,Decoy,0.0,-8.77887,-5.08,-1.77,-5.525556613594051
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@]1(Oc2c(cc4cc(C)oc(=O)c4c2O)C[C@@H]1O)[C@@H]3O,C05432443_decoy,HS90A,Decoy,0.0,-11.3194,-4.98,-3.25,-3.690858285743896
CN(C)c1ccc(C(=O)N2CCN(C(=O)NC3CCCCC3)C[C@H]2C(=O)N[C@H]2CCCNC2=O)cc1,C05397622_decoy,HS90A,Decoy,0.0,-7.86459,-6.34,-4.06,-6.241923801892194
CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1-c1ccccc1,C05956251_decoy,HS90A,Decoy,0.0,-5.51013,-4.92,-1.72,-4.265878993674821
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC,C01746960_decoy,HS90A,Decoy,0.0,-9.60607,-9.09,-2.85,-8.46270285679463
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1,C09949286_decoy,HS90A,Decoy,0.0,-10.1236,-8.88,-2.8,-7.634488513423769
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1,C10339269_decoy,HS90A,Decoy,0.0,-8.63418,-7.83,-2.06,-7.380054438001618
CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(CC(=O)NC(C)(C)C)c3ccccc32)C2=C1CC(C)(C)CC2=O,C12402257_decoy,HS90A,Decoy,0.0,-8.6653,-4.11,-1.98,-5.421548377150542
Cn1c(N)c(C(=O)COC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c(=O)n(C)c1=O,C12426955_decoy,HS90A,Decoy,0.0,-7.29599,-8.94,-5.07,-8.857524445874734
N/C(=N\O)N1CCC(CNC(=O)[C@H]2CC[C@@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)CC1,C12502533_decoy,HS90A,Decoy,0.0,-10.7152,-10.29,-3.27,-9.145978518451225
NC(=O)[C@@H]1CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c2ccccc2O1,C13095258_decoy,HS90A,Decoy,0.0,-9.20566,-9.79,-3.11,-11.839925153653173
COc1ccc(-c2c3c(n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,C01645939_decoy,HS90A,Decoy,0.0,-7.99197,-5.49,-2.74,-4.792138706761272
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccncc4)n3N)cc2)CC1,C20830610_decoy,HS90A,Decoy,0.0,-12.1692,-10.44,-1.74,-10.413504041285988
N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C[C@@H]1CCCO1,C13134692_decoy,HS90A,Decoy,0.0,-11.0236,-6.86,-3.71,-6.322657720226955
CC(C)CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C24833729_decoy,HS90A,Decoy,0.0,-8.23328,-7.78,-1.46,-7.510332275870311
C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CNC(=O)CNC1=O,C31168310_decoy,HS90A,Decoy,0.0,-7.07648,-5.56,-1.17,-3.8963334143369326
N#Cc1ccccc1[C@@H]1[NH2+][C@](Cc2c[nH]c3ccccc23)(C(=O)[O-])[C@@H]2C(=O)N(Cc3ccccn3)C(=O)[C@H]21,C34254329_decoy,HS90A,Decoy,0.0,-7.85264,-6.79,-1.59,-6.522467506470159
COc1ccccc1[C@H]1[NH2+][C@](Cc2c[nH]c3ccccc23)(C(=O)[O-])[C@@H]2C(=O)N(Cc3ccco3)C(=O)[C@@H]12,C34261841_decoy,HS90A,Decoy,0.0,-8.87957,-5.62,-1.4,-6.26702182648993
C#CCN1C(=O)[C@H]2[C@@H](c3ccc(C(=O)OC)cc3)[NH2+][C@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]2C1=O,C34377943_decoy,HS90A,Decoy,0.0,-9.57491,-4.64,-1.76,-6.074606782582981
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1OC2(CCCCC2)O[C@H]1[C@H](O)[C@@H]1COC2(CCCCC2)O1,C34704158_decoy,HS90A,Decoy,0.0,-9.92195,-7.42,-1.56,-9.297593170896535
O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1OC2(CCCCC2)O[C@H]1[C@H](O)[C@@H]1COC2(CCCCC2)O1,C34704159_decoy,HS90A,Decoy,0.0,-11.0176,-8.29,-1.19,-10.306717468081656
Cc1ccc(NC(=O)Cn2c(=O)n(CC(=O)N3CCCC3)c(=O)c3c(C)c(C(=O)NN)sc32)cc1,C34783079_decoy,HS90A,Decoy,0.0,-10.5175,-9.46,-1.82,-8.769175646713117
CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1,C38828265_decoy,HS90A,Decoy,0.0,-9.20367,-6.13,-2.26,-7.738496900481416
CC(=O)Oc1cccc(C(=O)N2C[C@H](C(=O)NC3CCC(C(=O)[O-])CC3)C3(CC[NH2+]CC3)C2)c1C,C39658060_decoy,HS90A,Decoy,0.0,-9.29916,-6.02,-2.0,-6.417659300854894
Cc1cc(C(=O)N2C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)C3(CC[NH2+]CC3)C2)n(C(C)(C)C)n1,C39682526_decoy,HS90A,Decoy,0.0,-9.12387,-4.88,-4.0,-6.301354275267085
O=C([O-])C[C@H](NC(=O)[C@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)CC12CC[NH2+]CC2)c1ccccc1,C39682536_decoy,HS90A,Decoy,0.0,-8.87353,-6.25,-3.01,-6.98481116298796
Cc1occc1C(=O)NNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccc(F)cc1)CCC2,C40826177_decoy,HS90A,Decoy,0.0,-11.2728,-9.46,-4.12,-8.777240098344393
O=C1[C@H]2[C@@H](c3cccc(OC(F)(F)F)c3)[NH2+][C@](CO)(C(=O)[O-])[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1,C33905642_decoy,HS90A,Decoy,0.0,-9.07506,-10.34,-0.67,-16.318785244918285
O=C1[C@H]2[C@@H](c3cc(Br)ccc3O)[NH2+][C@@](CO)(C(=O)[O-])[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1,C33919104_decoy,HS90A,Decoy,0.0,-8.26475,-6.2,-2.21,-5.932162886782443
C[C@H](O)[C@]1(C(=O)[O-])[NH2+][C@@H](c2cccc(C(F)(F)F)c2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21,C33933475_decoy,HS90A,Decoy,0.0,-7.01748,-6.44,-1.09,-5.2088179412685705
NC(=O)NCCC[C@]1(C(=O)[O-])[NH2+][C@H](c2cccc3ccccc23)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21,C33880638_decoy,HS90A,Decoy,0.0,-10.0877,-6.29,-2.52,-6.905627980603831
CC[C@H](C)[C@]1(C(=O)[O-])[NH2+][C@@H](c2cc(C)c(O)c(C)c2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21,C43221761_decoy,HS90A,Decoy,0.0,-7.77526,-6.04,-1.99,-5.832185559685195
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[C@@H]3CCC[NH+]3C)CS[C@@H]12)c1csc(N)n1,C44830397_decoy,HS90A,Decoy,0.0,-9.27982,-6.85,-4.33,-7.1392144367682615
COC(=O)[C@@]12[C@@H]3[C@H](OC(=O)[C@]3(C)C[C@@H]3[C@]1(C)[C@H](O)C=C1C(=CC(=O)OC1(C)C)[C@@]31CO1)O[C@]2(O)[C@H](C)O,C49181652_decoy,HS90A,Decoy,0.0,-8.44444,-4.56,-0.85,-5.305279440947535
CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H](CCC(N)=O)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)sc2c1CCC2,C13555666_decoy,HS90A,Decoy,0.0,-10.1764,-9.76,-1.93,-12.066925705900529
COc1ccc(CCN2C(=O)[C@@H]3[C@H]([C@H](C)O)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC,C20548499_decoy,HS90A,Decoy,0.0,-8.49153,-7.61,-3.4,-8.589894648120096
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NN1C(=O)c2cccc3c(NC(CO)(CO)CO)ccc(c23)C1=O,C16693826_decoy,HS90A,Decoy,0.0,-11.1488,-6.42,-2.2,-7.633814518569831
O=C(CN1C(=O)/C(=N/NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21)Nc1ccccc1,C13550286_decoy,HS90A,Decoy,0.0,-9.73743,-9.46,-3.43,-7.727116566143975
CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1,C17244517_decoy,HS90A,Decoy,0.0,-11.5662,-9.06,-3.35,-8.544931105193694
CC(C)N1C(=O)NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2CN(C)CCN32)C1=O,C35435264_decoy,HS90A,Decoy,0.0,-8.83929,-8.46,-3.47,-8.19379953036209
COC(=O)C1=C(N)n2c(s/c(=C/c3ccco3)c2=O)=C(C(=O)NCc2ccccc2)[C@H]1c1ccco1,C59294003_decoy,HS90A,Decoy,0.0,-10.2634,-8.95,-2.49,-13.440959003874363
Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)nnc1C1CC1,C59912757_decoy,HS90A,Decoy,0.0,-10.6738,-10.4,-3.79,-8.786805312347227
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1,C15795290_decoy,HS90A,Decoy,0.0,-10.0265,-8.9,-3.37,-9.08931735858264
N[C@H]1C(=O)NC(=O)N=C1C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br,C39949026_decoy,HS90A,Decoy,0.0,-8.4734,-7.04,-2.02,-8.539124598213526
CC(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-],C63375855_decoy,HS90A,Decoy,0.0,-7.83832,-6.38,-2.77,-6.94653538036324
CC(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-],C63375926_decoy,HS90A,Decoy,0.0,-8.29613,-5.69,-2.85,-6.188331588634303
CC(C)[C@H](NC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)C(=O)[O-],C63375928_decoy,HS90A,Decoy,0.0,-8.26148,-6.13,-2.18,-5.865580955514996
CN1NCc2c1ncn(CC(=O)N[C@H](c1ccccc1)c1ccc3[nH]c(C(F)(F)F)nc3c1)c2=O,C64202043_decoy,HS90A,Decoy,0.0,-7.33333,-10.24,-2.03,-9.845477917795902
CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1,C35379191_decoy,HS90A,Decoy,0.0,-10.4235,-11.16,-3.92,-10.391511172099436
Cc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2ccccc2)[C@H]2C(=O)N(C(N)=O)C(=O)[C@@H]2S3)cc1,C39884079_decoy,HS90A,Decoy,0.0,-9.07805,-10.83,-3.68,-10.682528299886904
C=CC[NH+]1CC[C@]23c4c5ccc(O[C@@H]6O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]6O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,C65747944_decoy,HS90A,Decoy,0.0,-7.50986,-5.4,-2.38,-5.329987727521798
CSCC[C@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2)C(=O)[O-],C08764558_decoy,HS90A,Decoy,0.0,-10.4416,-7.88,-0.73,-12.079197812164582
CC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])c5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@]21C,C08919137_decoy,HS90A,Decoy,0.0,-8.86855,-10.57,-4.16,-9.007372642046612
O=C(CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1)NCC(=O)Nc1ccc(F)c(F)c1F,C09955512_decoy,HS90A,Decoy,0.0,-8.63339,-10.27,-1.46,-10.55762307816044
O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O)Nc1ccccc1Cl,C10059757_decoy,HS90A,Decoy,0.0,-9.33942,-9.15,-5.22,-8.187985812977598
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1,C13247345_decoy,HS90A,Decoy,0.0,-8.37797,-8.97,-3.87,-7.922002550989484
CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3C(=O)[O-])CC2=O)cc1,C13260185_decoy,HS90A,Decoy,0.0,-9.44641,-9.15,-4.08,-11.429987404949795
C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1,C13263921_decoy,HS90A,Decoy,0.0,-7.32166,-6.52,-1.65,-5.550660194149949
C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1,C13264234_decoy,HS90A,Decoy,0.0,-7.8686,-7.7,-2.41,-6.51373111630527
C/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1,C13264396_decoy,HS90A,Decoy,0.0,-8.52074,-7.47,-2.04,-6.552920553597866
C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1,C13264437_decoy,HS90A,Decoy,0.0,-8.37119,-8.31,-4.77,-5.503777467876869
CCOc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCC[C@@H](C(=O)[O-])C4)cc3)c(C)c2c1,C13396043_decoy,HS90A,Decoy,0.0,-10.3246,-6.68,-3.1,-5.767469122911553
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1,C13398421_decoy,HS90A,Decoy,0.0,-10.7712,-6.51,-4.42,-7.307606817102807
Cn1ccnc1[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1CC(=O)[O-])c1ccc(F)cc1,C13404821_decoy,HS90A,Decoy,0.0,-7.94085,-9.77,-2.56,-11.164118668162724
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)N[C@H](Cc1ccccc1)C(=O)[O-],C13417113_decoy,HS90A,Decoy,0.0,-9.08685,-10.02,-3.43,-8.173724781793034
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1,C13640310_decoy,HS90A,Decoy,0.0,-8.44086,-7.4,-2.35,-7.216684816693858
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)[C@@H]2SC1,C13640314_decoy,HS90A,Decoy,0.0,-8.14766,-6.11,-2.83,-6.674548636539802
[H]/[S+]=c1\nc([O-])c(C2=[NH+]c3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)[CH-]2)c([O-])n1CCCC,C20899306_decoy,HS90A,Decoy,0.0,-8.32135,-6.43,-1.5,-6.937999972878783
C/C([O-])=N/S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)cc1,C21449457_decoy,HS90A,Decoy,0.0,-11.6411,-9.53,-2.85,-9.585397081649706
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1,C22487237_decoy,HS90A,Decoy,0.0,-10.8728,-7.34,-3.39,-7.582724798919053
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)CCn2nc([O-])c3ccccc3c2=O)cc1,C22980628_decoy,HS90A,Decoy,0.0,-8.7919,-7.58,-4.14,-9.1843627499931
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C3(c4ccccc4)CCCC3)cc2)n1,C30827709_decoy,HS90A,Decoy,0.0,-10.6675,-9.32,-2.17,-9.229766464699024
CCOc1cc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2Cc2ccco2)ccc1O,C33522353_decoy,HS90A,Decoy,0.0,-8.39307,-10.18,-1.64,-9.04242015199504
CC(=O)N[C@@H]1[C@H](Oc2ccccc2Cl)O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]1O[C@@H](C)C(=O)[O-],C35057080_decoy,HS90A,Decoy,0.0,-8.15581,-5.86,-2.79,-6.178284210849935
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(C)(C)C)cc2)O[C@H]2CO[C@@H](c3ccco3)O[C@@H]2[C@H]1O[C@@H](C)C(=O)[O-],C35057283_decoy,HS90A,Decoy,0.0,-7.84941,-5.01,-1.51,-5.44468485424915
CC(C)[C@@H]1NC(=O)[C@@H](C[C@]2(O)c3ccccc3N3C(=O)C(C)(C)[N-][C@H]32)n2c1nc1ccccc1c2=O,C15216255_decoy,HS90A,Decoy,0.0,-8.85382,-10.86,-1.71,-10.317619573464588
O=C1N=C2Oc3ccccc3[C@@H]([C@H]3C([O-])=NC(=O)N(c4ccccc4)[C@@H]3O)[C@@H]2C(=O)N1c1ccccc1,C38701883_decoy,HS90A,Decoy,0.0,-8.1888,-7.12,-3.13,-5.735495549046132
O=[P@]1([O-])NN2CCc3cc(Cc4ccccc4)c(S(=O)(=O)Oc4ccccc4)cc3[C@@H]2CO1,C39465201_decoy,HS90A,Decoy,0.0,-8.84913,-10.49,-2.23,-8.379064361978964
Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3C4)c2)c(=O)n(-c2ccccc2)n1C,C39679191_decoy,HS90A,Decoy,0.0,-8.49386,-7.21,-2.77,-6.71046667895733
C=CCN1C(=O)C2=C(c3ccco3)CSC2=N[C@H]1SCc1nc2oc(C)c(C(=O)[O-])c2c(=O)[nH]1,C39680110_decoy,HS90A,Decoy,0.0,-10.3979,-8.84,-2.89,-8.65897183749385
C=CCn1c(SCc2nc3c(c(=O)[nH]2)[C@H](C(=O)[O-])[C@H](C)O3)nnc1-c1ccc(Cl)cc1Cl,C39690084_decoy,HS90A,Decoy,0.0,-9.84438,-9.09,-3.03,-10.615530415804525
C[C@H]1Oc2nc(CSc3nnc(-c4ccc(F)cc4)n3Cc3ccccc3)[nH]c(=O)c2[C@H]1C(=O)[O-],C39692000_decoy,HS90A,Decoy,0.0,-8.05145,-5.49,-2.88,-5.417795674204161
C[C@H]1Oc2nc(CSc3nnc(-c4ccc(F)cc4)n3Cc3ccccc3)[nH]c(=O)c2[C@@H]1C(=O)[O-],C39692002_decoy,HS90A,Decoy,0.0,-8.66405,-5.68,-2.98,-5.810758066517461
Cc1c(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N,C39851588_decoy,HS90A,Decoy,0.0,-8.20088,-9.65,-1.83,-8.048338432749546
CCOC(=O)c1c(NC(=O)CSC2=NC(=O)C3=C(C)[C@@H](C(=O)[O-])SC3=N2)sc(C)c1C,C39927254_decoy,HS90A,Decoy,0.0,-8.99201,-7.64,-2.52,-9.378286030627082
Cc1c(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N,C40066672_decoy,HS90A,Decoy,0.0,-7.44324,-9.61,-2.62,-7.842451814865759
O=C(C1=C([O-])C(=O)N(CCO)[C@@H]1c1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1,C40111160_decoy,HS90A,Decoy,0.0,-10.5749,-6.26,-2.05,-7.117449361450211
O=C1c2n[nH]c(-c3cc(Cl)ccc3[O-])c2[C@H](c2cccc([N+](=O)[O-])c2)N1[C@@H]1CCS(=O)(=O)C1,C38702000_decoy,HS90A,Decoy,0.0,-10.0667,-8.93,-0.74,-10.101691246559744
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S,C40567617_decoy,HS90A,Decoy,0.0,-12.0581,-7.58,-1.01,-12.562021282661089
C#CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])N[C@H]2c1ccc(C(=O)OC)cc1,C43218331_decoy,HS90A,Decoy,0.0,-7.88866,-6.95,-4.1,-6.508257092585509
CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])N[C@H]2c1cccc2ccccc12,C33858599_decoy,HS90A,Decoy,0.0,-9.03204,-9.78,-3.32,-10.758395248955148
Cc1ccc(C)c([C@@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)[O-])[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1,C33860910_decoy,HS90A,Decoy,0.0,-10.2787,-7.05,-2.13,-7.346463167708707
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4cc5ccccc5o4)N[C@@](Cc4ccccc4)(C(=O)[O-])[C@@H]3C2=O)cc1,C43221277_decoy,HS90A,Decoy,0.0,-7.9768,-5.46,-1.16,-5.31339081041759
CCCCN1C(=O)[C@H]2[C@@H](c3cc4ccccc4o3)N[C@@](Cc3c[nH]c4ccccc34)(C(=O)[O-])[C@@H]2C1=O,C43221493_decoy,HS90A,Decoy,0.0,-8.47737,-5.97,-1.46,-5.815728110050893
CC(=O)[C@@H]1CC[C@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N5C[C@H](O)C[C@@H]5C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43736716_decoy,HS90A,Decoy,0.0,-8.41951,-6.1,-2.5,-7.079425494405662
CCn1c(SCc2nc3oc(C)c(C(=O)[O-])c3c(=O)[nH]2)nc2sc3c(c2c1=O)CC[C@H](C)C3,C13417325_decoy,HS90A,Decoy,0.0,-11.3014,-8.53,-1.55,-8.065721163523156
CCN(CC)S(=O)(=O)c1ccc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(C(=O)[O-])c1,C13091213_decoy,HS90A,Decoy,0.0,-9.20676,-7.94,-2.21,-8.454778636565637
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)C2=O,C54646940_decoy,HS90A,Decoy,0.0,-10.7044,-7.85,-3.97,-8.697733316729217
O=C(Cn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])c2ccccc21)Nc1ccc(F)cc1,C59336673_decoy,HS90A,Decoy,0.0,-9.41991,-11.81,-1.29,-11.339266740790766
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N[C@@H]2[C@H]1C(=O)N=C([O-])N2Cc1ccc(F)cc1,C39409796_decoy,HS90A,Decoy,0.0,-7.54128,-7.81,-2.62,-7.187026100057276
Cc1ccc(N2C(=O)N=C([O-])[C@@H]3[C@H]2NC(=O)[C@]3(c2c(C)nn(-c3ccccc3)c2O)C(F)(F)F)cc1C,C39964655_decoy,HS90A,Decoy,0.0,-7.44743,-8.58,-0.66,-6.789312521904663
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1,C00705817_decoy,HS90A,Decoy,0.0,-9.05502,-5.98,0.32,-5.215661597942659
CC1(C)CC(=O)C2=C(C1)O[C@]1(C[C@@H]2c2cccs2)CC(C)(C)NC(=O)N1,C04888869_decoy,HS90A,Decoy,0.0,-8.74612,-5.28,0.82,-4.346491948975214
Cc1ccc(C)c(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1,C05188424_decoy,HS90A,Decoy,0.0,-8.78633,-8.9,-1.96,-6.678582258863853
CC1(C)Cc2c(sc3nc(N/N=C/c4ccccc4)[nH]c(=O)c23)CS1,C05295775_decoy,HS90A,Decoy,0.0,-10.158,-7.9,-1.71,-7.179788399562603
Cc1ccccc1NC(=O)[C@H]1C(=O)N[C@]23CCCC[C@H]2[C@H]1c1ccccc1O3,C05752862_decoy,HS90A,Decoy,0.0,-6.51085,-6.16,-1.22,-4.931483387330026
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)SC(N)=N2,C06483932_decoy,HS90A,Decoy,0.0,-7.66166,-8.69,-0.16,-7.544254368675988
Cc1c(C(=O)NC2CCCCC2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3,C06751364_decoy,HS90A,Decoy,0.0,-9.95522,-9.06,-1.56,-7.391046417779152
NC(=O)[C@H]1Cc2ccccc2N1C(=O)C1c2ccccc2Oc2ccccc21,C09820334_decoy,HS90A,Decoy,0.0,-7.99047,-5.79,-0.55,-5.255863737975564
Cc1ccccc1NC(=O)[C@H]1C(=O)N[C@@]23CCCC[C@H]2[C@@H]1c1ccccc1O3,C12378385_decoy,HS90A,Decoy,0.0,-8.74836,-11.02,-1.78,-9.112715216339238
Cc1cccc(NC2=NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)c1C,C12645456_decoy,HS90A,Decoy,0.0,-10.978,-7.32,-1.53,-6.140996128118626
Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1,C14242821_decoy,HS90A,Decoy,0.0,-8.18528,-8.37,-1.04,-7.624584989462657
Cc1nn(C)c(NC(=O)Nc2ccccc2F)c1C1=CCCCC1,C15830752_decoy,HS90A,Decoy,0.0,-7.99275,-9.02,-1.86,-9.044176784637568
Cc1cccc(NC(=O)[C@@H]2C(=O)N[C@@]34CCCC[C@H]3[C@@H]2c2ccccc2O4)c1,C16040926_decoy,HS90A,Decoy,0.0,-7.62701,-6.21,-0.98,-5.569019179856215
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2OC(F)F)[C@H]2CCCC=C12,C19852435_decoy,HS90A,Decoy,0.0,-7.36726,-6.22,-0.35,-4.206602075025296
O=c1c(Oc2ccccc2)c(C(F)(F)F)oc2c(O)c(O)ccc12,C05731468_decoy,HS90A,Decoy,0.0,-7.3675,-9.19,-1.28,-7.737718464730462
Cc1cc(C)c2c(c1)N[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1CC=C[C@H]21,C14475759_decoy,HS90A,Decoy,0.0,-7.83062,-5.56,-0.46,-5.508517104408167
Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1c[nH]c3ccccc13)[C@H]1CC=C[C@@H]21,C20719890_decoy,HS90A,Decoy,0.0,-7.56526,-8.97,-1.42,-6.26533999165742
CNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1,C21722176_decoy,HS90A,Decoy,0.0,-7.04022,-5.16,0.0,-4.8225589067647805
Cc1c(C(=O)NNC(=O)c2ccc3c4c(cccc24)CC3)oc2ccccc12,C22279151_decoy,HS90A,Decoy,0.0,-6.92987,-10.44,-6.04,-7.83089178565528
Cc1cc(C)c2nc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)sc2c1,C23053342_decoy,HS90A,Decoy,0.0,-11.9567,-6.07,-2.93,-5.609002507178992
CNC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccccc3F)c2)C1,C33264495_decoy,HS90A,Decoy,0.0,-8.44111,-7.72,-3.34,-6.594178871003711
O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)C1CC1,C20150845_decoy,HS90A,Decoy,0.0,-7.65414,-7.1,-1.92,-6.840369887331484
CC(C)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)C[C@H]32)cc1,C04453377_decoy,HS90A,Decoy,0.0,-7.91931,-5.83,-0.54,-4.754302804842907
Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1,C06460424_decoy,HS90A,Decoy,0.0,-8.43954,-5.77,-2.04,-4.898009483947274
Cc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2,C38709379_decoy,HS90A,Decoy,0.0,-6.7492,-9.3,-3.82,-8.220498230129575
Cc1ccccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)C(C)C)CC2,C38710350_decoy,HS90A,Decoy,0.0,-7.89046,-6.78,-0.14,-4.973417184908165
CSc1ccc([C@H]2C(C#N)=C(N)OC3=NN=C(c4ccccc4)[C@@H]32)cc1,C06720031_decoy,HS90A,Decoy,0.0,-8.39662,-8.54,0.41,-8.199610972690486
O=C1N=C2NC(c3ccccc3)=C[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1,C39141014_decoy,HS90A,Decoy,0.0,-9.48312,-6.42,-0.8,-5.331677559578184
CC(C)(C)NNC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C,C33752296_decoy,HS90A,Decoy,0.0,-7.57288,-6.21,-0.87,-6.256486660351468
O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN1C(=O)Nc1ccccc1,C40011552_decoy,HS90A,Decoy,0.0,-8.57119,-5.33,-1.38,-5.853519156311464
Cc1c(C(=O)Nc2nc3c(s2)CCCC3)[nH]c2c1C(=O)CC(C)(C)C2,C30767170_decoy,HS90A,Decoy,0.0,-10.1804,-7.03,-4.86,-5.898171685980029
O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Nc1ccccc1Cl,C41104813_decoy,HS90A,Decoy,0.0,-8.91005,-6.77,-2.35,-6.105250667821947
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(C(=O)NC2CC2)C1,C44458463_decoy,HS90A,Decoy,0.0,-9.19291,-9.39,-1.02,-9.433318908419905
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)NC2CC2)C1,C44458464_decoy,HS90A,Decoy,0.0,-8.5127,-5.35,-1.05,-5.381481065440992
Cc1cc(C)c2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4)sc2c1,C45629876_decoy,HS90A,Decoy,0.0,-10.1311,-5.82,-0.75,-4.927898972622992
Cc1nn2c(c1-c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NC2=O,C01050133_decoy,HS90A,Decoy,0.0,-6.28338,-5.39,-0.55,-4.989665286276778
O=C1CCc2cc(C3=NN/C(=N\c4ccc(Cl)cc4)SC3)ccc2N1,C54359305_decoy,HS90A,Decoy,0.0,-9.74636,-9.6,-2.15,-5.716625653795827
O=C(NC1CCCCC1)NC1CCN(C(=O)C=C2CCCCC2)CC1,C56247827_decoy,HS90A,Decoy,0.0,-9.61188,-6.34,-1.96,-5.62106139287428
O=C(c1cc2ccccc2c(=O)[nH]1)N1CCc2[nH]c3ccc(Cl)cc3c2C1,C58491039_decoy,HS90A,Decoy,0.0,-8.71907,-6.53,-2.51,-5.545709627551767
Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2,C59416594_decoy,HS90A,Decoy,0.0,-9.96634,-5.63,-0.62,-5.100555287326023
O=C(N=c1[nH]c2ccccc2[nH]1)c1cccnc1SC1CCCC1,C54799581_decoy,HS90A,Decoy,0.0,-7.57095,-8.93,-0.26,-8.561344846786566
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)c(F)c3F)[nH]c2c1,C61734342_decoy,HS90A,Decoy,0.0,-7.46455,-9.73,-1.75,-7.735476701763434
Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3cc(F)cc(F)c3)[nH]c2c1,C61748555_decoy,HS90A,Decoy,0.0,-7.64111,-9.96,-0.94,-8.767785255022536
Cc1cccc(/N=C2/NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)c1C,C00968836_decoy,HS90A,Decoy,0.0,,,,
Cc1cccc(/N=C2\NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)c1C,C00968836_decoy,HS90A,Decoy,0.0,,,,
N#CC1=C(N)OC2=NN=C(c3ccc(Cl)cc3)[C@@H]2[C@@H]1c1ccc(F)cc1,C01068827_decoy,HS90A,Decoy,0.0,-8.02888,-7.37,0.35,-7.29494257019729
Cc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1,C06923596_decoy,HS90A,Decoy,0.0,-9.83818,-5.44,0.18,-5.353014668173142
N#C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(Cl)c1Cl,C66393018_decoy,HS90A,Decoy,0.0,-8.78257,-9.16,-1.29,-12.438914439116129
CC(=O)Nc1cc(NC(=O)N2CCC[C@@H]2C2CCCCC2)c(F)cc1F,C66982142_decoy,HS90A,Decoy,0.0,-6.75734,-5.57,-1.38,-4.984582681154854
O=C1CSc2ccc(NC(=O)N3CCC[C@@H](c4ccccc4)CC3)cc2N1,C67255754_decoy,HS90A,Decoy,0.0,-7.04396,-5.47,-1.05,-4.407786953499967
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2,C06142262_decoy,HS90A,Decoy,0.0,-11.9718,-6.37,-2.4,-6.791186671470832
O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2c1,C09670553_decoy,HS90A,Decoy,0.0,-9.59595,-10.09,-3.01,-8.834166194221913
COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1,C09706106_decoy,HS90A,Decoy,0.0,-9.61434,-9.33,-3.1,-8.6384540427937
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1,C10012178_decoy,HS90A,Decoy,0.0,-10.2817,-10.88,-4.0,-10.850213642199147
COc1ccc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1S(N)(=O)=O,C11041282_decoy,HS90A,Decoy,0.0,-9.62663,-8.8,-2.73,-8.888266249887842
CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C/c2cccc(Cl)c2Cl)c(=O)[nH]c1=O,C14652774_decoy,HS90A,Decoy,0.0,-9.96035,-6.8,-3.22,-7.604657563161326
CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C/c2c(Cl)cccc2Cl)c(=O)[nH]c1=O,C14652953_decoy,HS90A,Decoy,0.0,-8.80523,-5.8,-2.37,-6.240038054695234
CCCC(=O)Oc1ccc([C@@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc1OC,C15320116_decoy,HS90A,Decoy,0.0,-9.88189,-6.75,-2.18,-6.562327305799384
CCCC(=O)Oc1ccc([C@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc1OC,C15320119_decoy,HS90A,Decoy,0.0,-8.85584,-11.13,-1.42,-9.306330345764742
CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2coc3ccc4ccccc4c23)c(=O)[nH]c1=O,C15323891_decoy,HS90A,Decoy,0.0,-9.10635,-10.39,-4.05,-12.280135390071832
CCN1C(=S)N[C@H](c2cccc(NC(=O)Nc3ccc(C#N)cc3)c2)C(C(=O)OC)=C1C,C16611202_decoy,HS90A,Decoy,0.0,-10.7073,-7.45,-3.34,-8.129561443231013
COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)Nc2ccc(C)cc2C)c1,C16612380_decoy,HS90A,Decoy,0.0,-10.0657,-7.43,-2.83,-9.01178932979734
C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C16716195_decoy,HS90A,Decoy,0.0,-11.664,-5.76,-1.41,-6.974700190606935
COC(=O)c1ccc(N(C)CC2=Nc3c(nc(N)nc3SCc3ccccc3)NC2)cc1,C16979205_decoy,HS90A,Decoy,0.0,-10.2259,-8.98,-1.61,-8.546353858774914
CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12,C17139146_decoy,HS90A,Decoy,0.0,-9.34208,-7.32,-3.42,-7.340802924804064
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1C,C18103487_decoy,HS90A,Decoy,0.0,-6.37772,-10.32,-4.94,-8.003568404097775
CNS(=O)(=O)c1cc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)ccc1C,C19313121_decoy,HS90A,Decoy,0.0,-10.2812,-8.86,-4.11,-7.137489254801136
COc1ccc(Br)cc1/C=N/Nc1nc(SCc2nc3ccc(C)cc3[nH]2)n[nH]1,C21080648_decoy,HS90A,Decoy,0.0,-10.7937,-9.8,-2.28,-8.836567083842112
C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)C(C#N)=C1Nc2ccccc2N1,C24270782_decoy,HS90A,Decoy,0.0,-8.38187,-10.26,-2.36,-7.785357686655363
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc3c2O[C@@H](C)[C@H]3C)c(=O)[nH]c1=O,C24351272_decoy,HS90A,Decoy,0.0,-8.6495,-5.3,-1.12,-6.657068155182759
Cc1ccc2nc(COc3ccc(C(=O)Nc4cc(C(N)=O)ccc4N4CCCCC4)cc3)cn2c1,C25612187_decoy,HS90A,Decoy,0.0,-9.8631,-10.49,-1.35,-8.54392966376755
CCc1cccc(NC(=O)COC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3)cc2)c1,C32986897_decoy,HS90A,Decoy,0.0,-10.4964,-5.78,-1.59,-5.522240107343483
NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cccc([N+](=O)[O-])c1,C33523068_decoy,HS90A,Decoy,0.0,-7.36025,-6.53,-0.15,-7.052790219331229
Nn1c(COc2ccccc2F)nnc1SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C22435878_decoy,HS90A,Decoy,0.0,-12.4751,-8.36,-4.14,-9.103907791349032
Cc1c(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)oc2c(Cl)cccc12,C36799715_decoy,HS90A,Decoy,0.0,-8.12035,-7.01,-2.06,-7.6524597267149375
C=CCn1c(SCc2nc(N)nc(Nc3ccccc3CC)n2)nc2sccc2c1=O,C36806251_decoy,HS90A,Decoy,0.0,-9.44639,-10.25,-3.1,-9.788988894742452
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O,C36828080_decoy,HS90A,Decoy,0.0,-9.28748,-7.71,-0.89,-8.067881102543915
O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,C04210508_decoy,HS90A,Decoy,0.0,-12.2575,-8.81,-0.13,-9.525256353548018
O=C(NC[C@H]1CCCO1)c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1,C39300645_decoy,HS90A,Decoy,0.0,-11.3071,-10.9,-0.11,-8.603463615118342
COC(=O)c1ccc(/C=C2\CNCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1,C39326858_decoy,HS90A,Decoy,0.0,-10.6956,-5.32,-3.18,-5.869725659869603
CCOc1ccc(N2C(SCc3ccccc3C)=NN[C@H]2Cc2cc(=O)[nH]c(=O)[nH]2)cc1,C39362600_decoy,HS90A,Decoy,0.0,-9.37801,-7.65,-1.7,-7.604170221949646
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(N(CC#N)CC#N)c1N,C40688670_decoy,HS90A,Decoy,0.0,-9.1675,-6.97,-2.64,-7.339839046629708
CCCSc1nc2n(n1)[C@H](c1cccc(O)c1)C(C(=O)Nc1ccccc1OCC)=C(C)N2,C41019584_decoy,HS90A,Decoy,0.0,-9.57956,-7.05,-2.22,-8.350848119665919
O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(NC(=O)NCc2ccco2)cc1,C45873207_decoy,HS90A,Decoy,0.0,-10.3698,-10.94,-3.36,-8.554068526324805
C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1cccc(NC(=O)c2ccccc2)c1,C46777095_decoy,HS90A,Decoy,0.0,-9.45975,-10.33,-4.6,-10.922509126560442
CSc1nn(CC(=O)Nc2ccc(C)cc2C)c(N)c1-c1nc(-c2cccc(C)c2)no1,C46914632_decoy,HS90A,Decoy,0.0,-9.02982,-8.21,-3.57,-7.794108740946414
CSc1nn(CC(=O)Nc2ccc(Cl)cc2F)c(N)c1-c1nc(-c2cccc(C)c2)no1,C46915242_decoy,HS90A,Decoy,0.0,-11.0555,-8.69,-2.33,-8.295573053649612
O=C(NCc1ccco1)Nc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cc1,C46918236_decoy,HS90A,Decoy,0.0,-10.5848,-10.56,-2.89,-8.924330529730218
Cc1ccc(C(C)C)c(OCc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2N)c1,C23328428_decoy,HS90A,Decoy,0.0,-9.00879,-10.46,-1.08,-9.41091728220421
O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,C21209358_decoy,HS90A,Decoy,0.0,-10.313,-9.82,-2.4,-9.750601185940791
CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](C)c1cccc(NC(=O)c3ccccc3)c1)C2=O,C58821099_decoy,HS90A,Decoy,0.0,-9.33558,-9.88,-2.92,-9.08895772787174
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1,C58881320_decoy,HS90A,Decoy,0.0,-11.4028,-10.29,-1.52,-8.200701311331386
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1)Nc1ccc(F)cc1,C58882000_decoy,HS90A,Decoy,0.0,-10.9594,-8.16,-4.11,-6.622716081616801
COc1cccc(OC)c1C(=O)NC(=S)NC1=CC(=O)/C(=C2\Nc3ccc(C)cc3O2)C=C1,C22572231_decoy,HS90A,Decoy,0.0,-7.43625,-7.08,-2.64,-6.120330251267924
C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)cc1OCC,C04470949_decoy,HS90A,Decoy,0.0,-11.5876,-8.81,-0.93,-9.1568241536201
CCOc1cccc([C@@H]2NO[C@H](c3ccc4c(=O)n(CCCc5ccccc5)c(=O)[nH]c4c3)N2)c1,C64870856_decoy,HS90A,Decoy,0.0,-9.72638,-5.83,-2.95,-6.1338012798244
CCOc1ccccc1[C@H]1NO[C@H](c2ccc3c(=O)n(Cc4cccc(Cl)c4)c(=O)[nH]c3c2)N1,C64871076_decoy,HS90A,Decoy,0.0,-8.47849,-10.71,-2.14,-7.2975772462563215
CCOc1cccc([C@H]2NO[C@@H](c3ccc4c(=O)n(Cc5cccc(Cl)c5)c(=O)[nH]c4c3)N2)c1,C64871126_decoy,HS90A,Decoy,0.0,-9.03587,-8.58,-3.45,-8.577578754565636
CCOc1ccccc1[C@H]1NO[C@H](c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=O)[nH]c3c2)N1,C64871180_decoy,HS90A,Decoy,0.0,-9.90777,-10.91,-1.78,-8.66943018998195
Cc1cc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1,C66198529_decoy,HS90A,Decoy,0.0,-10.7231,-9.67,-3.18,-8.280327070007536
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1,C00634870_decoy,HS90A,Decoy,0.0,-8.69174,-9.37,-0.74,-9.667910511576604
Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1,C04888455_decoy,HS90A,Decoy,0.0,-8.86895,-5.21,-5.07,-4.314006204166374
CC[C@@H](C)NC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1,C00911906_decoy,HS90A,Decoy,0.0,-10.4283,-10.09,-2.19,-10.112533582958156
O=C1N=c2ccccc2=C1c1sc(Nc2ccc(F)cc2)nc1O,C05731574_decoy,HS90A,Decoy,0.0,-8.87629,-8.11,-0.57,-6.708779182545724
O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccc(F)cc1,C06338240_decoy,HS90A,Decoy,0.0,-8.21886,-9.37,-2.84,-7.356270919358781
O=C(Nc1cccc(Cl)c1)ONC(=O)C12CC3CC(CC(C3)C1)C2,C06550656_decoy,HS90A,Decoy,0.0,-8.59882,-5.77,-3.21,-5.589154210960166
C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(C#N)c1,C07003043_decoy,HS90A,Decoy,0.0,-8.69206,-7.18,-1.9,-6.389434610047306
O=C(Nc1ccccc1)Nc1nnc(SCc2cccc(F)c2)s1,C09324233_decoy,HS90A,Decoy,0.0,-10.3642,-7.08,-0.63,-6.082826830427436
Cc1cc(C)c(-c2csc(NC(=O)CNC(=O)C(C)(C)C)n2)cc1C,C08939349_decoy,HS90A,Decoy,0.0,-8.65479,-6.34,-1.19,-6.28557664310006
CC(=O)c1c2[nH]c3ccccc3nc-2cc(Nc2ccccc2)c1=O,C05498779_decoy,HS90A,Decoy,0.0,-8.29171,-9.48,-0.03,-7.795845466996272
O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1ccc2ccccc2c1,C17073917_decoy,HS90A,Decoy,0.0,-6.30739,-7.42,-2.19,-4.752213290669381
Cc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3C)c2C)c1,C20540346_decoy,HS90A,Decoy,0.0,-9.29208,-9.44,-1.68,-8.652230016921065
O=C(Cc1cn2ccsc2n1)Nc1ccc(Nc2ccccc2)cc1,C21007036_decoy,HS90A,Decoy,0.0,-9.80952,-9.42,-2.27,-9.481661815890623
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1Cc2ccccc2C1,C22077808_decoy,HS90A,Decoy,0.0,-8.36125,-11.33,-1.79,-12.134785048026943
Cc1ccc(F)cc1NC(=O)[C@H](C)Nc1ccc2oc(C3CC3)nc2c1,C27042740_decoy,HS90A,Decoy,0.0,-9.28693,-9.13,-0.73,-8.433136553878645
Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)cc2c1C,C09552016_decoy,HS90A,Decoy,0.0,-8.74491,-10.08,-1.67,-12.981421013781413
CCC(=O)Nc1nc2ccc(NC(=O)CC3CCCCC3)cc2s1,C32961185_decoy,HS90A,Decoy,0.0,-9.50581,-9.62,-3.6,-7.386960321417766
Cc1cccc(NC(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)c1,C33312707_decoy,HS90A,Decoy,0.0,-7.76891,-11.45,-0.59,-8.631733699783148
COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2cccc(C)c2O)C1=O,C36257375_decoy,HS90A,Decoy,0.0,-9.81647,-8.25,-0.79,-8.309389185716551
CC[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc(O)cc1,C37140015_decoy,HS90A,Decoy,0.0,-7.02434,-7.91,-1.0,-7.522544065663647
Cc1nc(Nc2cccc3ncccc23)[nH]c(=O)c1Cc1ccccc1,C25497410_decoy,HS90A,Decoy,0.0,-8.40495,-9.65,-2.6,-10.6991001750865
Cc1ccccc1Nc1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1,C04910812_decoy,HS90A,Decoy,0.0,-8.76521,-5.7,-0.5,-5.499697396431712
C=CCc1cccc(/C=[NH+]/Nc2ncnc3sc4c(c23)CCCC4)c1[O-],C04737888_decoy,HS90A,Decoy,0.0,-10.0566,-5.37,-0.1,-6.760358564463419
CCC(CC)NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2,C38699914_decoy,HS90A,Decoy,0.0,-8.73736,-5.46,-2.55,-5.813869550299577
COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(C(C)C)cc1,C39327982_decoy,HS90A,Decoy,0.0,-9.24051,-8.92,0.25,-20.503006588591376
C[C@H]1N=c2ccc(NC(=S)NC(=O)c3cccc4ccccc34)cc2=N1,C39434212_decoy,HS90A,Decoy,0.0,-7.91678,-11.36,-2.19,-6.717242808828424
Cc1cc(C)c2cc(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)[nH]c2c1,C39536121_decoy,HS90A,Decoy,0.0,-6.5901,-7.78,-1.03,-7.978826893012414
Cc1c(O)ccc(C2=NN=C(C(F)(F)F)[C@H]2Oc2ccccc2)c1O,C39578003_decoy,HS90A,Decoy,0.0,-8.18735,-9.54,0.04,-9.160021868379031
CCCCc1ccc(NC(=O)[C@@]2(C)Oc3ccc(C)cc3NC2=O)cc1,C41548330_decoy,HS90A,Decoy,0.0,-9.37589,-9.03,-1.19,-7.437858341151231
Cc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1Cl,C44023434_decoy,HS90A,Decoy,0.0,-8.62091,-9.25,-0.83,-7.1912653192415625
Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)c1,C47409786_decoy,HS90A,Decoy,0.0,-8.83308,-9.29,-2.58,-7.686271874163784
CCc1ccc(/C(C)=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1,C33906372_decoy,HS90A,Decoy,0.0,-8.03116,-8.6,-0.58,-7.238915423200676
CC(C)c1cccc(NC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c1,C54006368_decoy,HS90A,Decoy,0.0,-8.12224,-6.76,-1.94,-6.696636357531769
O=C(NCCCc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1,C09679768_decoy,HS90A,Decoy,0.0,-8.64421,-8.29,-0.83,-6.614034651854122
CCOc1ccc(NC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1F,C56702081_decoy,HS90A,Decoy,0.0,-9.89417,-5.51,-0.92,-5.3802768902037466
CC(C)[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C)c1ccccc1,C29197785_decoy,HS90A,Decoy,0.0,-6.64051,-8.17,-0.26,-7.222337204377311
CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1,C52818665_decoy,HS90A,Decoy,0.0,-8.77096,-6.83,-2.01,-6.962244025464553
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1C,C05419249_decoy,HS90A,Decoy,0.0,-8.06276,-7.31,-1.31,-6.5120719972568
CC[NH+](CC)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1,C14461574_decoy,HS90A,Decoy,0.0,-8.34608,-5.42,-1.03,-5.395367099168116
NC(=O)C[C@H]1CCCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1,C60292119_decoy,HS90A,Decoy,0.0,-8.72335,-8.34,-1.5,-8.172669876195766
Cc1cc(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)no1,C60374489_decoy,HS90A,Decoy,0.0,-6.88897,-6.55,-2.59,-6.01184106976263
Cc1cc(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)no1,C60374490_decoy,HS90A,Decoy,0.0,-5.95599,-7.9,-0.84,-4.954599023590979
CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1,C61772296_decoy,HS90A,Decoy,0.0,-8.22814,-8.58,-2.95,-6.86760103685818
Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/O)c1,C15988021_decoy,HS90A,Decoy,0.0,-8.85462,-9.76,-0.48,-9.37390757272374
Cc1ccc(SCC2=C3[C@@H](C(C)C)C(C#N)=C(N)O[C@H]3N=N2)cc1,C39977295_decoy,HS90A,Decoy,0.0,-7.43565,-8.26,-0.32,-6.564665884621523
CC[C@H](C)NC(=O)c1nc(Nc2ccc(F)cc2)c2ccccc2n1,C35430105_decoy,HS90A,Decoy,0.0,-9.3106,-9.62,-1.26,-8.377143003030557
Cc1ccccc1NC(=O)Nc1c(-c2ccccc2)nc2ccccn12,C64611146_decoy,HS90A,Decoy,0.0,-7.72887,-9.2,-0.6,-8.971854542757525
C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)NC2CCCCC2)C1,C65059200_decoy,HS90A,Decoy,0.0,-8.06589,-10.25,-1.95,-10.340201306015846
Cc1ccc(SCC2=NN=C3OC(N)=C(C#N)[C@@H](C(C)C)[C@H]23)cc1,C04167677_decoy,HS90A,Decoy,0.0,-7.51533,-9.16,-0.11,-10.082533377408431
COc1cc(C)ccc1NC(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1,C66345212_decoy,HS90A,Decoy,0.0,-8.42351,-9.63,-0.63,-8.611609593895745
COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1,C04302782_decoy,HS90A,Decoy,0.0,-10.145,-10.32,-3.59,-10.863643222705091
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2)cc1,C03372815_decoy,HS90A,Decoy,0.0,-9.88781,-10.05,-1.32,-12.76791665161363
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1,C04282966_decoy,HS90A,Decoy,0.0,-9.72419,-9.7,-1.33,-9.925294476895768
Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2c[nH]c3ccccc23)c2ccccc2)c([N+](=O)[O-])c1,C08649499_decoy,HS90A,Decoy,0.0,-6.50043,-8.16,-3.72,-7.384621259785717
CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccc(C(C)(C)C)cc3)OC2=O)cc1OCC,C08868608_decoy,HS90A,Decoy,0.0,-10.0237,-9.1,-3.6,-7.816855205376986
Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3ccc(C)o3)c([N+](=O)[O-])c2)c(C)c1,C08746731_decoy,HS90A,Decoy,0.0,-8.00928,-9.81,-3.3,-9.497022259891471
O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12,C09414286_decoy,HS90A,Decoy,0.0,-9.53432,-6.43,-2.15,-6.320291834954239
CCOC(=O)C1=C(CSc2nncn2-c2ccc(C)cc2C)NC(=O)N[C@H]1c1ccccc1,C10558151_decoy,HS90A,Decoy,0.0,-8.02439,-8.33,-1.27,-7.832607401626636
C=CCNc1nnc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)s1,C11392881_decoy,HS90A,Decoy,0.0,-9.13054,-8.07,-2.37,-9.21326154603652
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccc(C(C)C)cc2)[nH]c(=O)c1C,C11854960_decoy,HS90A,Decoy,0.0,-10.7452,-10.22,-1.49,-12.067758347649203
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(OC(C)C)cc2)[nH]c1=O,C11855074_decoy,HS90A,Decoy,0.0,-9.92819,-10.14,-4.54,-11.120595128132187
CC(C)c1ccc(OCC(=O)Nc2cc(C3CC3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1,C12130553_decoy,HS90A,Decoy,0.0,-10.8552,-10.57,-0.94,-10.674727172380274
C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C,C12653891_decoy,HS90A,Decoy,0.0,-7.38045,-9.35,-1.09,-7.643307397860735
CCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1,C12796194_decoy,HS90A,Decoy,0.0,-8.43083,-9.52,-1.5,-8.471062325643507
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1,C13631154_decoy,HS90A,Decoy,0.0,-10.2657,-7.46,-4.48,-8.146540652636961
O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1c[nH]c2ccccc12,C17117699_decoy,HS90A,Decoy,0.0,-9.52094,-10.43,-1.27,-11.284977211777504
CC(C)(C)c1cc(NC(=O)CSc2nnc(NCc3ccco3)s2)n(-c2ccccc2)n1,C17983177_decoy,HS90A,Decoy,0.0,-11.3354,-9.57,-0.34,-9.89539432032141
CCOC(=O)c1c(C)[nH]c(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)c1C,C19321224_decoy,HS90A,Decoy,0.0,-9.74967,-8.68,-3.2,-7.069427685259073
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1,C12371481_decoy,HS90A,Decoy,0.0,-10.4364,-8.37,-2.0,-6.83782136916211
CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)NC(=O)NC1,C21197436_decoy,HS90A,Decoy,0.0,-9.69537,-9.24,-1.18,-8.99786178192192
CCOC(=O)C1=C(CSc2nc3cc(Cl)ccc3c(=O)n2CCC(C)C)NC(=O)NC1,C21313917_decoy,HS90A,Decoy,0.0,-9.79062,-9.06,-1.09,-16.958389402707176
CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1,C21471551_decoy,HS90A,Decoy,0.0,-10.1909,-8.9,-2.8,-9.47691774823485
CC(C)(C)c1ccc(OCc2nnc(SCN3C(=O)c4ccccc4C3=O)n2N)cc1,C22435874_decoy,HS90A,Decoy,0.0,-8.85047,-9.87,-1.24,-8.060024574756113
C=CCn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1ccc(C(C)(C)C)cc1,C24985290_decoy,HS90A,Decoy,0.0,-8.11896,-5.75,-1.26,-5.401351534762659
CCCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1,C27496097_decoy,HS90A,Decoy,0.0,-8.61729,-7.04,-3.62,-7.834927846103136
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1,C28914465_decoy,HS90A,Decoy,0.0,-8.69604,-5.68,-2.2,-6.063018560383164
Cc1ccc(OC[C@H]2O[C@@H](n3cnc4c(NO)ccnc43)C[C@H]2Oc2ccc(C)cc2)cc1,C34633652_decoy,HS90A,Decoy,0.0,-8.82016,-8.99,-1.85,-8.810509130272202
CCOc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1,C35429634_decoy,HS90A,Decoy,0.0,-9.87845,-9.38,-1.4,-8.30588903836855
Cc1ccc(NC(=O)[C@H](OC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c2ccccc2)c([N+](=O)[O-])c1,C18323868_decoy,HS90A,Decoy,0.0,-9.65736,-10.4,-2.26,-10.347448576991193
CCN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)NC3CCCCC3)CC2)n1,C35564549_decoy,HS90A,Decoy,0.0,-9.86878,-6.59,-1.4,-6.992386851664992
COCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(=O)NC(C)(C)C,C36045080_decoy,HS90A,Decoy,0.0,-8.12893,-5.56,-2.33,-6.2815355915219255
CCOC(=O)C1=C(CSc2nnc(-c3ccccc3C)n2C)NC(=O)N[C@H]1c1ccccc1,C36627277_decoy,HS90A,Decoy,0.0,-8.87142,-8.05,-1.71,-10.676567293062142
CCOC(=O)Cn1/c(=N/C(=O)CCC2CCCCC2)sc2cc(S(N)(=O)=O)ccc21,C38930475_decoy,HS90A,Decoy,0.0,-10.8192,-8.37,-2.04,-8.923453836670474
CC(C)c1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1,C21868863_decoy,HS90A,Decoy,0.0,-8.92769,-10.46,-1.13,-10.423259076052547
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1,C39484432_decoy,HS90A,Decoy,0.0,-10.0417,-9.2,-1.06,-10.157833778747776
Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C(C)C)cc1,C39640940_decoy,HS90A,Decoy,0.0,-10.2068,-9.07,-1.88,-9.103013084216794
O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1Nc1ncc(C(F)(F)F)cc1Cl,C40661421_decoy,HS90A,Decoy,0.0,-8.12018,-9.46,-2.47,-8.333150335821525
CCCOc1ccc(/C=N\NC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC,C40844755_decoy,HS90A,Decoy,0.0,-9.33552,-9.45,-0.86,-9.584042382293273
CCOC(=O)c1sc(NC(=O)N/N=C\c2ccc(Cl)cc2)c(C(=O)OCC)c1C,C40846170_decoy,HS90A,Decoy,0.0,-9.40676,-7.38,-2.21,-7.816907453118823
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(OCCc3ccccc3)cc2)n2nnnc2N1,C40922152_decoy,HS90A,Decoy,0.0,-9.10383,-9.11,-2.17,-8.693220857612873
CCCCOc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c1,C40922564_decoy,HS90A,Decoy,0.0,-10.7265,-8.74,-0.03,-10.028910073526136
CCN(C(=O)Cn1nc(SC)c(-c2nc(-c3ccc(C)cc3)no2)c1N)c1cccc(C)c1,C46915135_decoy,HS90A,Decoy,0.0,-11.0691,-8.82,-3.37,-8.93509857810516
CCOc1cc(/C=N\N=C2\S/C(=C\c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O,C47137657_decoy,HS90A,Decoy,0.0,-10.2516,-9.53,-0.59,-9.137251555981733
C=C(NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc([N+](=O)[O-])cc1,C03338600_decoy,HS90A,Decoy,0.0,-9.24635,-11.57,-1.08,-8.023574963473656
CCOc1cc(C(=O)N/N=C2/C(=O)Nc3ccc(C(C)C)cc32)cc(OCC)c1OCC,C03274956_decoy,HS90A,Decoy,0.0,-9.53368,-8.29,-2.17,-9.892114952500838
Cc1ccc2nc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc3ccccc3)sc2c1,C58916293_decoy,HS90A,Decoy,0.0,-8.63892,-8.83,-2.58,-8.283545007593379
CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)Nc2nccs2)cc1,C59167988_decoy,HS90A,Decoy,0.0,-8.62861,-6.83,-3.56,-5.4737713308282405
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1,C59777931_decoy,HS90A,Decoy,0.0,-9.03791,-11.13,-3.32,-9.953898547900014
O=C(CCSc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)NC(c1ccccc1)c1ccccc1,C59793058_decoy,HS90A,Decoy,0.0,-9.70454,-6.38,-3.28,-6.678578924897455
CC[NH+](CC)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-n4nc(C)cc4C)nn3)C2)c(C)c1,C62164263_decoy,HS90A,Decoy,0.0,-9.89194,-5.49,-3.21,-5.745221806057168
C=CCNC(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1,C05005411_decoy,HS90A,Decoy,0.0,-9.20141,-9.64,-1.74,-8.90243447583758
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(OCC)c(OCC)c1,C06601894_decoy,HS90A,Decoy,0.0,-9.41273,-8.05,-0.42,-9.399262592936106
CC(C)(C)NC(=O)NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,C01040673_decoy,HS90A,Decoy,0.0,-6.74321,-5.71,-2.72,-5.406586729466291
CCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1,C08645422_decoy,HS90A,Decoy,0.0,-7.02993,-10.81,-2.78,-7.879020364771392
COc1ccccc1NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2,C01188820_decoy,HS90A,Decoy,0.0,-7.9037,-9.04,-3.38,-8.173635393961163
Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC(C)C)cc1,C08927644_decoy,HS90A,Decoy,0.0,-9.55193,-8.84,-2.78,-9.610566393647671
CCOC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)cc1,C08948341_decoy,HS90A,Decoy,0.0,-8.28197,-7.39,-3.89,-6.582774350964008
Cc1c(C(=O)NNC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)oc2ccccc12,C10372734_decoy,HS90A,Decoy,0.0,-9.71508,-6.43,-2.23,-5.72371208069668
Cc1ccc(Cn2c(NCCc3c[nH]c4ccccc34)nc3c2c(=O)n(C)c(=O)n3C)cc1,C08774918_decoy,HS90A,Decoy,0.0,-9.17426,-9.99,-0.71,-9.16659530441221
C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C(=O)Nc1ccc(C(C)(C)C)cc1,C10747579_decoy,HS90A,Decoy,0.0,-6.7848,-8.46,-2.56,-6.721179668460815
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1,C11152358_decoy,HS90A,Decoy,0.0,-8.98686,-9.81,-2.69,-9.05956861567017
CCOC(=O)C1=C(CSc2nccn2-c2cccc(C)c2C)NC(=O)N[C@H]1c1ccco1,C10271448_decoy,HS90A,Decoy,0.0,-8.99813,-6.33,-2.32,-6.760469961541693
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1,C12007135_decoy,HS90A,Decoy,0.0,-10.6544,-5.38,-2.32,-6.560400891005373
O=C(N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1,C03203157_decoy,HS90A,Decoy,0.0,-8.54714,-10.0,-4.24,-8.71823613124817
CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nc(SC)nn21,C09409668_decoy,HS90A,Decoy,0.0,-9.33043,-8.13,-4.75,-9.774861770258113
CC(C)CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-],C14650669_decoy,HS90A,Decoy,0.0,-8.55541,-8.46,-1.52,-8.92286341738853
CC(C)c1ccc(OCc2nnc(SCc3nc(-c4ccsc4)no3)n2N)cc1,C21736903_decoy,HS90A,Decoy,0.0,-12.1693,-9.22,-2.25,-9.468232868946748
O=C(Nc1cccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1)c1cccs1,C24028722_decoy,HS90A,Decoy,0.0,-10.3015,-5.91,-3.35,-6.41200471256025
Cc1ccc(Oc2ccccc2NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cc1,C24768121_decoy,HS90A,Decoy,0.0,-10.0064,-10.17,-2.17,-10.786246725214582
C[C@H](Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)c1nnc(-c2ccccc2)o1,C26043282_decoy,HS90A,Decoy,0.0,-9.66687,-9.55,-3.07,-7.0451107462795255
CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1,C27533149_decoy,HS90A,Decoy,0.0,-8.9503,-5.58,-0.84,-6.017344227724338
Cc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)NC(=O)c2ccccc2C)c(C)c1,C28310133_decoy,HS90A,Decoy,0.0,-8.69914,-9.44,-0.85,-9.322342462100972
CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NC1CCCCCCC1)C2=O,C32828588_decoy,HS90A,Decoy,0.0,-8.23064,-7.02,-1.29,-7.782368114224537
Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1,C32850713_decoy,HS90A,Decoy,0.0,-8.41588,-9.89,-1.65,-10.707637617577792
CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F,C33773421_decoy,HS90A,Decoy,0.0,-7.56882,-5.87,-3.68,-5.752511351248731
Cc1ccccc1NC(=O)N(CCCNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1,C34972008_decoy,HS90A,Decoy,0.0,-8.57925,-8.65,-1.01,-8.41546777497953
Cc1cccc(NC(=O)N(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)c1,C34976380_decoy,HS90A,Decoy,0.0,-8.73526,-7.49,-3.65,-7.000677654623472
CCOC(=O)[C@H]1CCCN(c2nc(-c3ccc(C(F)(F)F)cc3)c3c(N)n(C)nc3n2)C1,C35577459_decoy,HS90A,Decoy,0.0,-9.88221,-10.16,-2.58,-10.04598751781492
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccnn3C3CCCC3)C2=O)cc1,C36740770_decoy,HS90A,Decoy,0.0,-8.87691,-6.37,-0.87,-6.204977390224956
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2,C36772002_decoy,HS90A,Decoy,0.0,-9.02358,-7.54,-2.3,-8.018984509924202
C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)NC(=O)NC1CCCCC1,C24478499_decoy,HS90A,Decoy,0.0,-9.43962,-9.85,-2.1,-7.887108331601692
Cc1ccc(/C=C/C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1,C38654557_decoy,HS90A,Decoy,0.0,-7.76414,-11.65,-0.41,-6.484765925675982
CC(C)C1=C[C@H]([C@H]2NN[C@H]3SC(COc4ccc(OCc5ccccc5)cc4)=NN23)N=N1,C38742687_decoy,HS90A,Decoy,0.0,-10.3561,-7.56,-3.55,-7.187290767379076
CC1=C(C2=NN=C(C(=O)N/N=C/c3ccc(N(C)C)cc3)C2)[C@H](C)N(c2ccccc2)N1,C38814891_decoy,HS90A,Decoy,0.0,-10.1699,-6.33,-0.92,-5.655824635047212
Cc1cc(=O)c(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nn1-c1ccc(Cl)cc1,C40119333_decoy,HS90A,Decoy,0.0,-9.5558,-7.86,-2.75,-7.9757303756278
C[C@@H](Nc1ncnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-])c1ccccc1,C40629160_decoy,HS90A,Decoy,0.0,-9.07061,-7.43,-1.66,-7.549068447290366
Cc1ccc(CNc2ncnc(Nc3ccc(Br)cn3)c2[N+](=O)[O-])cc1,C40647290_decoy,HS90A,Decoy,0.0,-9.12801,-8.25,-3.47,-8.075355357669919
CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(C)(C)C)cc1,C41023116_decoy,HS90A,Decoy,0.0,-9.00732,-4.73,-2.45,-5.987727525308976
CCCCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc([N+](=O)[O-])cc1,C09494378_decoy,HS90A,Decoy,0.0,-8.52577,-6.55,-0.75,-6.959854193905587
O=C(N/N=C/c1ccccc1O)[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-],C59202404_decoy,HS90A,Decoy,0.0,-8.50903,-9.44,-3.59,-8.219530084385209
Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1,C42342089_decoy,HS90A,Decoy,0.0,-8.45652,-8.63,-2.19,-9.386008541135164
COC(=O)c1c(CC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)[nH]c(C(C)=O)c1C,C59251791_decoy,HS90A,Decoy,0.0,-9.47605,-9.3,-1.19,-9.21510452455808
O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]c(Cc3ccccc3F)nc2c1,C59335115_decoy,HS90A,Decoy,0.0,-9.19232,-10.76,-4.06,-8.173554790339914
O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)NC(c1ccccc1)c1ccccc1,C13300890_decoy,HS90A,Decoy,0.0,-9.8198,-9.63,-2.12,-8.54922475370935
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1,C59476552_decoy,HS90A,Decoy,0.0,-9.39496,-10.11,-1.92,-7.642034611930641
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccc(OC)cc2)[C@@H](C)C1,C13758889_decoy,HS90A,Decoy,0.0,-9.8739,-7.78,-1.2,-7.931447942860471
COc1cccc2cc(C(=O)NCc3ccco3)/c(=[NH+]\c3ccc(C(=O)[O-])cc3)oc12,C13139700_decoy,HS90A,Decoy,0.0,-8.57303,-7.75,-0.2,-7.456180892319232
O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1cc([N+](=O)[O-])ccc1O,C62038998_decoy,HS90A,Decoy,0.0,-9.33192,-8.95,-3.84,-8.929832991497706
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1\C(=O)Nc2ccccc21,C01207791_decoy,HS90A,Decoy,0.0,-8.88136,-10.96,-1.96,-9.207326180137784
CCOc1cc(/C=C/C(=O)/N=c2\[nH]nc(-c3ccccc3OC)[nH]2)ccc1OC(F)F,C48373852_decoy,HS90A,Decoy,0.0,-9.45633,-8.12,-3.96,-6.123548645284195
CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O,C03595243_decoy,HS90A,Decoy,0.0,-7.21358,-6.95,-1.14,-6.520404239050917
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2,C05145799_decoy,HS90A,Decoy,0.0,-7.84024,-8.53,-2.67,-7.523617765209179
Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)c1,C08712416_decoy,HS90A,Decoy,0.0,-8.899,-9.37,-1.77,-7.78044290787342
CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@H]1c1cccs1,C08723715_decoy,HS90A,Decoy,0.0,-6.62316,-6.54,-2.23,-6.529524253864072
Cc1ccccc1-n1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nnc1-c1ccncc1,C08726020_decoy,HS90A,Decoy,0.0,-8.27294,-6.73,-2.03,-6.700653227618145
Cc1cccc(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c1[N+](=O)[O-],C09022483_decoy,HS90A,Decoy,0.0,-7.11386,-8.83,-0.9,-6.847246039644579
O=C(c1ccccc1[N+](=O)[O-])n1nc(NCc2cccs2)nc1NCc1cccs1,C09129621_decoy,HS90A,Decoy,0.0,-10.8203,-6.11,-1.54,-7.065639892321646
O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,C02198502_decoy,HS90A,Decoy,0.0,-8.8209,-10.38,-3.06,-7.646592017270499
CCOC(=O)NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCCC2,C09298458_decoy,HS90A,Decoy,0.0,-9.24604,-8.07,-5.92,-8.169972437486207
COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4c[nH]c5ccccc45)o3)nc2c1,C09964004_decoy,HS90A,Decoy,0.0,-9.53593,-9.32,-0.88,-8.532472516898686
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br,C10012226_decoy,HS90A,Decoy,0.0,-8.6732,-7.54,-1.24,-10.658329611646366
CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)NC(C)(C)C)nnc12,C10058312_decoy,HS90A,Decoy,0.0,-9.72344,-9.22,-3.56,-9.885188834374274
O=C(COc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1,C12009231_decoy,HS90A,Decoy,0.0,-8.93796,-10.47,-0.62,-8.45789199888589
Cc1cccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1,C12010419_decoy,HS90A,Decoy,0.0,-8.92438,-6.48,-2.52,-6.000488460825827
O=C(COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)NC(=O)NC1CCCCC1,C09634217_decoy,HS90A,Decoy,0.0,-10.4102,-10.98,-0.13,-9.905579661254716
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@H]1CCCC[C@@H]1O,C13575016_decoy,HS90A,Decoy,0.0,-8.03594,-6.27,-2.12,-6.800299252045298
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N[C@@H]1CCCC[C@@H]1O,C13575024_decoy,HS90A,Decoy,0.0,-7.19373,-7.37,-3.11,-7.280521131459239
CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1,C14200455_decoy,HS90A,Decoy,0.0,-8.12502,-9.75,-3.52,-8.615429000955766
O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,C15540709_decoy,HS90A,Decoy,0.0,-7.50209,-7.47,-2.04,-6.427568826758341
O=C(COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1,C15778089_decoy,HS90A,Decoy,0.0,-10.1847,-8.88,-2.82,-8.546040847503487
O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1,C16383660_decoy,HS90A,Decoy,0.0,-9.48206,-5.56,-1.16,-5.39431797680721
C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)c1cccc2ccccc12,C18416332_decoy,HS90A,Decoy,0.0,-7.08945,-7.73,-2.52,-5.871295164967147
Cc1cc(O)c(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C,C20310059_decoy,HS90A,Decoy,0.0,-8.76799,-8.71,-0.34,-9.47053152726494
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1,C22061073_decoy,HS90A,Decoy,0.0,-9.64925,-10.55,-4.5,-8.796749200350108
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)Nc3cc(C)on3)c2)cc1,C22196082_decoy,HS90A,Decoy,0.0,-10.2362,-10.14,-1.82,-9.367767714627352
Cc1ccc(NC(=O)NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)c(C)c1,C22522852_decoy,HS90A,Decoy,0.0,-8.22993,-8.21,-0.96,-8.856797283254846
CCc1ccc(NC(=O)C[C@H]2S/C(=N/N=C(\C)c3ccc([N+](=O)[O-])cc3)NC2=O)cc1,C28049693_decoy,HS90A,Decoy,0.0,-10.4272,-9.78,-3.58,-8.266040336180092
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,C30870478_decoy,HS90A,Decoy,0.0,-10.23,-6.24,-4.22,-6.6372828612444135
CC(C)(C)OC(=O)NC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1,C32937092_decoy,HS90A,Decoy,0.0,-8.70414,-6.68,-2.13,-6.669162521702982
O=C(CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1)Nc1ccc(Cl)cc1,C33087451_decoy,HS90A,Decoy,0.0,-10.1393,-9.22,-0.75,-8.024280008657218
Cc1nc(-c2ccccc2)[nH]c(=O)c1C[C@H](C)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1,C35993631_decoy,HS90A,Decoy,0.0,-8.65855,-9.19,-3.47,-8.249254165327272
CCOC(=O)C1=C(CSc2nnc(-c3ccoc3C)o2)NC(=O)N[C@@H]1c1ccccc1,C36627246_decoy,HS90A,Decoy,0.0,-9.79773,-7.93,-3.69,-7.247912486849811
COC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1,C36848613_decoy,HS90A,Decoy,0.0,-8.10513,-8.76,-2.31,-7.751466417241866
CC(NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1)=C1C=CC(=O)C=C1,C05916570_decoy,HS90A,Decoy,0.0,-7.81888,-7.89,-1.5,-7.414152397140776
CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCC2)c2cnn(C(C)C)c2n1,C07473072_decoy,HS90A,Decoy,0.0,-10.1599,-9.6,-1.4,-11.319617239671642
O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)n1nnc2ccccc21,C38529393_decoy,HS90A,Decoy,0.0,-8.63101,-12.16,-3.25,-8.635765192164733
O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1nc2ccc([N+](=O)[O-])cc2s1,C38739639_decoy,HS90A,Decoy,0.0,-11.3585,-5.23,-0.47,-5.933740087202753
CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cc3c(C)cc(C)cc3[nH]1)n2CC,C39536186_decoy,HS90A,Decoy,0.0,-9.92096,-9.36,-0.51,-9.700183919505092
CC1CCN(c2ncnc(NNC(=O)C(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])CC1,C40612965_decoy,HS90A,Decoy,0.0,-8.69543,-7.41,-2.74,-8.040706395878624
O=C(NNc1ncnc(OC2CCCCC2)c1[N+](=O)[O-])c1ccccc1Br,C40658404_decoy,HS90A,Decoy,0.0,-9.47503,-8.17,-1.39,-9.85879038588191
O=C(Cc1ccccc1)NNc1ncnc(Sc2cccc3cccnc23)c1[N+](=O)[O-],C40659470_decoy,HS90A,Decoy,0.0,-7.92961,-10.62,-1.49,-9.873128622906608
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1,C43962338_decoy,HS90A,Decoy,0.0,-9.58599,-9.39,-4.32,-9.268852594161272
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(C(=O)NCc2cccs2)C1,C49425867_decoy,HS90A,Decoy,0.0,-8.83497,-8.23,-2.17,-9.34522383580139
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O,C21626804_decoy,HS90A,Decoy,0.0,-8.27683,-9.56,-1.2,-8.501560697800622
CC(C)(C)c1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)n(-c2ccccc2)n1,C31768163_decoy,HS90A,Decoy,0.0,-8.76177,-9.15,-0.62,-7.824326041892107
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1,C26819627_decoy,HS90A,Decoy,0.0,-7.20509,-9.87,-4.55,-8.44582599675387
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O,C59421068_decoy,HS90A,Decoy,0.0,-8.03744,-9.91,-1.37,-8.613728843184859
O=[N+]([O-])c1ccc(NCCNc2ccc3ccccc3n2)c(S(=O)(=O)N2CCCC2)c1,C60061440_decoy,HS90A,Decoy,0.0,-7.67379,-9.24,-1.01,-7.542242795699311
CC1CCC(NS(=O)(=O)c2ccc(N[C@@H]3CC(=O)N(C(C)C)C3)c([N+](=O)[O-])c2)CC1,C60362934_decoy,HS90A,Decoy,0.0,-9.17143,-5.14,-1.88,-5.620811265140337
Cc1cc(C)c2c(OCC(=O)Nc3cccc(NC(=O)OCC(C)C)c3)nn(C)c2n1,C60376058_decoy,HS90A,Decoy,0.0,-9.58398,-10.3,-3.97,-8.700874143587066
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl,C02553737_decoy,HS90A,Decoy,0.0,-9.07375,-5.95,0.13,-5.6401552828241615
O=C(Nc1ccc(F)cc1)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F,C01027121_decoy,HS90A,Decoy,0.0,-7.98846,-9.72,-3.53,-6.762065103865317
CCN(CC)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-],C05795019_decoy,HS90A,Decoy,0.0,-8.0356,-6.07,-0.81,-6.265427461355792
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1,C07385996_decoy,HS90A,Decoy,0.0,-9.39554,-11.67,-1.57,-10.032135878158392
COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc4[nH]c(C)c(C)c4c3)nc2c1,C08134490_decoy,HS90A,Decoy,0.0,-9.81684,-9.0,-1.12,-7.777483749516066
O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1cccc([N+](=O)[O-])c1,C09344195_decoy,HS90A,Decoy,0.0,-8.47806,-10.62,-2.03,-9.406749086401415
Cc1ccc(-n2nnnc2SCCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,C11617503_decoy,HS90A,Decoy,0.0,-9.64595,-8.6,-3.37,-7.727607400227803
O=C(NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1)Nc1ccc(F)cc1,C11694589_decoy,HS90A,Decoy,0.0,-8.71654,-11.06,-1.33,-9.474496268986757
CCOc1ccccc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(CC)cc(=O)[nH]1,C11854547_decoy,HS90A,Decoy,0.0,-9.76375,-7.47,-3.45,-9.266464362017038
CCOC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)c(Cc2ccccc2)c(=O)[nH]1,C11855518_decoy,HS90A,Decoy,0.0,-9.98964,-7.91,-1.92,-10.329015101415273
CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc3ccccc3c2)n1,C12007789_decoy,HS90A,Decoy,0.0,-8.98904,-9.69,-2.08,-8.668163052866426
C[C@]1(O)N(N2C(=O)O[C@@](C)(Cc3ccccc3)[C@@]2(C)O)C(=O)O[C@@]1(C)Cc1ccccc1,C12402037_decoy,HS90A,Decoy,0.0,-8.05795,-6.11,-1.75,-5.921692482381057
CC(C)c1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1,C12580320_decoy,HS90A,Decoy,0.0,-9.76604,-9.99,-4.95,-8.30312025799219
CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1[N+](=O)[O-],C14666904_decoy,HS90A,Decoy,0.0,-7.9962,-7.35,-3.09,-8.688321754962404
CC(C)COc1ccc(Br)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1,C14666997_decoy,HS90A,Decoy,0.0,-9.12931,-8.37,-1.68,-7.957640685659925
CNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccc(C)cc1,C16711567_decoy,HS90A,Decoy,0.0,-8.7271,-9.97,-1.85,-11.98305094702703
Cc1cccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1[N+](=O)[O-],C17201819_decoy,HS90A,Decoy,0.0,-6.81523,-10.01,-0.29,-8.103464662613188
N#Cc1ccc(C=NNC(=O)C(C(=O)N/N=C/c2ccc(C#N)cc2)[C@@H]2C=CCCC2)cc1,C19808654_decoy,HS90A,Decoy,0.0,-8.68375,-6.75,-2.92,-8.583643629731611
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1,C06137221_decoy,HS90A,Decoy,0.0,-8.31796,-5.98,-3.02,-5.758534247755319
Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nnnn2C2CCCCC2)c(C)c1,C23200348_decoy,HS90A,Decoy,0.0,-7.82679,-7.69,-0.53,-7.616701865825145
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1cc([N+](=O)[O-])ccc1F,C29356077_decoy,HS90A,Decoy,0.0,-10.7187,-8.62,-3.16,-7.550556203686948
N#Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)oc(-c2ccco2)c1-c1ccco1,C32697413_decoy,HS90A,Decoy,0.0,-9.87062,-10.12,-0.65,-9.03268656895041
N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1,C38654625_decoy,HS90A,Decoy,0.0,-8.8288,-8.05,-3.18,-8.521634005105959
C[C@]1(/C=N/Nc2nnc(N/N=C/[C@]3(C)CCC=CO3)c3ccccc23)CCC=CO1,C17418206_decoy,HS90A,Decoy,0.0,-10.302,-6.36,-2.77,-6.713586094796032
CCOc1ccccc1C1=C[C@@H](C(=O)N/N=C/C2=C(C)NN(c3ccccc3)[C@@H]2C)N=N1,C38826457_decoy,HS90A,Decoy,0.0,-8.71495,-8.28,-2.99,-7.789338245068697
CC(C)(C)C1=NN=C2OC(N)=C(C#N)[C@H](c3ccc(OC(=O)c4ccco4)cc3)[C@H]21,C04004494_decoy,HS90A,Decoy,0.0,-7.83666,-9.06,-1.95,-8.565478874824525
COc1ccccc1Nc1nc(-c2cnc(N3CCC(C)CC3)nc2C)cc(=O)[nH]1,C39383680_decoy,HS90A,Decoy,0.0,-9.86327,-8.87,-1.24,-14.282486869430176
Cc1cccc(Nc2ncnc(Nc3ccc(Br)cc3F)c2[N+](=O)[O-])n1,C40584811_decoy,HS90A,Decoy,0.0,-8.59233,-9.19,-1.44,-9.857724392710974
CCOC(=O)N/N=C1\CCCc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c21,C40825552_decoy,HS90A,Decoy,0.0,-9.63233,-9.77,-3.31,-8.819995561710918
Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1,C41086085_decoy,HS90A,Decoy,0.0,-10.6246,-7.75,-1.04,-6.594119636701725
CC(C)=NNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2,C44452972_decoy,HS90A,Decoy,0.0,-10.4861,-5.4,-4.39,-6.745901958393961
CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O,C08885491_decoy,HS90A,Decoy,0.0,-9.25472,-8.39,-3.76,-9.993340593073002
CC(C)Cn1c(S[C@H](C)c2nc(N)nc(N(C)C)n2)nc2ccc(Cl)cc2c1=O,C24900376_decoy,HS90A,Decoy,0.0,-9.882,-9.23,-4.43,-10.80174858353221
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,C04505164_decoy,HS90A,Decoy,0.0,-7.57241,-7.46,-3.29,-6.117983943557729
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1,C04505173_decoy,HS90A,Decoy,0.0,-8.32646,-9.37,-1.03,-8.175853616716507
CCC[C@@H]1Nc2c(C)cc[nH+]c2N1Cc1ccc(-c2cnccc2-c2nnn[n-]2)cc1,C52595487_decoy,HS90A,Decoy,0.0,-8.68681,-5.25,-1.44,-5.570654853124148
CCC[C@H]1Nc2c(C)cc[nH+]c2N1Cc1ccc(-c2cnccc2-c2nnn[n-]2)cc1,C52595490_decoy,HS90A,Decoy,0.0,-9.77386,-6.35,-1.43,-6.877205154656865
COc1ccc(CCN2CN=C(Nc3nc(C)c4cc(C)cc(C)c4n3)NC2)cc1OC,C20634451_decoy,HS90A,Decoy,0.0,-9.92262,-9.73,-2.28,-7.803405812503662
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C,C57458219_decoy,HS90A,Decoy,0.0,-6.912,-10.85,-1.76,-8.49660710489215
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1,C19616971_decoy,HS90A,Decoy,0.0,-9.21907,-9.15,-1.78,-7.205308416564415
C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F,C17118162_decoy,HS90A,Decoy,0.0,-6.50091,-9.43,-4.68,-7.212703516329572
CCCCn1c(S[C@@H](C)c2nc(N)nc(N(C)C)n2)nc2sc(C)c(C)c2c1=O,C24884593_decoy,HS90A,Decoy,0.0,-10.052,-6.76,-1.28,-8.091617905309159
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)/N=c2\[nH]c3ccccc3n2-c2ccccc2)o1,C59310174_decoy,HS90A,Decoy,0.0,-6.97251,-8.43,-2.06,-7.461170369082224
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12,C17091050_decoy,HS90A,Decoy,0.0,-7.7289,-9.3,-1.14,-7.505295323974762
Nn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1,C59790251_decoy,HS90A,Decoy,0.0,-9.84723,-5.87,-1.34,-5.885785466077063
Nn1c(SCC(=O)C2C3CC4CC(C3)CC2C4)nnc1-c1ccc([N+](=O)[O-])cc1,C59790277_decoy,HS90A,Decoy,0.0,-9.36869,-5.74,-2.2,-5.879064398627745
COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)N3NC(/N=C(\[O-])c4ccco4)=NC3=[NH+]2)cc1,C13122740_decoy,HS90A,Decoy,0.0,-8.59272,-6.95,-1.03,-4.835538032639676
COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1,C13131769_decoy,HS90A,Decoy,0.0,-9.52707,-5.53,-2.77,-5.943260157115765
O=C1Nc2ccccc2/C1=N/NC(=O)[C@H]1C=C(c2cccc(OCc3ccccc3)c2)N=N1,C38985352_decoy,HS90A,Decoy,0.0,-8.12062,-10.27,-1.31,-9.967056349132784
Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1,C46031615_decoy,HS90A,Decoy,0.0,-9.79181,-10.38,-3.86,-8.505163554122527
CCCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC,C06025841_decoy,HS90A,Decoy,0.0,-11.2056,-9.86,-2.95,-9.012533350831044
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1,C01067436_decoy,HS90A,Decoy,0.0,-10.0453,-7.49,-2.37,-7.983249515300513
O=C(N/N=C/c1ccc(OC(=O)c2cccnc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1,C06144657_decoy,HS90A,Decoy,0.0,-11.4528,-6.54,-1.38,-6.292738880966697
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNc2c(C)cccc2C)n1-c1ccccc1,C00869034_decoy,HS90A,Decoy,0.0,-7.24686,-10.05,-1.12,-8.535389033482977
Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1,C08712060_decoy,HS90A,Decoy,0.0,-9.02496,-9.97,-2.74,-9.57024014644862
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)sc2c1CC[C@@H](C)C2,C08889195_decoy,HS90A,Decoy,0.0,-7.91256,-7.17,-1.85,-6.494768696701055
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1C(=O)N[C@](CC)(c2ccc(F)cc2)C1=O,C08891847_decoy,HS90A,Decoy,0.0,-8.56847,-7.66,-1.95,-8.650068042446021
C=CCn1/c(=N/C(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2cc(S(N)(=O)=O)ccc21,C09000030_decoy,HS90A,Decoy,0.0,-10.6361,-8.58,-1.79,-11.437701561002411
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc3[nH]c(=O)cc(CC)n23)sc2c1CCCCC2,C09018289_decoy,HS90A,Decoy,0.0,-10.4927,-8.2,-3.5,-9.330047218152016
Cc1ccc(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2-c2ccccc2)cc1[N+](=O)[O-],C06443456_decoy,HS90A,Decoy,0.0,-6.94435,-9.58,-4.96,-7.175518224717033
CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1,C09218991_decoy,HS90A,Decoy,0.0,-10.1155,-7.72,-2.61,-10.80538155223428
COC(=O)c1sc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c(C(=O)OC)c1C,C09349166_decoy,HS90A,Decoy,0.0,-10.9647,-8.59,-2.64,-10.545638807905252
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc(O)c3cnn(C(C)(C)C)c3n2)sc2c1CCC2,C09521066_decoy,HS90A,Decoy,0.0,-10.9715,-9.27,-1.9,-11.455922007813784
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCC(=O)NC(=O)NC3CCCCC3)cc2)cc1,C10148358_decoy,HS90A,Decoy,0.0,-10.4244,-8.81,-5.32,-8.841505710375435
CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)C2=O,C10364311_decoy,HS90A,Decoy,0.0,-9.89463,-10.67,-4.6,-9.296506874696952
CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)sc2c1CC[C@@H](C)C2,C10913237_decoy,HS90A,Decoy,0.0,-10.4676,-9.25,-2.22,-14.32476391489558
CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)Cc2n[nH]c(=O)c3ccccc23)sc2c1CC[C@H](C)C2,C10913242_decoy,HS90A,Decoy,0.0,-10.0629,-9.9,-2.43,-12.90094591597624
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1,C11503040_decoy,HS90A,Decoy,0.0,-9.92936,-7.46,-4.34,-7.487710995766534
Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1,C11682620_decoy,HS90A,Decoy,0.0,-6.90111,-10.9,-4.6,-9.717473206926869
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1,C08923757_decoy,HS90A,Decoy,0.0,-9.30767,-10.92,-3.16,-12.862118964525928
CCOC(=O)c1c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)sc(C)c1CC,C12586583_decoy,HS90A,Decoy,0.0,-8.71511,-9.06,-2.89,-9.301040116534042
CCOC(=O)Cn1/c(=N/C(=O)c2ccc(N(CC)CC)cc2)sc2cc(S(N)(=O)=O)ccc21,C09809640_decoy,HS90A,Decoy,0.0,-10.2024,-6.83,-2.86,-5.903998777888827
Cc1cccc(NC(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C,C16214113_decoy,HS90A,Decoy,0.0,-9.93955,-9.75,-2.17,-8.734691876409126
CCOc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)N[C@@H](C)CC)CN3c2ccccc2)cc1,C16613115_decoy,HS90A,Decoy,0.0,-9.75723,-6.18,-3.22,-6.621614878857477
CCOC(=O)C1=C(COC(=O)c2cccnc2Sc2ccccc2)NC(=O)N[C@H]1c1ccco1,C19012286_decoy,HS90A,Decoy,0.0,-9.38219,-9.1,-4.01,-8.963776790705795
O=C(COc1ccccc1C(=O)OCC(=O)Nc1cccc2nsnc12)Nc1ccccc1F,C19107031_decoy,HS90A,Decoy,0.0,-9.58332,-10.97,-0.85,-19.309483328127502
Cc1ccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C(C)C)cc1,C19351030_decoy,HS90A,Decoy,0.0,-9.4346,-8.45,-1.6,-9.028217944293608
Cc1nn(C(C)C)c(C)c1/C=N/Nc1nc(SCCC(=O)N(c2ccccc2)c2ccccc2)n[nH]1,C20905160_decoy,HS90A,Decoy,0.0,-9.75191,-9.83,-3.52,-8.081931138452587
CCCCN1C(=O)CC[C@H](C(=O)NNc2nc3ccccc3c(=O)n2CC)[C@@H]1c1ccccc1OC,C22699892_decoy,HS90A,Decoy,0.0,-7.15174,-5.61,-2.94,-5.851399123673439
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CCc2nc(-c3cccs3)no2)c1,C22705601_decoy,HS90A,Decoy,0.0,-10.8077,-10.26,-2.97,-9.219908815424423
CCOC(=O)N1CCC(C(=O)Nc2cc(OCC)c(NC(=O)c3ccccc3)cc2OCC)CC1,C24007262_decoy,HS90A,Decoy,0.0,-8.1966,-5.1,-2.59,-6.069041277781041
CCCOc1ccc([C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC,C01825880_decoy,HS90A,Decoy,0.0,-9.79508,-6.52,-2.65,-8.268955838884855
CC(C)(C)C(=O)Nc1ccc(-c2csc(NC(=O)CCn3nc(-c4cccs4)oc3=O)n2)cc1,C32808734_decoy,HS90A,Decoy,0.0,-12.2309,-8.54,-4.12,-8.151973134245901
CCOC(=O)C1=C(COC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)NC(=O)N[C@@H]1CC,C32858473_decoy,HS90A,Decoy,0.0,-9.12639,-7.79,-1.44,-8.634706472876292
Cc1ccc(OCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1,C34905277_decoy,HS90A,Decoy,0.0,-9.25742,-9.36,-2.64,-9.580708424761978
Cc1ccc(OCc2nc(C(=O)N[C@H]3CCCC[C@@H]3NC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1,C34905278_decoy,HS90A,Decoy,0.0,-9.1601,-10.86,-3.6,-8.38615596179099
COCCCNC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1N1CCc2ccccc2C1,C33855666_decoy,HS90A,Decoy,0.0,-10.6702,-6.11,-4.72,-6.286529335607528
CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1,C36500368_decoy,HS90A,Decoy,0.0,-8.37024,-7.4,-1.97,-9.110210226559415
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1,C02697390_decoy,HS90A,Decoy,0.0,-8.71792,-6.67,-3.87,-6.9817112022850845
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)cc(OC)c1OC,C38660478_decoy,HS90A,Decoy,0.0,-10.1171,-9.89,-1.73,-9.116109811619152
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccccc4C)ccc32)cc(OC)c1OC,C38660489_decoy,HS90A,Decoy,0.0,-9.62273,-9.02,-1.36,-9.33809542090748
CCOC(=O)[C@@H]1C2=C(CCCC2)S[C@@H]1NC(=O)CS[C@H]1N=NC(N/N=C/c2cccs2)=N1,C39404359_decoy,HS90A,Decoy,0.0,-11.5917,-8.23,-2.28,-9.3578254198972
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc(Oc3ccccc3)cc1)C2=O,C21138866_decoy,HS90A,Decoy,0.0,-9.0486,-9.11,-3.21,-8.209495406922649
CCOC(=O)c1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC(N)=O)cc2)cc1,C39880226_decoy,HS90A,Decoy,0.0,-10.7107,-5.52,-3.09,-6.597957650785915
O=C(/C=C/c1ccccc1)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCCC1=NC2=CC=CCC2=N1,C39949604_decoy,HS90A,Decoy,0.0,-8.98218,-9.95,-2.94,-9.221227796714825
C[C@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)c([N+](=O)[O-])c2)C1,C40067617_decoy,HS90A,Decoy,0.0,-9.70081,-10.09,-1.88,-9.193933167150556
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)n1,C45915849_decoy,HS90A,Decoy,0.0,-9.73307,-8.75,-3.11,-7.372619947235987
C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)c1C,C59831324_decoy,HS90A,Decoy,0.0,-10.6447,-10.09,-1.73,-8.17055431598698
COc1ccc(/C=C/C(=O)/N=C(\[N-]CCC2=c3ccc(OC)cc3=[NH+]C2)Nc2nc(C)cc(C)n2)cc1,C63744070_decoy,HS90A,Decoy,0.0,-10.1228,-9.39,-1.95,-9.649118097016352
COCCNC(=O)CN1CCN(c2nn3c(NC4CCCC4)c(-c4ccc(C)cc4)nc3s2)CC1,C64451961_decoy,HS90A,Decoy,0.0,-11.3184,-9.31,-3.13,-11.014525977369145
COc1ccccc1NC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccccc1)CN2c1ccccc1,C04185308_decoy,HS90A,Decoy,0.0,-10.3187,-11.31,-3.53,-10.073233892917033
COc1ccc(-c2cc([C@H]3C[NH+]4CC[C@H]3C[C@@H]4CNC(=O)CC3(CC(=O)[O-])CCCC3)n(C)n2)cc1OC,C08635490_decoy,HS90A,Decoy,0.0,-9.64437,-8.62,-2.01,-9.665663483327254
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2cccc(C)c2)s1,C08792791_decoy,HS90A,Decoy,0.0,-12.2596,-7.27,-1.68,-9.712267627458996
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1,C08897876_decoy,HS90A,Decoy,0.0,-10.7514,-8.68,-3.43,-11.88173250997048
CCOc1ccccc1NC(=O)CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1,C08909082_decoy,HS90A,Decoy,0.0,-11.9133,-9.51,-4.06,-8.25008735597463
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CCCC2,C09297979_decoy,HS90A,Decoy,0.0,-8.79032,-6.43,-3.58,-8.171812934037732
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CCCCC2,C09298469_decoy,HS90A,Decoy,0.0,-9.19645,-7.93,-1.39,-9.315217103091555
C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1,C09636356_decoy,HS90A,Decoy,0.0,-10.2855,-8.55,-3.25,-9.814471264530038
CCOC(=O)c1ccc(NC(=O)COC(=O)CC2(CC3=Nc4ccccc4S(=O)(=O)N3)CCCC2)cc1,C09529619_decoy,HS90A,Decoy,0.0,-10.5005,-9.63,-3.8,-10.174675734954365
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2c1CC[C@@H](C)C2,C10098866_decoy,HS90A,Decoy,0.0,-10.934,-6.31,-4.13,-7.853598480435105
CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)n1,C11854844_decoy,HS90A,Decoy,0.0,-11.6636,-9.15,-2.43,-9.471462969632542
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)[nH]c1=O,C11855176_decoy,HS90A,Decoy,0.0,-11.0926,-8.58,-2.21,-9.66533445697782
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1,C12250486_decoy,HS90A,Decoy,0.0,-9.47833,-6.6,-1.26,-7.719625205244858
CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2S(=O)(=O)CC)sc2cc(S(N)(=O)=O)ccc21,C12312465_decoy,HS90A,Decoy,0.0,-11.2127,-5.73,-2.08,-7.162093766361501
Cc1ccc(NC(=O)[C@H](OC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,C12643937_decoy,HS90A,Decoy,0.0,-9.08699,-9.69,-1.99,-8.451062119195996
CCOC(=O)C1=C(COC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)NC(=O)N[C@@H]1c1ccc(C)o1,C12744891_decoy,HS90A,Decoy,0.0,-7.9052,-8.36,-2.05,-7.188284012130253
COc1cc([C@H](Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)NC(C)(C)C)cc(OC)c1OC,C13028296_decoy,HS90A,Decoy,0.0,-9.28145,-7.71,-2.79,-9.20510687550404
COC(=O)c1sc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C(=O)OC)c1C,C13129233_decoy,HS90A,Decoy,0.0,-9.6211,-8.97,-4.43,-10.29918561202759
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(C)=O)c2C)cc1,C02645040_decoy,HS90A,Decoy,0.0,-10.0924,-10.23,-3.26,-9.387261679528187
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccc(C)cc2)cc1,C13575032_decoy,HS90A,Decoy,0.0,-9.8294,-8.87,-2.46,-8.664379026989144
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,C13778434_decoy,HS90A,Decoy,0.0,-11.0478,-10.92,-4.53,-9.44342064372772
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1,C02079937_decoy,HS90A,Decoy,0.0,-10.3785,-9.13,-3.08,-11.050072473096574
COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(NCc3ccccn3)cnc2n1CCCc1ccccc1,C14732118_decoy,HS90A,Decoy,0.0,-11.1949,-8.59,-4.83,-9.303429951783055
CCCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CC(=O)OCC)c1ccccc12,C16007200_decoy,HS90A,Decoy,0.0,-7.69431,-4.84,-3.7,-5.381660363836302
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccc(NC(C)=O)cc2)[C@H]1c1ccc([N+](=O)[O-])s1,C19923950_decoy,HS90A,Decoy,0.0,-10.0171,-6.23,-4.04,-7.27222468595965
CCOc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)cc1,C20106522_decoy,HS90A,Decoy,0.0,-11.4382,-6.46,-3.28,-8.45825641522392
C=CCN1C(=O)/C(=N\NC(=S)Nc2ccc(OC)cc2)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,C20679250_decoy,HS90A,Decoy,0.0,-11.1802,-9.29,-2.24,-9.65137269190824
COC(=O)c1c(NC(=O)[C@@H]2CCOC2)c2cc(NCc3cn(C)nc3C)cnc2n1CCc1ccccc1,C20999060_decoy,HS90A,Decoy,0.0,-11.3408,-9.26,-2.93,-9.84152324026618
COC(=O)c1c(NC(=O)[C@H]2CCOC2)c2cc(NCc3cn(C)nc3C)cnc2n1CCc1ccccc1,C20999062_decoy,HS90A,Decoy,0.0,-10.8072,-7.88,-2.45,-9.517604492527468
CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C,C21225257_decoy,HS90A,Decoy,0.0,-9.53464,-7.16,-2.61,-6.664479230936134
CCOC(=O)C1=C(COC(=O)c2csc(COc3ccc(F)cc3)n2)NC(=O)N[C@H]1c1ccc(C)o1,C24839399_decoy,HS90A,Decoy,0.0,-10.4622,-8.2,-1.41,-8.76770749781351
CCOC(=O)c1sc2c(c1C)c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2CC(=O)NC1CCCCC1,C34776989_decoy,HS90A,Decoy,0.0,-10.1293,-9.53,-1.21,-10.007912371322185
COC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n12,C35718093_decoy,HS90A,Decoy,0.0,-8.90789,-6.66,-3.39,-6.2798839323921065
COC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n12,C35718096_decoy,HS90A,Decoy,0.0,-8.97142,-5.21,-3.15,-5.99007883225533
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1,C35955578_decoy,HS90A,Decoy,0.0,-8.84596,-7.71,-3.07,-7.240449926309359
CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC,C36013918_decoy,HS90A,Decoy,0.0,-9.37009,-6.63,-1.49,-9.690944417323513
Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4ccco4)cc3)[C@H]2C(=O)NCc2cccnc2)c1,C36217160_decoy,HS90A,Decoy,0.0,-9.58798,-8.41,-5.02,-7.88306376407562
COCCNC(=O)[C@@H]1[C@H](c2ccc(NC(=O)c3ccccc3OC)cc2)OC(=O)N1Cc1ccc(F)cc1,C36219554_decoy,HS90A,Decoy,0.0,-8.60742,-7.69,-3.31,-7.450356808203883
Cc1ccccc1CN1C(=O)O[C@H](c2ccc(NC(=O)c3ccco3)cc2)[C@H]1C(=O)NCc1ccccn1,C36220429_decoy,HS90A,Decoy,0.0,-10.2346,-5.8,-3.64,-6.709402521619968
COCCNC(=O)[C@H]1[C@@H](c2ccc(NC(=O)c3ccc(C)cc3)cc2)OC(=O)N1Cc1cccc(OC)c1,C36221127_decoy,HS90A,Decoy,0.0,-9.19819,-7.78,-3.26,-9.249530525773997
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)c1,C39556236_decoy,HS90A,Decoy,0.0,-9.90958,-11.13,-3.54,-10.33974491052824
Cc1cccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)c1,C39757272_decoy,HS90A,Decoy,0.0,-9.74572,-8.38,-3.82,-8.995557221091039
O=C(N[C@H](CO)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)c1ccc(Cl)cc1,C39758328_decoy,HS90A,Decoy,0.0,-9.51411,-7.96,-4.15,-7.317615163188058
C[C@@H](NC(=O)c1ccco1)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1C,C39773016_decoy,HS90A,Decoy,0.0,-9.41613,-7.46,-4.09,-7.144546194882803
COc1cc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)Nc3ccccc3C)C(C)C)C[C@H]2C)cc(OC)c1OC,C40356461_decoy,HS90A,Decoy,0.0,-9.17458,-6.02,-2.05,-5.774280518184947
CCN(CC)C(=O)COc1ccc([C@@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3ncnn32)cc1OC,C41023671_decoy,HS90A,Decoy,0.0,-9.37734,-8.34,-2.6,-10.029639389225496
COc1cc(/C=N\N=C2\S/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)N2Cc2ccco2)ccc1O,C47137440_decoy,HS90A,Decoy,0.0,-11.2232,-9.27,-1.91,-9.288941955921416
Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc23)c1,C00887720_decoy,HS90A,Decoy,0.0,-9.71581,-9.13,-3.76,-9.568915715077503
Cc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)N(C(C)C)c3ccc(C)cc31)C(=O)N2C(C)C,C38180204_decoy,HS90A,Decoy,0.0,-8.83585,-10.23,-1.6,-11.21643454856858
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1,C57328300_decoy,HS90A,Decoy,0.0,-11.5619,-7.82,-1.39,-9.043528628498
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-],C08820466_decoy,HS90A,Decoy,0.0,-9.63377,-6.83,-4.78,-6.144017227414183
CCOC(=O)C1=C(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)NC(=O)N[C@@H]1c1ccccc1,C08825088_decoy,HS90A,Decoy,0.0,-8.09354,-9.79,-0.95,-14.4953505708766
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O,C08890557_decoy,HS90A,Decoy,0.0,-9.65122,-6.71,-1.08,-7.1926830049638495
CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nnc3[nH]c(=O)cc(CC)n23)sc2c1CCCC2,C09018285_decoy,HS90A,Decoy,0.0,-9.04303,-8.61,-1.56,-10.556877903834136
CCOc1cccc2cc(C(=O)/N=c3\sc4cc(S(N)(=O)=O)ccc4n3CCOC)oc12,C08962727_decoy,HS90A,Decoy,0.0,-11.4926,-10.08,-2.61,-14.107712609744867
CCOC(=O)NC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2,C09298226_decoy,HS90A,Decoy,0.0,-10.6206,-7.48,-1.61,-8.484964061309803
CC/C(=N\[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,C09424389_decoy,HS90A,Decoy,0.0,-8.43134,-8.32,-2.1,-8.424036042177695
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F,C09544333_decoy,HS90A,Decoy,0.0,-6.70305,-9.35,-1.46,-7.698984729423505
C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)C1=O,C09780690_decoy,HS90A,Decoy,0.0,-7.76821,-10.18,-2.63,-8.387005333370949
CCOC(=O)c1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1,C09833247_decoy,HS90A,Decoy,0.0,-9.90411,-10.21,-2.7,-8.654908058365084
CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1,C10130701_decoy,HS90A,Decoy,0.0,-9.80418,-9.34,-1.67,-13.965019056072506
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1)C2=O,C10753828_decoy,HS90A,Decoy,0.0,-8.93941,-9.95,-1.33,-10.572021203002258
Cc1cccc(NC(=O)NC(=O)COC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1C,C10817764_decoy,HS90A,Decoy,0.0,-8.70902,-11.02,-2.43,-8.260570043396557
CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1OCc1ccccc1)C2=O,C10863995_decoy,HS90A,Decoy,0.0,-9.64832,-11.11,-3.92,-9.88641917773501
CN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)cc1,C11030745_decoy,HS90A,Decoy,0.0,-10.3748,-9.78,-4.36,-9.172089279536433
O=C(COc1ccc(F)cc1)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1,C12009278_decoy,HS90A,Decoy,0.0,-9.3484,-10.73,-2.73,-9.30122238638654
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1,C12687117_decoy,HS90A,Decoy,0.0,-9.08979,-8.32,-4.18,-7.692520729618765
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)C(C)C)cc1,C12779935_decoy,HS90A,Decoy,0.0,-7.68551,-9.05,-0.41,-8.346691205843527
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1,C13098552_decoy,HS90A,Decoy,0.0,-11.3184,-9.09,-0.14,-9.862787339304248
Cc1cccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2nccs2)c1C,C09611618_decoy,HS90A,Decoy,0.0,-10.1327,-7.24,-3.53,-7.6402463641407135
C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C,C14242119_decoy,HS90A,Decoy,0.0,-6.01096,-8.79,-0.89,-6.920261105827439
Cc1ccc(S(=O)(=O)N(CC(=O)NNC(=O)c2oc3ccccc3c2C)Cc2ccco2)cc1,C15942128_decoy,HS90A,Decoy,0.0,-8.21025,-10.63,-2.41,-8.659338629950192
CCCCOc1ccc(NC(=O)/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1,C15955429_decoy,HS90A,Decoy,0.0,-10.8155,-6.11,-0.5,-6.34182335988263
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1S(=O)(=O)N1CCCC1,C16070478_decoy,HS90A,Decoy,0.0,-8.85817,-8.71,-3.1,-8.604430009832127
CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)c1C,C16713773_decoy,HS90A,Decoy,0.0,-7.27007,-10.07,-1.48,-8.476923989779664
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1,C17359386_decoy,HS90A,Decoy,0.0,-8.61704,-7.05,-4.25,-9.458071973438573
CCOC(=O)Nc1ccc2c(COC(=O)C34C[C@@H]5C[C@@H](CC(NC(C)=O)(C5)C3)C4)cc(=O)oc2c1,C18272456_decoy,HS90A,Decoy,0.0,-10.252,-9.01,-4.92,-10.988242978297432
C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N1c2ccccc2NC(=O)C1(C)C,C18523678_decoy,HS90A,Decoy,0.0,-6.74392,-8.16,-4.81,-7.2212900809549
CCCCOC(=O)C1=C(N)N(CC(=O)OC)c2ccccc2[C@@]12C(=O)OC1=C2C(=O)CC(C)(C)C1,C20583271_decoy,HS90A,Decoy,0.0,-8.3604,-5.22,-1.9,-6.112393793138517
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O,C21899482_decoy,HS90A,Decoy,0.0,-8.66588,-9.71,-3.15,-10.298174566972197
COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)c1C,C22614064_decoy,HS90A,Decoy,0.0,-9.51664,-9.42,-3.1,-9.736085796009682
C=CCn1c(Cc2csc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)n[nH]c1=S,C23041848_decoy,HS90A,Decoy,0.0,-11.8756,-7.81,-2.4,-10.93798247839691
COC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)sc2c1CC[C@H](C)C2,C23656684_decoy,HS90A,Decoy,0.0,-9.64769,-9.41,-2.64,-10.84372767355852
CS(=O)(=O)c1ccc(NCCNC(=O)Cc2coc3ccc4ccccc4c23)c([N+](=O)[O-])c1,C24189153_decoy,HS90A,Decoy,0.0,-7.02231,-9.5,-3.26,-8.308841714425443
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3ccc(NC(=O)[C@H](C)n4cncn4)cc3)c2C)cc1,C25295996_decoy,HS90A,Decoy,0.0,-10.9576,-9.92,-3.45,-8.886540916911226
CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)C1=O,C29379585_decoy,HS90A,Decoy,0.0,-8.89824,-9.37,-1.47,-8.919532273058635
CNC(=O)COc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1,C31522796_decoy,HS90A,Decoy,0.0,-9.18015,-8.94,-3.63,-6.874894013798663
CCCCc1ccc(NC(=O)Cn2cnc3nc(N4CCC[C@@H](C(=O)NC)C4)sc3c2=O)cc1,C33141167_decoy,HS90A,Decoy,0.0,-11.8047,-8.42,-2.54,-10.20459041723282
CCCNC(=O)[C@@H]1CCCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)c3s2)C1,C33141377_decoy,HS90A,Decoy,0.0,-12.0873,-7.36,-1.76,-8.34702327375622
O=C(CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCCC3)nnc12)NC1CCCC1,C33292087_decoy,HS90A,Decoy,0.0,-11.0051,-10.53,-2.35,-10.468751602009885
CCOC(=O)c1c(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)sc(C(=O)NC)c1C,C39539237_decoy,HS90A,Decoy,0.0,-10.6974,-9.87,-0.89,-12.782353272468209
COCCn1c(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1ccncc1,C36640511_decoy,HS90A,Decoy,0.0,-9.49567,-7.58,-1.18,-8.40821766714855
CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CCn1nnc2ccccc2c1=O,C40139122_decoy,HS90A,Decoy,0.0,-8.35961,-9.42,-1.06,-10.988633035796491
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O,C45652595_decoy,HS90A,Decoy,0.0,-8.27032,-10.02,-1.75,-7.763036272273578
C[C@H](NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccc(NC(=O)C2CC2)cc1,C46818618_decoy,HS90A,Decoy,0.0,-10.418,-6.48,-5.25,-6.386276785481005
Cc1ccc(NC(=O)C(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1N1CCCC1=O,C49505121_decoy,HS90A,Decoy,0.0,-12.0667,-7.35,-2.26,-7.879335257871854
COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CC3CCCCC3)C2=O)c(OC)c1OC,C13776925_decoy,HS90A,Decoy,0.0,-8.84758,-7.94,-2.13,-8.820790684580457
CC(C)n1ncc2c(C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCC3)cc(-c3cccs3)nc21,C11052322_decoy,HS90A,Decoy,0.0,-10.6939,-8.78,-0.25,-13.175320216345993
Cc1cc(C)nc(/N=C(\NC(=S)Nc2ccc(C)c(C)c2)N2CCN(c3ncccn3)CC2)n1,C14160447_decoy,HS90A,Decoy,0.0,-11.3866,-8.44,-2.04,-8.575894423814692
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1,C13070298_decoy,HS90A,Decoy,0.0,-8.95276,-9.36,-2.07,-7.4606799996582
Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccn3)c(O)c2n1,C00684054_decoy,HS90A,Decoy,0.0,-9.41404,-10.14,-1.51,-8.44700123101036
Cc1cc[nH+]c(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c1,C02470579_decoy,HS90A,Decoy,0.0,-9.93968,-9.64,-2.91,-9.992495594353583
Cc1cc(C)nc(NC2=[NH+][C@@H]3CCCC[C@@H]3N2C(=O)Nc2ccccc2)n1,C01107407_decoy,HS90A,Decoy,0.0,-8.49738,-8.76,-2.16,-7.748020325229218
Cc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccco1,C04883374_decoy,HS90A,Decoy,0.0,-7.39468,-8.15,-1.93,-7.587475189539973
NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[NH+]12,C04899107_decoy,HS90A,Decoy,0.0,-7.32897,-4.66,-0.82,-4.059799971373998
C[C@H](c1ccccc1)[NH+]1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1,C05352886_decoy,HS90A,Decoy,0.0,-8.92106,-8.54,-0.07,-7.915293188603411
CC1(C)CC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1,C06634171_decoy,HS90A,Decoy,0.0,-7.37102,-5.06,-2.97,-4.589075395475708
C[NH+](CC(=O)NC(=O)Nc1ccccc1F)[C@@H]1CCCc2ccccc21,C07987023_decoy,HS90A,Decoy,0.0,-8.02656,-9.36,-0.14,-6.96208383586433
CC1(C)CC(NC(=O)COc2cccc3c2OC(C)(C)C3)CC(C)(C)[NH2+]1,C08236486_decoy,HS90A,Decoy,0.0,-8.46346,-5.58,-0.85,-5.390529567268995
CCN(CC)C(=O)N[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2[NH+](C)C1,C04245704_decoy,HS90A,Decoy,0.0,-7.64724,-5.52,-1.32,-5.47678019647426
CC1(C)CC(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC(C)(C)[NH2+]1,C10404924_decoy,HS90A,Decoy,0.0,-8.35579,-5.63,-2.12,-5.849712117818744
O=C(C[NH+]1CCC[C@H](C(F)(F)F)C1)NC(=O)Nc1ccccc1,C15443960_decoy,HS90A,Decoy,0.0,-6.44189,-5.88,-3.14,-3.771402526936944
CCOc1ccc2ccccc2c1[C@@H]1NC(=O)c2c(sc3c2CC[NH+](C)C3)N1,C20080726_decoy,HS90A,Decoy,0.0,-8.3515,-5.68,-1.29,-5.074236318486484
C[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccccc2F)C1,C20927360_decoy,HS90A,Decoy,0.0,-10.2558,-5.01,-1.56,-5.909101292017637
Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2nc3n(c2n1)CCCCC3,C29600698_decoy,HS90A,Decoy,0.0,-9.42228,-8.69,-0.83,-7.820651372838676
C[NH+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2cccc([N+](=O)[O-])c2)N3)C1,C33403563_decoy,HS90A,Decoy,0.0,-9.32966,-5.71,-1.49,-6.985217399239384
O=C(NCc1ccccc1)[C@@H]1C[C@@H]2CCC[NH+]2[C@]12C(=O)Nc1ccccc12,C35310556_decoy,HS90A,Decoy,0.0,-7.09177,-6.33,-1.18,-5.613440702964344
O=C(NCc1ccccc1)[C@H]1C[C@@H]2CCC[NH+]2[C@]12C(=O)Nc1ccccc12,C35310557_decoy,HS90A,Decoy,0.0,-6.72688,-6.7,-1.23,-5.377013329253749
CC(C)CNC(=O)[C@H]1CSC2(CCN(C(=O)C3CCCCC3)CC2)[NH2+]1,C35380972_decoy,HS90A,Decoy,0.0,-9.5591,-5.56,-1.34,-5.810012704069705
Cc1cc[nH+]c(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1,C00086350_decoy,HS90A,Decoy,0.0,-8.77166,-9.46,-2.05,-8.761268884740783
Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)c(C[NH+]3CCCCCC3)n2c1,C36274009_decoy,HS90A,Decoy,0.0,-8.62249,-8.45,-0.69,-9.44710487675093
COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[NH+]3C[C@@H]2CC[C@@H]1O,C03860825_decoy,HS90A,Decoy,0.0,-8.86564,-6.02,-0.54,-5.02664497946524
C[C@@H]1C=C(c2csc(NC3CCCCC3)[nH+]2)[C@H](C)N1c1ncn[nH]1,C39438968_decoy,HS90A,Decoy,0.0,-10.2279,-9.44,-0.11,-10.540020236774138
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1[C@H]1C=c2ccc(C)c(C)c2=[NH+]C1=O,C39724550_decoy,HS90A,Decoy,0.0,-7.6697,-5.44,-1.1,-4.181446104701268
N#C/C(=C\C1=c2ccccc2=[NH+]C1)C(=O)N[C@@H]1Nc2ccccc2S1,C39978344_decoy,HS90A,Decoy,0.0,-9.23821,-7.48,-2.72,-5.77692854629473
O=C1N/C(=N/c2cccc(O)c2)S/C1=C/C1=c2ccccc2=[NH+]C1,C39984778_decoy,HS90A,Decoy,0.0,-8.16646,-8.25,0.2,-5.832522628928063
CCC1CCC([NH3+])(c2noc(-c3ccc(Br)o3)n2)CC1,C41155713_decoy,HS90A,Decoy,0.0,-8.70182,-7.68,-0.08,-5.300217478733226
O=C(C[C@@H]1CCC[NH2+]1)Nc1c(Cl)cc(Cl)c2nsnc12,C42167455_decoy,HS90A,Decoy,0.0,-9.33297,-8.09,-0.42,-6.961288932980851
CN(Cc1ccc(C#N)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,C46890257_decoy,HS90A,Decoy,0.0,-7.77317,-6.91,-2.35,-7.077269514115708
O=C(Nc1cccc2cnccc12)NC1CC[NH+](Cc2ccccc2F)CC1,C47325294_decoy,HS90A,Decoy,0.0,-8.16176,-6.59,-4.3,-6.445279104428522
C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1,C50163926_decoy,HS90A,Decoy,0.0,-8.12855,-7.2,0.18,-7.207902401543503
CC(C)(C)[C@H]1CCc2c(sc3c2N/C(=C2\N=C[NH+]=N2)NC3=O)C1,C53851329_decoy,HS90A,Decoy,0.0,-7.75886,-7.28,-0.76,-6.41396090955696
Cc1ccc([C@]2(C)NC(=O)N(CC[C@H]3CCCC[NH2+]3)C2=O)cc1C,C57848548_decoy,HS90A,Decoy,0.0,-7.14893,-8.59,-0.66,-7.929458682523095
CC1=[NH+]C2=[NH+]C(C(=O)[O-])=C[C@H](c3cccc(Oc4ccccc4)c3)N2N1,C19962487_decoy,HS90A,Decoy,0.0,-7.72656,-9.27,-0.23,-11.911065978736328
C[NH+]1CCC(NC(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1,C62474637_decoy,HS90A,Decoy,0.0,-9.02555,-5.71,-1.66,-6.347188422979947
CC[C@@H](c1c([N+](=O)[O-])cnc2ccc(Br)cc12)[C@@H](C)[NH3+],C63035102_decoy,HS90A,Decoy,0.0,-6.72812,-4.96,-0.23,-3.6973239183401865
Cc1[nH]n([C@H]2Nc3ccccc3S2)c(=O)c1/C=[NH+]/C1CCCCC1,C39252968_decoy,HS90A,Decoy,0.0,-9.43177,-5.02,-2.25,-4.880489595347179
O=C(CC1=c2ccccc2=[NH+]C1)NNC(=O)c1cccc(Cl)c1,C63786869_decoy,HS90A,Decoy,0.0,-7.97481,-9.4,-2.02,-8.33390196047944
CC1=C(C(=O)Nc2nc(C3=c4ccccc4=[NH+][C@@H]3C)cs2)[C@H](C)ON1,C63855193_decoy,HS90A,Decoy,0.0,-9.18293,-7.73,-3.11,-7.323433408023102
CC1=C(C(=O)Nc2nc(C3=c4ccccc4=[NH+]C3)cs2)[C@@H](C)ON1,C64705405_decoy,HS90A,Decoy,0.0,-5.81663,-5.57,-1.4,-3.81724078729391
O=C(NC1CCCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1,C65256250_decoy,HS90A,Decoy,0.0,-9.24174,-7.88,-0.65,-6.632812770346248
O=C(c1cnccn1)N1CCC[C@]2(C1)Nc1ccccc1N/C2=[NH+]\C1CCCC1,C65259970_decoy,HS90A,Decoy,0.0,-9.48436,-5.02,-0.88,-6.226107847091215
CCCS(=O)(=O)N1CC[C@@]2(C1)NCc1ccccc1N/C2=[NH+]\C(C)(C)C,C65266036_decoy,HS90A,Decoy,0.0,-8.27057,-5.26,-1.32,-5.051196697451923
CCc1[nH]c([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)c(C)[nH+]1,C65394079_decoy,HS90A,Decoy,0.0,-8.56788,-6.74,-0.39,-7.179742417376014
Cc1ccc(NC(=O)C2CC[NH+](CC3(O)CCCCC3)CC2)nc1,C65511353_decoy,HS90A,Decoy,0.0,-9.42842,-7.14,-0.89,-6.357727654929562
COc1cc(Br)cc(C)c1NC(=O)NC1CC[NH+](C2CC2)CC1,C65786237_decoy,HS90A,Decoy,0.0,-8.49966,-4.95,-1.07,-4.622798768789486
C[C@H]1CCC[C@@](CNC(=O)Nc2cccnc2Cl)([NH+](C)C)C1,C65818832_decoy,HS90A,Decoy,0.0,-7.56636,-4.76,-1.24,-5.540195991105554
CC1(C)CC(Nc2nc(-c3ccncc3)nc3c2CCC3)CC(C)(C)[NH2+]1,C66797610_decoy,HS90A,Decoy,0.0,-9.94553,-9.04,-1.9,-8.685800134364529
Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nnn1-c1cccc2cccnc12,C67134656_decoy,HS90A,Decoy,0.0,-7.33479,-7.84,-2.35,-6.516674606760601
O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[NH+](Cc1cccnc1)C2,C67401472_decoy,HS90A,Decoy,0.0,-8.99915,-8.64,-5.32,-8.198927953239963
Cc1cc(Br)cc(/C=N/NC(=O)OC(C)(C)C)c1O,C00507563_decoy,HS90A,Decoy,0.0,-7.0947,-6.94,-1.44,-5.356169801096136
Cc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)C(C)(C)C)c1O,C00279577_decoy,HS90A,Decoy,0.0,-6.07548,-7.63,-2.07,-9.087786263922675
CC(C)(C)c1cc(NC(=O)Nc2ccccc2C(F)(F)F)no1,C00621249_decoy,HS90A,Decoy,0.0,-5.35438,-5.98,-1.74,-4.564061485419046
Cc1cc(SCC(=O)NC(=O)NC(C)(C)C)nc2c(C)cccc12,C03381766_decoy,HS90A,Decoy,0.0,-8.71115,-9.2,-2.33,-8.093939134868103
CCSc1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1,C05673890_decoy,HS90A,Decoy,0.0,-8.94751,-4.5,-5.13,-4.257452986790709
C[C@H]1CCC[C@H]2C1=NN(C(=O)c1ccccc1O)[C@]2(O)C(F)(F)F,C06525616_decoy,HS90A,Decoy,0.0,-5.72768,-5.56,-0.47,-4.5235754942884645
C[C@@H]1[C@H](C)CCC[C@@H]1Nc1c(-c2ccc(F)cc2)[nH]c2c(C#N)cnn12,C06768752_decoy,HS90A,Decoy,0.0,-9.04864,-5.13,-0.58,-5.484102078830989
CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccccc1,C00850727_decoy,HS90A,Decoy,0.0,-8.71523,-3.93,-2.04,-5.521590331325153
CSc1nc(NCc2ccc(Cl)cc2)c2nc(C)[nH]c2n1,C01845563_decoy,HS90A,Decoy,0.0,-9.6732,-7.77,-0.0,-7.043531132474686
Cc1ccccc1-n1ncc([C@@H](C)NC(=O)Nc2ccccc2F)c1C,C12373661_decoy,HS90A,Decoy,0.0,-7.00187,-9.97,-2.56,-6.959608158153772
Cc1ccccc1-n1ncc([C@H](C)NC(=O)Nc2ccccc2F)c1C,C12373662_decoy,HS90A,Decoy,0.0,-8.04621,-9.79,-1.77,-6.74757717836262
Cc1cccc(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1,C12563314_decoy,HS90A,Decoy,0.0,-9.39506,-5.76,-0.68,-4.844168292815239
O=[N+]([O-])c1cc(O)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2,C14549633_decoy,HS90A,Decoy,0.0,-7.68193,-5.27,-0.74,-4.663572712575748
CCc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1,C14709990_decoy,HS90A,Decoy,0.0,-8.45104,-7.26,-2.77,-6.148941010184884
Oc1ccc(-c2nc3cnccn3c2NC2CCCCCC2)cc1,C15414470_decoy,HS90A,Decoy,0.0,-8.61859,-8.91,-0.62,-10.587696389233
Cc1cccc(NC(=O)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)c1,C06628551_decoy,HS90A,Decoy,0.0,-9.42383,-6.88,-1.37,-5.873822308543796
Cc1ccccc1-c1nnc(NC(=O)Nc2ccccc2F)s1,C13550365_decoy,HS90A,Decoy,0.0,-9.12277,-7.96,-1.61,-5.893571065746989
Cc1ccsc1[C@@H]1Nc2c(O)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21,C20687723_decoy,HS90A,Decoy,0.0,-7.99031,-7.3,-0.27,-6.211968197463881
Cc1ccc([C@H]2Nc3c(O)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]23)s1,C20689062_decoy,HS90A,Decoy,0.0,-8.38365,-5.42,-0.15,-4.964930810223402
Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1O)N2,C20709168_decoy,HS90A,Decoy,0.0,-8.04931,-10.79,-0.65,-19.993783700796072
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(F)cc2)o1,C28422580_decoy,HS90A,Decoy,0.0,-7.21656,-8.43,-0.79,-8.469066967187073
Cc1cccc(N[C@@H]2CCc3c2[nH]c(=O)n(C2CCCCC2)c3=O)c1C,C32603985_decoy,HS90A,Decoy,0.0,-6.15087,-9.43,-2.63,-6.7724970870453
CC(C)(C)c1cc([C@@]2(O)CN=C3COCCN32)cc(C(C)(C)C)c1O,C33621743_decoy,HS90A,Decoy,0.0,-8.22211,-7.2,-1.84,-6.990370349820525
Nc1c(N=O)c(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1,C35932538_decoy,HS90A,Decoy,0.0,-8.49714,-7.67,-0.6,-6.696464761118579
CC(C)(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2O)cc1,C02351125_decoy,HS90A,Decoy,0.0,-9.33823,-9.6,-2.43,-9.91673290691555
CC(C)c1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1CC=C[C@H]21,C14476087_decoy,HS90A,Decoy,0.0,-8.61447,-5.6,-2.6,-6.102265648657914
Cc1cccc([C@H]2Nc3c(O)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)c1,C14479913_decoy,HS90A,Decoy,0.0,-7.42691,-10.0,-0.11,-7.491188576821963
O=C(Nc1nnc(CC2=CCCCC2)s1)Nc1ccccc1F,C00552399_decoy,HS90A,Decoy,0.0,-8.51448,-4.79,-1.01,-4.685898896962267
Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCC2CCCCC2)cc1,C01359131_decoy,HS90A,Decoy,0.0,-8.43117,-9.79,-2.84,-9.768218010155184
O=C(Nc1nnc(-c2ccccc2F)s1)Nc1ccccc1F,C09300610_decoy,HS90A,Decoy,0.0,-9.21914,-5.99,-1.34,-5.107799361769858
Cc1ccc(NC(=O)Cc2cc(C(=O)[O-])c3ccccc3[nH+]2)c(C)c1,C19973430_decoy,HS90A,Decoy,0.0,-7.57061,-6.25,-1.51,-4.806397762033669
O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)Nc1ccccc1F,C38694135_decoy,HS90A,Decoy,0.0,-7.19322,-5.93,-0.49,-5.695422573184616
CC(C)(C)C1=NN=C2OC(N)=C(C#N)[C@@H](/C=C/c3ccccc3)[C@H]21,C05839009_decoy,HS90A,Decoy,0.0,-8.03418,-9.6,0.56,-15.829868087605009
CC(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)N[C@H]3N=NC(O)=C23)cc1,C39358750_decoy,HS90A,Decoy,0.0,-10.0319,-5.41,-0.91,-5.764387955325763
Cc1nn(-c2ccccc2S(=O)(=O)C(F)(F)F)c(C)c1N,C40516510_decoy,HS90A,Decoy,0.0,-6.22201,-7.95,-1.08,-9.947859596547293
O=C(NC[C@H]1COc2ccccc2C1)Nc1ccccc1N1CCCC1,C43485656_decoy,HS90A,Decoy,0.0,-8.22269,-5.1,0.04,-5.197426180837892
CC(C)(C)C(=O)Nc1cccc(NC(=O)N2CCCCCC2)c1,C44013093_decoy,HS90A,Decoy,0.0,-8.34131,-8.62,-1.05,-7.451683569762262
O=c1cc(Nc2ccc(Cl)cc2F)[nH]c(=O)n1C1CCCCC1,C44023306_decoy,HS90A,Decoy,0.0,-8.28195,-5.29,-0.67,-4.546674828791248
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1cccc(C)c1,C04413326_decoy,HS90A,Decoy,0.0,-8.64342,-10.22,-0.9,-7.769853547230335
O=C(NC[C@H]1Cc2ccccc2O1)Nc1cccc(N2CCCCC2)c1,C56645988_decoy,HS90A,Decoy,0.0,-9.28124,-5.22,-0.68,-5.7253805960870086
O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(N2CCCCC2)c1,C56645989_decoy,HS90A,Decoy,0.0,-8.76586,-5.09,-3.57,-5.325568720594987
C[C@@H]1CCCC[C@@H]1N1CN=C(Nc2nc3ccccc3s2)NC1,C09011902_decoy,HS90A,Decoy,0.0,-8.20665,-5.22,-2.66,-3.693130892166701
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCc2ccccc21,C58029086_decoy,HS90A,Decoy,0.0,-8.72513,-8.5,-2.86,-9.519259717592828
O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc(N2CCCCC2)cc1,C58844322_decoy,HS90A,Decoy,0.0,-9.6747,-5.58,-2.81,-5.61875250468034
Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccccc2)cc1,C59249767_decoy,HS90A,Decoy,0.0,-7.78172,-10.39,-1.59,-8.155372303311104
Cc1ccc(NC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1,C59678703_decoy,HS90A,Decoy,0.0,-8.35373,-9.99,-1.1,-7.44085495030954
CCC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)NC)ccc2C)CC1,C61749991_decoy,HS90A,Decoy,0.0,-7.74545,-6.27,-0.09,-5.96621479208671
O=C(NC1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1)C1CCCCC1,C62502740_decoy,HS90A,Decoy,0.0,-9.31783,-5.56,-1.88,-5.795494971463503
Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)cc1,C65302754_decoy,HS90A,Decoy,0.0,-8.04359,-5.16,-2.59,-4.690607427746047
NC(=O)[C@@H]1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)C1,C52393919_decoy,HS90A,Decoy,0.0,-6.45196,-8.04,-1.48,-7.388838082909466
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O,C04285168_decoy,HS90A,Decoy,0.0,-8.17529,-6.49,-1.52,-5.907517308735746
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1,C04304880_decoy,HS90A,Decoy,0.0,-8.71076,-7.73,-1.25,-7.095859108662928
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cccc(Cl)c1,C03392890_decoy,HS90A,Decoy,0.0,-7.64582,-7.58,-2.24,-8.07949329855669
C=C(C)CSc1nnc2c3c4c(sc3nc(N)n12)COC(C)(C)C4,C02386600_decoy,HS90A,Decoy,0.0,-9.40987,-7.22,-0.24,-7.570473426216338
O=C1c2ccccc2C(=O)c2c(NC(=O)C3CC3)ccc(NC(=O)C3CC3)c21,C06005524_decoy,HS90A,Decoy,0.0,-9.88199,-5.92,-0.96,-6.3549205042886445
Cc1cc2c(cc1S(=O)(=O)Nc1c(C)cccc1C(C)C)OCC(=O)N2,C06778815_decoy,HS90A,Decoy,0.0,-8.49215,-7.93,-2.55,-8.070296768056034
CCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccccc4N)ccc1c23,C11616107_decoy,HS90A,Decoy,0.0,-8.03995,-9.94,-2.2,-11.490680419936416
CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1,C04861790_decoy,HS90A,Decoy,0.0,-8.20966,-10.22,-0.56,-10.91415672642431
O=C1COc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2N1,C14137385_decoy,HS90A,Decoy,0.0,-8.68024,-10.47,-1.16,-8.567295734395266
O=C(NCCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,C14228873_decoy,HS90A,Decoy,0.0,-8.80387,-6.01,-0.51,-5.6842321614454585
Cc1cc(Br)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1,C18180815_decoy,HS90A,Decoy,0.0,-8.25016,-5.78,-1.51,-4.983287605726823
O=c1ccc(-c2ccc(S(=O)(=O)NC3CCCCCCC3)s2)n[nH]1,C20574709_decoy,HS90A,Decoy,0.0,-8.43685,-8.19,-0.86,-7.414526915518204
C[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Br)c1,C24688614_decoy,HS90A,Decoy,0.0,-7.48617,-9.07,-1.56,-7.317185964031388
O=C(NCc1ccc(Br)s1)Nc1cccc([N+](=O)[O-])c1,C24744686_decoy,HS90A,Decoy,0.0,-7.69667,-8.45,-2.61,-7.284228009386814
Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)c(C)c1,C29402624_decoy,HS90A,Decoy,0.0,-7.31305,-8.68,-1.08,-8.382685964055048
O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Nc2ccccc21,C28510814_decoy,HS90A,Decoy,0.0,-8.57774,-10.72,-1.89,-13.265552699074451
O=C(NCc1ccccn1)C(=O)NN=C1CCCCCCCCCCC1,C04797583_decoy,HS90A,Decoy,0.0,-8.88474,-6.74,-3.8,-5.779986507181407
Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1,C03505349_decoy,HS90A,Decoy,0.0,-7.88143,-6.49,-1.56,-7.850773237449515
C=CCNC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C,C38942776_decoy,HS90A,Decoy,0.0,-6.95975,-7.14,-2.94,-4.909974893675354
CC1=C2[C@@H](c3ccccc3OCc3ccc(C)cc3)C(C#N)=C(N)O[C@H]2N=N1,C38984320_decoy,HS90A,Decoy,0.0,-8.4283,-11.09,-0.73,-17.002799497351614
C[C@@H]1CCC/C(=N\NC(=O)c2ccc(C(=O)N/N=C3\CCC[C@H](C)C3)cc2)C1,C17078146_decoy,HS90A,Decoy,0.0,-9.6247,-6.17,-4.09,-5.914751368028866
COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)[C@H](O)CC(C)(C)C2,C39855498_decoy,HS90A,Decoy,0.0,-8.03963,-6.06,-0.71,-5.445002031737613
Cc1cccc(N2CCN(C(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)c1,C44102337_decoy,HS90A,Decoy,0.0,-9.31561,-6.0,-2.94,-6.075059451660338
Cc1cc(N)nc(S[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)n1,C45103401_decoy,HS90A,Decoy,0.0,-9.16758,-7.46,-1.98,-6.2146452297764005
CCc1ccccc1NC(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1,C47351938_decoy,HS90A,Decoy,0.0,-8.56485,-6.82,-2.06,-7.328847711346229
COC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1,C47584323_decoy,HS90A,Decoy,0.0,-8.03452,-4.76,-2.39,-5.49242823272318
O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCc3ccccc32)=N1,C02347531_decoy,HS90A,Decoy,0.0,-9.67359,-9.07,-1.3,-7.375738606611979
O=C(NCCc1nccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2,C51587285_decoy,HS90A,Decoy,0.0,-9.48176,-6.81,-0.58,-6.241048347426773
O=C(NC[C@H]1COc2ccccc2C1)Nc1nnc(-c2ccsc2)s1,C52496663_decoy,HS90A,Decoy,0.0,-10.7293,-6.45,-1.64,-6.077069607354785
CC(C)[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2C(C)(C)C)C1=O,C54227198_decoy,HS90A,Decoy,0.0,-7.61704,-6.78,-0.55,-6.791148564766049
C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1,C10370818_decoy,HS90A,Decoy,0.0,-9.63924,-8.71,-4.47,-6.861975440722514
CNS(=O)(=O)c1ccc(C)c(NC(=O)c2oc3c(C)cccc3c2C)c1,C55997838_decoy,HS90A,Decoy,0.0,-8.70934,-5.87,-1.6,-5.655180377513429
O=C(Nc1nccs1)[C@H]1CCCN(C(=O)NC2CCCCCCC2)C1,C56781532_decoy,HS90A,Decoy,0.0,-9.16128,-5.33,-4.93,-5.361592655359116
Cc1cccc(-c2cc3n[nH]c(=O)n3c(Nc3c(F)cccc3F)n2)c1,C57343853_decoy,HS90A,Decoy,0.0,-8.46203,-9.04,-0.58,-7.400082890657238
Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1,C57467348_decoy,HS90A,Decoy,0.0,-9.05418,-8.76,-3.41,-7.777760549061624
c1ccc2[nH]c(CSc3nnc(-c4c[nH]c5ccccc45)o3)nc2c1,C58179268_decoy,HS90A,Decoy,0.0,-9.1965,-10.88,-0.59,-7.300855161706078
O=C(NCCc1c(F)cccc1F)c1cc2cc([N+](=O)[O-])ccc2[nH]1,C58489552_decoy,HS90A,Decoy,0.0,-6.05733,-10.42,-1.16,-6.231262532903336
Cc1cc(C)cc(OCC(=O)N/N=C2/C(=O)Nc3c(C)cc(C)cc32)c1,C59147148_decoy,HS90A,Decoy,0.0,-8.45459,-9.98,-0.92,-11.175266732177494
Cc1ccc(S(=O)(=O)NNC(=O)c2oc3ccc(C)cc3c2C)cc1,C59400035_decoy,HS90A,Decoy,0.0,-8.68884,-10.81,-0.24,-8.114321940196271
O=C(Nc1ccccc1N1CCc2ccccc21)c1n[nH]c(=O)c2ccccc12,C59849903_decoy,HS90A,Decoy,0.0,-9.00799,-11.35,-1.43,-10.088269212502544
Cc1cccc(NC(=O)CN2CCN(C(=O)Nc3ccccc3F)CC2)c1C,C28802050_decoy,HS90A,Decoy,0.0,-8.85219,-7.82,-2.83,-5.766376447822446
Cc1cccc(Nc2nc(C(=O)Nc3cccc4ncccc34)cs2)n1,C62162757_decoy,HS90A,Decoy,0.0,-10.078,-9.11,-0.66,-7.864525712857812
O=C1N=C(NC2CCCC2)S/C1=C\c1cn[nH]c1-c1cc2ccccc2o1,C63277049_decoy,HS90A,Decoy,0.0,-10.5091,-8.1,0.41,-10.65606115690968
CCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=NN=C(c3ccc(C)cc3)[C@H]21,C00985599_decoy,HS90A,Decoy,0.0,-6.4067,-6.4,-2.06,-5.360595231349653
CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21,C46010062_decoy,HS90A,Decoy,0.0,-4.13349,-6.43,-3.11,-3.955267851286088
C=CCn1c(=O)oc2cc(NC(=O)Nc3ccc4c(c3)CCC4)ccc21,C46010724_decoy,HS90A,Decoy,0.0,-8.37086,-5.5,-2.03,-4.854561400668567
Cc1c([C@H](C)NC(=O)N2CCC(NC(=O)C3CCC3)CC2)oc2ccccc12,C66121035_decoy,HS90A,Decoy,0.0,-9.22383,-5.67,-2.06,-5.009888943093598
O=C1NCCN1c1cccc(Nc2nc(C(F)F)nc3ccccc23)c1,C66453731_decoy,HS90A,Decoy,0.0,-8.27893,-9.55,-0.67,-10.607402440995868
N#Cc1ccc(NC(=O)N2CCC(NC(=O)CC3CCCCC3)CC2)cc1,C66907621_decoy,HS90A,Decoy,0.0,-9.68279,-5.74,-4.2,-5.601324101747707
C[C@H]1CN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)C[C@@H](c2ccccc2)O1,C67563982_decoy,HS90A,Decoy,0.0,-8.66196,-9.63,-0.3,-9.694424009240358
CCCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)cc1,C04308062_decoy,HS90A,Decoy,0.0,-9.53428,-9.01,-2.6,-9.718080165941148
C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1,C05216481_decoy,HS90A,Decoy,0.0,-7.69902,-8.58,-4.33,-9.559620137479271
CCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)N[C@H]1c1ccccc1,C05402854_decoy,HS90A,Decoy,0.0,-9.47049,-8.18,-1.35,-9.21581812686328
Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c(C)c1,C01904214_decoy,HS90A,Decoy,0.0,-10.3022,-10.23,-4.35,-8.544107529472623
CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)OC)cc3)C2=O)cc1,C07125703_decoy,HS90A,Decoy,0.0,-7.51778,-8.76,-0.77,-6.69446440538764
CCCc1ccc([C@]2(C)NC(=O)N([C@@H](C)C(=O)c3[nH]c(C)c(C(=O)OCC)c3C)C2=O)cc1,C08965929_decoy,HS90A,Decoy,0.0,-9.13225,-10.28,-3.55,-10.851229518241109
CCCc1ccc([C@]2(C)NC(=O)N([C@H](C)C(=O)c3[nH]c(C)c(C(=O)OCC)c3C)C2=O)cc1,C08965931_decoy,HS90A,Decoy,0.0,-7.74122,-7.29,-2.86,-6.75376111024876
Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C09128046_decoy,HS90A,Decoy,0.0,-4.57835,-8.97,-1.47,-6.319340272337112
CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(OCc2ccccc2)c(OC)c1)c1ccccc1,C09180701_decoy,HS90A,Decoy,0.0,-9.76796,-11.09,-1.71,-12.81192755603945
CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)C1=O,C10166695_decoy,HS90A,Decoy,0.0,-8.72735,-9.03,-1.24,-14.606318269037953
C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nc2c([nH]c3ccccc32)c1=O,C10245364_decoy,HS90A,Decoy,0.0,-11.2346,-9.68,-1.64,-9.023484481644068
CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1cccs1,C10390741_decoy,HS90A,Decoy,0.0,-10.492,-8.03,-0.64,-12.955967938795345
COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1OC,C11172688_decoy,HS90A,Decoy,0.0,-9.09746,-8.09,-3.88,-8.809094658993727
CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2F)[nH]c1=O,C11855136_decoy,HS90A,Decoy,0.0,-10.2124,-9.08,-2.58,-9.485105208277895
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc(Br)cc1,C12522942_decoy,HS90A,Decoy,0.0,-9.45545,-7.93,-3.86,-8.368607515095595
O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)N1CCNC1=O,C09111804_decoy,HS90A,Decoy,0.0,-8.90027,-9.67,-3.61,-11.817968872468851
CC1CC[NH+](CCCNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1,C13212924_decoy,HS90A,Decoy,0.0,-6.54624,-9.61,-2.71,-6.529210822464428
CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1,C13960872_decoy,HS90A,Decoy,0.0,-9.04366,-8.12,-1.14,-9.148652204367917
COC(=O)c1c(NC(C)=O)c2cc(N[C@@H]3CCCC(C)(C)C3)cnc2n1C[C@@H]1CCCO1,C14538956_decoy,HS90A,Decoy,0.0,-9.85206,-8.13,-1.51,-8.118609068147839
CNc1snc(C)c1C(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1,C16553892_decoy,HS90A,Decoy,0.0,-9.84486,-7.22,-1.08,-8.368338272216093
Cc1cc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1Cc1ccco1,C17601240_decoy,HS90A,Decoy,0.0,-9.22104,-9.73,-2.23,-9.280140428405057
CCOC(=O)C1=C(COC(=O)c2ccc(C(F)(F)F)cc2)NC(=O)N[C@H]1c1ccco1,C18187111_decoy,HS90A,Decoy,0.0,-8.22483,-9.12,-2.8,-9.625528689326163
CCCn1c(O)nnc1S[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2,C03533772_decoy,HS90A,Decoy,0.0,-9.29199,-8.12,-1.11,-10.894100389159254
CNc1nnc(SCC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C2CC2)s1,C25460536_decoy,HS90A,Decoy,0.0,-8.59773,-6.11,-2.43,-7.04368961183523
O=C(NC1CC1)c1cc(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc12,C26226757_decoy,HS90A,Decoy,0.0,-9.56329,-10.37,-2.3,-10.883288153275505
COC(=O)c1cccc(N/C(=N\C(=O)c2cc(C)cc(C)c2)NCc2c(C)nn(C)c2C)c1,C32972564_decoy,HS90A,Decoy,0.0,-9.48121,-9.41,-2.93,-8.970157922824464
CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@@H](c2ccc(OC)c(OC)c2)C1,C34710670_decoy,HS90A,Decoy,0.0,-9.38108,-7.66,-2.3,-8.86536493787952
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Nc2ccccc2OC)C1,C34951024_decoy,HS90A,Decoy,0.0,-8.64258,-8.88,-4.13,-9.375064305588968
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccccc1,C34969763_decoy,HS90A,Decoy,0.0,-8.06335,-8.95,-1.2,-9.67969824316911
CC(C)(C)NC(=O)[C@@H](c1cccc(O)c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1,C36492578_decoy,HS90A,Decoy,0.0,-8.24959,-5.24,-1.11,-6.193591226373579
CCCn1c(S[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)nnc1-c1ccncc1,C36692969_decoy,HS90A,Decoy,0.0,-9.93785,-7.61,-2.54,-6.8345827787543065
COC(=O)c1cccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1,C36851971_decoy,HS90A,Decoy,0.0,-7.40497,-6.47,-1.2,-6.190727776414414
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(C)cc2)cc(OC)c1OC,C00844561_decoy,HS90A,Decoy,0.0,-8.35995,-8.53,-1.72,-9.30980850303276
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1,C38668167_decoy,HS90A,Decoy,0.0,-8.46587,-9.57,-3.41,-7.20033794927056
CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3C)ccc21,C38745462_decoy,HS90A,Decoy,0.0,-8.17503,-9.71,-2.19,-7.227332528445682
CN(C)c1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,C00721765_decoy,HS90A,Decoy,0.0,-9.01466,-7.82,-4.94,-7.713911266744251
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)C(C)C)cc1,C39211256_decoy,HS90A,Decoy,0.0,-8.44146,-9.04,-0.26,-9.036256256115584
Cc1oc2nc(SCC(=O)N[C@@](C)(C#N)C3CC3)nc(NC(=O)c3ccccc3)c2c1C,C39553964_decoy,HS90A,Decoy,0.0,-9.47527,-8.79,-1.72,-9.867976994576694
CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(Br)o2)sc(C(C)=O)c1C,C40847044_decoy,HS90A,Decoy,0.0,-10.0448,-7.82,-0.93,-9.014125366763183
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OCC)=C(C)Nc3ncnn32)cc1,C41021890_decoy,HS90A,Decoy,0.0,-9.93869,-8.6,-0.29,-9.943443263995922
CCOC(=O)C1=C(COC(=O)C2=Cc3ccccc3OC2)NC(=O)N[C@@H]1c1ccccc1,C45631907_decoy,HS90A,Decoy,0.0,-8.67947,-5.56,-1.03,-5.723279966289664
O=C(CCc1cccc(F)c1)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1,C45874154_decoy,HS90A,Decoy,0.0,-9.61691,-11.92,-3.03,-9.75004656502444
Cc1cc(C)nc(N/C(=N\C(=O)c2ccc(C(C)(C)C)cc2)[N-]CCc2c[nH]cn2)n1,C04818560_decoy,HS90A,Decoy,0.0,-9.1878,-8.77,-2.3,-9.421360984587247
CCOC(=O)c1c(NC(=O)CN2C(=O)NC(CC)(CC)C2=O)sc2c1CC[C@H](C)C2,C57497446_decoy,HS90A,Decoy,0.0,-9.51901,-8.99,-2.68,-13.707806031816098
CCOC(=O)c1cc2cc(NC(=O)N3CCN(CC(=O)N[C@H](C)CC)CC3)ccc2s1,C59041424_decoy,HS90A,Decoy,0.0,-11.8913,-6.63,-3.17,-8.317628675119458
O=C(COc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1)Nc1ccccc1,C59777964_decoy,HS90A,Decoy,0.0,-8.57285,-11.0,-3.97,-13.894391929315558
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1C,C60142612_decoy,HS90A,Decoy,0.0,-8.78352,-8.55,-3.96,-8.610801256605331
CCOC(=O)N1CCN(/C(Nc2ccc(C(=O)[O-])cc2)=[NH+]\Cc2ccc(C)cc2)CC1,C63668516_decoy,HS90A,Decoy,0.0,-8.59453,-5.51,-1.3,-5.510447940445022
CCOC(=O)CC1=NN=C2OC(N)=C(C#N)[C@@H](c3ccc(F)c(Oc4ccccc4)c3)[C@H]12,C04010294_decoy,HS90A,Decoy,0.0,-8.84195,-8.17,-0.08,-8.009290419504604
CCC[NH+]1CCc2nc(SCC(=O)Nc3ccc(C(=O)OCC)cc3)nc([O-])c2C1,C67291717_decoy,HS90A,Decoy,0.0,-10.2881,-8.97,-1.54,-10.493011815878818
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1=O,C08644237_decoy,HS90A,Decoy,0.0,-8.823,-8.66,-1.75,-7.927154405395744
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N2,C08768863_decoy,HS90A,Decoy,0.0,-10.0509,-5.14,-1.33,-6.57278468061268
Cc1cccc(NC(=O)CSc2nc3nccnc3c(=O)n2CCc2c[nH]c3ccccc23)c1,C09405281_decoy,HS90A,Decoy,0.0,-9.27894,-9.32,-2.35,-8.786005604921737
CCOc1ccccc1-n1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc2c1=O,C09583383_decoy,HS90A,Decoy,0.0,-8.88963,-8.59,-2.91,-8.859269378741937
COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCC(=O)Nc2cccc(F)c2)cc1OC,C10021272_decoy,HS90A,Decoy,0.0,-10.097,-9.2,-1.95,-10.821221793657584
COc1cc(NC(=O)C2CCCCC2)c(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1OC,C10022166_decoy,HS90A,Decoy,0.0,-9.58403,-8.19,-1.54,-9.075871466862695
COC(=O)Cn1cc(/C=N\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c2ccccc21,C09886599_decoy,HS90A,Decoy,0.0,-9.63839,-9.3,-1.81,-9.838738212896253
CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1,C10265860_decoy,HS90A,Decoy,0.0,-8.7543,-7.95,-0.45,-6.94110476850716
COc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C,C10897161_decoy,HS90A,Decoy,0.0,-10.6756,-10.12,-5.05,-9.557120037766946
O=C(COc1ccccc1)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1,C11855293_decoy,HS90A,Decoy,0.0,-9.11941,-9.27,-0.58,-9.332202488851689
C[NH+](C)[C@H](CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1,C13180042_decoy,HS90A,Decoy,0.0,-6.99645,-9.33,-1.66,-7.934001844921841
CC(/C=C/c1ccccc1)=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1,C13510100_decoy,HS90A,Decoy,0.0,-9.55299,-10.57,-1.31,-12.229355449761025
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC,C14269679_decoy,HS90A,Decoy,0.0,-7.98071,-8.44,-2.46,-8.022548130176569
O=C(Nc1ccccc1C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccco1,C02621760_decoy,HS90A,Decoy,0.0,-10.4263,-10.91,-2.98,-11.729730247824904
COC(=O)c1c(NC(=O)[C@H]2CCCO2)c2cc(NC(C)C)cnc2n1CCc1ccccc1,C14742431_decoy,HS90A,Decoy,0.0,-9.60227,-8.83,-3.2,-9.275778934297804
COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)c2ccccc2OC)c1,C16609560_decoy,HS90A,Decoy,0.0,-9.46889,-5.29,-2.52,-6.153803063444546
C=CCn1c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc2sc3c(c2c1=O)CC[C@@H](C)C3,C16758535_decoy,HS90A,Decoy,0.0,-8.76274,-8.52,-3.31,-9.301589345959645
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2c(OC)cccc2OC)c(C)cc1C,C00650903_decoy,HS90A,Decoy,0.0,-9.03215,-6.57,-2.17,-7.335518508704091
O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)NC(=O)NC1CCCC1,C20983430_decoy,HS90A,Decoy,0.0,-10.1733,-9.91,-2.74,-8.373167518456173
CCOC(=O)C1CCC(CNC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)CC1,C21037553_decoy,HS90A,Decoy,0.0,-9.17152,-7.26,-3.14,-6.829687681176068
CCOc1ccccc1Nc1nnc(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)s1,C21459118_decoy,HS90A,Decoy,0.0,-5.84357,-7.41,-0.34,-5.791962252937244
COC(=O)C1=C(CSc2nnc(NC3CC3)s2)N(C2CC2)C(=O)N[C@H]1c1ccccc1,C22831349_decoy,HS90A,Decoy,0.0,-10.5424,-5.66,-3.74,-6.890492481407689
C/C(=N\OCC(=O)N/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1cccs1,C23634260_decoy,HS90A,Decoy,0.0,-10.2793,-9.64,-3.67,-9.186251595969486
CCOc1ccccc1-c1nc(CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cs1,C25394194_decoy,HS90A,Decoy,0.0,-7.43671,-8.78,-2.05,-8.468944421994136
Cc1c(NCCc2ccc(NCc3cccc([N+](=O)[O-])c3)cc2)c(=O)n(-c2ccccc2)n1C,C27528638_decoy,HS90A,Decoy,0.0,-9.79519,-7.77,-2.32,-6.3837814394977626
O=C(NCCCCCc1nc(-c2cccs2)no1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1,C30558499_decoy,HS90A,Decoy,0.0,-11.2387,-10.1,-4.33,-8.788056012841949
COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C,C33170666_decoy,HS90A,Decoy,0.0,-7.96385,-9.28,-2.02,-8.348579003147028
COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1,C33170674_decoy,HS90A,Decoy,0.0,-8.85392,-9.87,-3.96,-10.69196449069467
C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)NC(=O)NC1CCCCC1,C20896531_decoy,HS90A,Decoy,0.0,-9.72696,-9.35,-1.85,-10.907474346996272
CC(C)(C)NC(=O)[C@H](c1cccc(O)c1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1,C36492579_decoy,HS90A,Decoy,0.0,-8.51383,-4.9,-2.09,-6.122774667777332
O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1,C08690141_decoy,HS90A,Decoy,0.0,-9.68195,-4.91,-3.89,-4.9298186810402695
Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccccc3NCc3ccco3)c2C)cc1,C39501595_decoy,HS90A,Decoy,0.0,-10.1059,-9.56,-2.69,-9.16184901838986
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1ccccc1C(C)(C)C)C2=O,C22000900_decoy,HS90A,Decoy,0.0,-8.51833,-9.8,-2.98,-9.480410816783348
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2,C39653562_decoy,HS90A,Decoy,0.0,-9.17594,-10.12,-1.73,-10.08887151620308
CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/N=C\C(C)=C/c3ccccc3)NC2=O)cc1,C39843467_decoy,HS90A,Decoy,0.0,-10.895,-9.09,-1.56,-7.573152329445075
CCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3ncnn32)cc1OCC,C41022420_decoy,HS90A,Decoy,0.0,-10.3241,-9.15,-1.41,-10.4105814049692
Nn1c(Cc2cccs2)nnc1S[C@H](CC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1,C45067825_decoy,HS90A,Decoy,0.0,-10.0219,-7.89,-1.18,-8.479662417245464
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1,C09971833_decoy,HS90A,Decoy,0.0,-9.28817,-6.86,-0.21,-7.683763331788203
COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccccc1,C00991572_decoy,HS90A,Decoy,0.0,-9.39198,-8.68,-3.72,-9.46356899363119
CC[NH+](CC)c1ccc(NC(=O)Cn2nc3ccc(SC4CCCCC4)nn3c2=O)c(C)c1,C58061795_decoy,HS90A,Decoy,0.0,-10.8036,-8.78,-1.71,-8.385752203204671
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1,C58164496_decoy,HS90A,Decoy,0.0,-10.5669,-9.0,-0.95,-8.35491445606591
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1C,C18103926_decoy,HS90A,Decoy,0.0,-8.44743,-9.5,-3.37,-6.973717410793804
Cc1c(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1,C58888732_decoy,HS90A,Decoy,0.0,-10.6547,-10.36,-1.66,-9.224745914083838
O=C(CCSc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)Nc1cccc(C(F)(F)F)c1,C59793208_decoy,HS90A,Decoy,0.0,-8.54243,-9.87,-1.79,-9.373108519036483
O=C(c1ccccc1)c1ccc(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c([N+](=O)[O-])c1,C60081549_decoy,HS90A,Decoy,0.0,-8.87449,-6.25,-1.34,-5.663427501518594
COc1ccc(/C=N/NC(=O)[C@H]2[NH+]=c3ccc(C)cc3=C2c2ccccc2)c(C(=O)[O-])c1OC,C63258757_decoy,HS90A,Decoy,0.0,-6.98398,-5.67,-1.29,-5.15626628602594
Cc1cccc(-c2nc3sc(N(C)CC(=O)NC[C@@H]4CCCO4)nn3c2NC(C)(C)C)c1,C64703661_decoy,HS90A,Decoy,0.0,-11.0938,-9.66,-3.58,-10.17271275335591
Cc1cccc(-c2nc3sc(N(C)CC(=O)NC[C@H]4CCCO4)nn3c2NC(C)(C)C)c1,C64703663_decoy,HS90A,Decoy,0.0,-10.7639,-9.08,-2.74,-9.178859374442617
Cc1ccc(-c2nc3sc(N(C)CC(=O)NC[C@H]4CCCO4)nn3c2NC(C)(C)C)cc1,C64704061_decoy,HS90A,Decoy,0.0,-10.669,-5.11,-3.21,-6.380131837014437
CCOc1ccccc1CNC(=O)CN1C(=O)CN(C(=O)Nc2ccccc2)c2ccccc21,C64971404_decoy,HS90A,Decoy,0.0,-9.19273,-9.18,-2.9,-9.291189574284346
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(OCC(=O)N2CCCCC2)ccc2ccccc12,C00831443_decoy,HS90A,Decoy,0.0,-9.15528,-6.09,-0.71,-6.620004870407547
CCOCc1c(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)oc2ccccc12,C06387701_decoy,HS90A,Decoy,0.0,-10.023,-8.9,-1.11,-9.234465322673238
CCOC(=O)C1=C(Cn2cnc3scc(-c4ccccc4)c3c2=O)NC(=O)N[C@@H]1CC,C09256144_decoy,HS90A,Decoy,0.0,-8.67586,-8.49,-1.12,-10.727871219737072
C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F,C09284604_decoy,HS90A,Decoy,0.0,-8.5088,-9.31,-1.59,-9.141390328813506
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(C(=O)OC)cc2)sc2c1CCCC2,C09297999_decoy,HS90A,Decoy,0.0,-10.2461,-5.28,-4.32,-6.292708025933579
COC(=O)c1ccccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1,C09368272_decoy,HS90A,Decoy,0.0,-8.60622,-9.8,-1.55,-6.957052072985806
Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cc1NC(=O)c1ccco1,C09632958_decoy,HS90A,Decoy,0.0,-10.1576,-9.0,-2.25,-9.763929044259324
CCSc1ccccc1C(=O)Nc1cc(-c2ccco2)nn1-c1nc(CC)cc(=O)[nH]1,C12007008_decoy,HS90A,Decoy,0.0,-9.19226,-8.79,-3.04,-10.11671098263105
COc1ccc(/C=N/Nc2nc(C3=CN(C)C(=O)N[C@@H]3c3ccc(OC)cc3)cs2)cc1,C12391188_decoy,HS90A,Decoy,0.0,-9.6739,-9.1,-1.87,-8.520392902912642
CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2OC)=C(C)Nc2nc(SC)nn21,C09409667_decoy,HS90A,Decoy,0.0,-8.46092,-6.42,-2.8,-7.0173258669129766
COC(=O)c1c(NC(C)=O)c2cc(N[C@H]3CCCC(C)(C)C3)cnc2n1C[C@H]1CCCO1,C14538959_decoy,HS90A,Decoy,0.0,-8.78101,-7.32,-3.52,-8.700940809950858
CCOC(=O)C#CC(=O)Nc1ccc(Cc2ccc(NC(=O)C#CC(=O)OCC)cc2)cc1,C15778792_decoy,HS90A,Decoy,0.0,-9.71471,-4.42,-4.54,-5.596982610104874
COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)/C=C/c1ccc(C)o1,C15892272_decoy,HS90A,Decoy,0.0,-10.1125,-8.0,-2.32,-9.768965088182172
CCOc1ccc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC3)c([N+](=O)[O-])c1,C16361075_decoy,HS90A,Decoy,0.0,-8.94671,-8.09,-2.32,-6.58755199443535
COc1cc(C(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)ccc1OC(C)C,C16616226_decoy,HS90A,Decoy,0.0,-9.04748,-8.01,-1.61,-6.43181396086068
Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1,C16980818_decoy,HS90A,Decoy,0.0,-8.23546,-11.25,-2.2,-9.4573170559253
CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sccc3C(=O)OCC)C2=O)cc1,C22068688_decoy,HS90A,Decoy,0.0,-9.08346,-7.0,-0.93,-7.389443555365915
CC(C)(C)OC(=O)NC1(CNC(=O)CCn2cnc3ccccc3c2=O)CCCCCC1,C24495822_decoy,HS90A,Decoy,0.0,-9.14262,-9.52,-3.12,-8.818554252790287
Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc(NC(=O)C4CC4)cc3)c2C)cc1,C25029139_decoy,HS90A,Decoy,0.0,-10.4572,-9.8,-5.35,-9.06709126180715
O=C1/C(=C\NCCNc2ccccc2[N+](=O)[O-])C(c2ccccc2)=NN1c1ccccc1,C13149325_decoy,HS90A,Decoy,0.0,-7.21379,-9.95,-6.09,-8.972493308942992
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1,C02519985_decoy,HS90A,Decoy,0.0,-10.1599,-9.88,-1.87,-9.989261534750346
Nn1c(SCCCc2nc(-c3cccc(C(F)(F)F)c3)no2)nnc1-c1ccco1,C26009173_decoy,HS90A,Decoy,0.0,-9.11031,-9.04,-5.72,-6.98875011123429
COc1ccccc1C(=O)NC(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C,C29975936_decoy,HS90A,Decoy,0.0,-8.6502,-8.31,-2.65,-9.549868758189252
C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCCNC(=O)c3ccccc3)cc2[N+](=O)[O-])C1,C31028561_decoy,HS90A,Decoy,0.0,-7.77234,-9.73,-4.07,-6.546365831701072
COc1cc([N+](=O)[O-])ccc1NC(=O)CSCC(=O)Nc1cccc2ccccc12,C32691859_decoy,HS90A,Decoy,0.0,-10.013,-9.05,-4.09,-7.401338979255104
CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccco2)C[C@H](c2ccc(OC)c(OC)c2)C1,C34710671_decoy,HS90A,Decoy,0.0,-9.94849,-7.81,-2.15,-9.674081695481844
CCc1cccc2c(C(=O)COC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)c[nH]c12,C35337360_decoy,HS90A,Decoy,0.0,-8.34272,-10.98,-2.14,-10.913907993341006
COc1cc([C@@H]2CN(C(=O)NC(C)(C)C)C[C@H]2C(=O)NCC2CC2)cc(OC)c1OC,C36044651_decoy,HS90A,Decoy,0.0,-10.0759,-6.2,-2.28,-7.885439670853098
Cc1ccccc1OCc1nnc(SCC(=O)NC(=O)NC(C)(C)C)n1-c1ccccc1,C36812127_decoy,HS90A,Decoy,0.0,-8.27132,-9.35,-2.81,-9.066896568413044
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)sc(C)c1CC,C08939822_decoy,HS90A,Decoy,0.0,-8.70604,-8.74,-3.58,-10.825734533573394
CCn1c(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)nnc1-c1cccs1,C04400787_decoy,HS90A,Decoy,0.0,-10.7424,-9.83,-1.9,-13.505012200663494
CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1,C20213975_decoy,HS90A,Decoy,0.0,-10.183,-7.27,-2.71,-8.418159706537978
C[C@@H]1CC=C(/C=C/c2nc(SCC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)n[nH]2)O1,C38793097_decoy,HS90A,Decoy,0.0,-10.0703,-9.49,-1.35,-8.421372411568107
COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1,C39570096_decoy,HS90A,Decoy,0.0,-8.36958,-8.09,-1.54,-8.172116536184511
CCOC(=O)C1=C(COC(=O)c2ccc(N(C)C)cc2)NC(=O)N[C@H]1c1ccccc1,C39583545_decoy,HS90A,Decoy,0.0,-9.64395,-8.1,-3.24,-9.737933178387552
COCCCNc1ncnc(Nc2ccc(I)cc2)c1[N+](=O)[O-],C40624029_decoy,HS90A,Decoy,0.0,-8.84243,-7.23,-3.16,-8.48595981241524
CCCSc1nc2n(n1)[C@H](c1ccncc1)C(C(=O)Nc1ccccc1OCC)=C(C)N2,C41021619_decoy,HS90A,Decoy,0.0,-11.1246,-6.66,-3.09,-8.042373140148284
COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F,C49573602_decoy,HS90A,Decoy,0.0,-8.27221,-9.69,-3.35,-8.023401523424033
COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C(\C=O)c1nc2ccccc2o1,C16195925_decoy,HS90A,Decoy,0.0,-10.6039,-10.57,-4.45,-10.17006130341966
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cccc(OCc2cn3ccccc3n2)c1,C23567714_decoy,HS90A,Decoy,0.0,-9.26534,-10.88,-1.3,-8.942125846085887
COC(=O)c1sccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1,C58613916_decoy,HS90A,Decoy,0.0,-10.5119,-8.17,-1.74,-10.659781456398497
C[C@@H](OC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C(=O)NC(=O)NC1CCCC1,C29287150_decoy,HS90A,Decoy,0.0,-9.36477,-10.65,-3.11,-11.350867894906983
Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1,C58887845_decoy,HS90A,Decoy,0.0,-9.23131,-9.66,-2.28,-8.086577974561923
O=C(CCCO)N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1,C59392347_decoy,HS90A,Decoy,0.0,-10.4948,-9.25,-1.46,-9.06677826220758
C=CCSc1ccccc1NC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1,C59788248_decoy,HS90A,Decoy,0.0,-9.44394,-9.07,-1.87,-8.595695271541679
CC(C)c1ccc(-c2nc(C(=O)NCC(=O)Nc3ccc(-n4cncn4)cc3)cs2)cc1,C60362266_decoy,HS90A,Decoy,0.0,-10.7878,-9.78,-3.75,-9.27284737438234
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCNc1ccccc1,C60362873_decoy,HS90A,Decoy,0.0,-9.46743,-7.1,-1.78,-7.331339216117354
CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)sc2c1CC[C@@H](C)C2,C09537398_decoy,HS90A,Decoy,0.0,-9.43388,-8.13,-1.53,-8.476387126844964
CN(CC(=O)NC[C@@H]1CCCO1)c1nn2c(NC(C)(C)C)c(-c3ccccc3)nc2s1,C64704384_decoy,HS90A,Decoy,0.0,-10.3633,-9.09,-2.02,-11.459693332870534
COc1cc(NC(=O)N2CCC(CC(=O)NC3CCCCC3)CC2)cc(OC)c1OC,C64846808_decoy,HS90A,Decoy,0.0,-10.4906,-6.85,-2.25,-7.648145517890656
C[C@H]1CCc2nc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)sc2C1,C04999039_decoy,HS90A,Decoy,0.0,-9.2464,-7.29,-0.82,-7.104712980633878
Cc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)cc1,C06432055_decoy,HS90A,Decoy,0.0,-9.22617,-9.66,-1.9,-7.355575519418704
C[C@@H](OC(=O)c1cccc(F)c1)C(=O)NC(=O)NC1CCCCC1,C07513885_decoy,HS90A,Decoy,0.0,-8.88351,-8.8,-0.14,-7.538716915888395
Nn1cc(-c2ccccc2)nc1SCc1nc(-c2cccs2)no1,C06974968_decoy,HS90A,Decoy,0.0,-10.1714,-5.16,0.12,-5.001203028365331
C/C(=N/OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1,C16291067_decoy,HS90A,Decoy,0.0,-9.21895,-6.03,-1.18,-6.344336937059883
Cc1occc1C(=O)NNC(=O)c1ccccc1Oc1ccccc1,C16513804_decoy,HS90A,Decoy,0.0,-7.70293,-5.68,-1.93,-5.614943080804271
CC(C)n1cc(/C=N/NC(=O)CNc2cccc3ccccc23)cn1,C20827385_decoy,HS90A,Decoy,0.0,-8.74267,-9.6,-0.96,-7.224687747567924
C[C@H](C#N)Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N,C06532954_decoy,HS90A,Decoy,0.0,-9.35888,-7.3,-3.22,-6.65915398444636
C[C@@H]1CCCC/C1=N/NC(=O)CCC(=O)N/N=C1/CCCC[C@@H]1C,C30731297_decoy,HS90A,Decoy,0.0,-8.509,-8.42,0.05,-7.2319488825659475
N#Cc1cc(NCC(=O)NCC2CCCCC2)c(=O)n2ccccc12,C35021712_decoy,HS90A,Decoy,0.0,-8.12919,-8.56,-2.93,-7.174929710380508
CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1,C06349562_decoy,HS90A,Decoy,0.0,-9.21367,-8.23,-0.71,-6.954381332489318
CC[NH+](CC)c1ccc([O-])c(/C=[NH+]/n2c(C)nc3ccccc3c2=O)c1,C01094669_decoy,HS90A,Decoy,0.0,-6.91467,-8.05,-3.16,-8.446412812785054
CCOc1ccccc1NC(=O)NC[C@H]1COC2(CCCCC2)O1,C38568894_decoy,HS90A,Decoy,0.0,-8.79176,-8.87,-2.21,-8.469250348414311
CCOC(=O)[C@@H]1[NH+]=c2ccc(F)cc2=C1/N=N/[NH+]1CCCC(C)(C)C1,C38599295_decoy,HS90A,Decoy,0.0,-7.56056,-8.67,-2.68,-7.585725246057084
C[C@@H](OC(=O)C1CCCCC1)C(=O)NC(=O)NC1CCCCC1,C28845148_decoy,HS90A,Decoy,0.0,-8.62068,-8.41,-1.18,-7.394069527308405
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C2CCCCC2)C1=O,C23946455_decoy,HS90A,Decoy,0.0,-7.82169,-7.76,-1.14,-7.324036302717523
O=C(NC[C@@H]1Cc2ccccc2O1)Nc1cccc(Cn2cccn2)c1,C44247643_decoy,HS90A,Decoy,0.0,-8.23312,-10.24,-1.3,-8.426857000054978
O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(OC(F)F)c1,C47907028_decoy,HS90A,Decoy,0.0,-8.04744,-9.07,-0.66,-7.778462162605828
O=C(CNc1cc([N+](=O)[O-])ccc1F)Nc1cc(F)ccc1F,C48272141_decoy,HS90A,Decoy,0.0,-7.55594,-5.23,-2.11,-4.862433193367481
O=C(Nc1ccccc1Cn1cccn1)C(=O)NC1CCCCCCC1,C48638817_decoy,HS90A,Decoy,0.0,-6.77538,-6.19,-0.68,-5.416423526869508
O=C(CCc1ccc2oc(=O)[nH]c2c1)Nc1ccc(N2CCCC2)cc1,C49682313_decoy,HS90A,Decoy,0.0,-9.22483,-6.2,-0.83,-5.5820894198486135
COc1ccc(C#N)cc1NC(=O)NCCO[C@H]1CCCC[C@@H]1C,C50091901_decoy,HS90A,Decoy,0.0,-8.5877,-8.63,-0.6,-7.177651709989169
CC(C)c1cccc(NC(=O)CN2C(=O)N[C@](C)(C(C)C)C2=O)c1,C54228121_decoy,HS90A,Decoy,0.0,-7.59684,-5.96,-2.5,-6.183368683375393
Cc1cc(C)c(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)c1,C54349345_decoy,HS90A,Decoy,0.0,-7.40068,-8.42,-3.94,-6.948343680061626
O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1F,C54352527_decoy,HS90A,Decoy,0.0,-7.32772,-6.44,-0.47,-5.475612773605226
CCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1,C55340084_decoy,HS90A,Decoy,0.0,-8.95512,-6.79,-2.52,-6.5804930609640815
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC/C2=N/O,C13941944_decoy,HS90A,Decoy,0.0,-8.38781,-7.9,-1.16,-10.23438105642368
Cc1cccc([C@H]2CCCN2C(=O)NCCNc2ncccc2C#N)c1,C56885566_decoy,HS90A,Decoy,0.0,-7.31328,-8.76,-1.6,-8.223989580881323
CCCc1cc(=O)[nH]c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1,C09313489_decoy,HS90A,Decoy,0.0,-7.95991,-8.11,-1.21,-7.886569208706061
CCCn1/c(=N/C(=O)CNC(=O)c2ccccc2C)[nH]c2ccccc21,C57614162_decoy,HS90A,Decoy,0.0,-7.42208,-7.96,-0.63,-6.932535292589367
COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@H](C)C(C)C)c1,C58885169_decoy,HS90A,Decoy,0.0,-8.51431,-7.77,-3.98,-8.074976680154942
O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1,C58885780_decoy,HS90A,Decoy,0.0,-9.19735,-9.58,-3.74,-6.9168655841109885
CC1(C)Oc2ccc(NC(=O)NCCCOC3CCCC3)cc2O1,C61785743_decoy,HS90A,Decoy,0.0,-9.40219,-7.8,-1.38,-7.750125040424105
CC1(C)Oc2ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc2O1,C49306902_decoy,HS90A,Decoy,0.0,-8.30161,-8.18,-1.18,-8.773049113908222
O=C1O[C@H](OC(=O)c2ccccc2)C(Nc2cccc(O)c2)=C1Cl,C05129778_decoy,HS90A,Decoy,0.0,-8.2822,-9.0,-2.37,-8.254867908928777
Cc1cc(C)c(CNC(=O)NCc2ccccc2[N+](=O)[O-])c(C)c1,C63798344_decoy,HS90A,Decoy,0.0,-6.35443,-7.19,-2.25,-6.135212556350409
CCOC(=O)N1CCC(NC(=O)NCc2c(C)cc(C)cc2C)CC1,C63799122_decoy,HS90A,Decoy,0.0,-8.39078,-5.46,-1.84,-5.116214092803483
O=C(Nc1cccc(CNc2ccc([N+](=O)[O-])s2)c1)C1CCC1,C64029433_decoy,HS90A,Decoy,0.0,-9.35635,-8.14,-1.14,-8.191769740009903
C[C@@H](NC(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1cccs1,C24216924_decoy,HS90A,Decoy,0.0,-8.21441,-7.37,-1.05,-7.045086673113955
CCCCN1NC=C2[C@H]([C@@H]3C=NN=C3C3CCCCC3)CC(=O)N[C@H]21,C65525626_decoy,HS90A,Decoy,0.0,-7.91281,-7.92,0.53,-9.274445862757752
Cc1cc(NC(=O)NCCc2ccco2)ccc1Oc1cccnc1,C57478241_decoy,HS90A,Decoy,0.0,-9.17028,-9.1,-0.72,-8.126277670572698
CC[C@@H](NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C,C66382610_decoy,HS90A,Decoy,0.0,-8.58766,-4.39,-3.69,-5.008642692858492
CC[C@@H](NC(=O)N1CCC[C@H](C(=O)Nc2ncccc2C)C1)C(C)C,C66382776_decoy,HS90A,Decoy,0.0,-7.29845,-8.84,-1.51,-7.606708428251818
CC[C@@]1(C)NC(=O)N(CC(=O)NC2(c3cccc(C)c3)CCCC2)C1=O,C66511758_decoy,HS90A,Decoy,0.0,-7.85864,-9.72,-3.37,-9.13381326727638
Cn1c(=O)cc(C(=O)NNC(=O)CCC2CCCCC2)c2ccccc21,C66555510_decoy,HS90A,Decoy,0.0,-8.82548,-10.25,-0.58,-7.912461897704922
Cc1cccc(-n2ncc(C(=O)NNC(=O)CC3CCCCC3)c2C)c1,C66571217_decoy,HS90A,Decoy,0.0,-9.21829,-6.42,-0.64,-5.982372905075145
Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2-n2cncn2)c(C)c1,C66667666_decoy,HS90A,Decoy,0.0,-8.00764,-8.69,-1.24,-8.339765792556793
Cc1noc(C)c1CNC(=O)Nc1ccccc1N(C)c1ccccc1,C67546482_decoy,HS90A,Decoy,0.0,-7.71242,-9.02,-0.83,-10.243519423591763
COC(=O)c1s/c(=N/C(=S)NC(=O)c2cccs2)[nH]c1C,C09329492_decoy,HS90A,Decoy,0.0,-7.7565,-6.87,-1.53,-5.7961839254952325
O=C(CCNC(=O)N1CC[C@H](Nc2ccccc2)C1)N1CCCCC1,C67618530_decoy,HS90A,Decoy,0.0,-8.50389,-8.65,-2.17,-6.706865014106648
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3cccc(Cl)c3)C2=O)cc1,C04477127_decoy,HS90A,Decoy,0.0,-7.96384,-9.75,-0.89,-8.44983621114834
Cc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)C[C@@H](C)CC3,C01326225_decoy,HS90A,Decoy,0.0,-10.985,-7.36,-2.1,-7.337695573751598
Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c1,C02991410_decoy,HS90A,Decoy,0.0,-10.0269,-5.44,-0.65,-6.3027241925751
Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)c(C)c1,C01112548_decoy,HS90A,Decoy,0.0,-9.93129,-8.9,-2.79,-9.494264842005938
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H]1c2ccccc2O[C@@H]2C=CC=C[C@@H]21,C04875038_decoy,HS90A,Decoy,0.0,-9.98857,-10.87,-0.54,-10.387191137543702
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCCC2,C05145847_decoy,HS90A,Decoy,0.0,-10.7631,-5.16,-1.79,-6.435831317585824
CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)c3c[nH]c4ccccc34)C2=O)cc1,C03312781_decoy,HS90A,Decoy,0.0,-7.54905,-7.79,-1.51,-6.128627855664214
CC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2ccccc2[nH]1,C07987690_decoy,HS90A,Decoy,0.0,-9.88012,-10.28,-4.74,-11.84839363075445
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3c[nH]c4ccccc34)C2=O)cc1C,C09415763_decoy,HS90A,Decoy,0.0,-8.27026,-9.96,-0.98,-9.838629235526868
Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4F)cc3n2)cc1,C02228065_decoy,HS90A,Decoy,0.0,-9.36951,-11.23,-3.13,-9.133584676657016
CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2Cl)NC(=O)N(C)[C@@]1(O)C(F)(F)F,C11859212_decoy,HS90A,Decoy,0.0,-6.19598,-7.16,-1.91,-6.709278451839236
C#CCn1/c(=N\C(=O)c2ccc(SCC)cc2)sc2cc(S(N)(=O)=O)ccc21,C09294842_decoy,HS90A,Decoy,0.0,-11.579,-5.01,-3.7,-6.190519094078141
COc1cc(CN2C(=S)NC3(CCCCC3)[C@H]3CCCC[C@@]32O)cc(OC)c1OC,C12322850_decoy,HS90A,Decoy,0.0,-9.85557,-5.77,-2.7,-6.286626608242783
Cc1c(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2n1Cc1ccccc1,C12346047_decoy,HS90A,Decoy,0.0,-7.88778,-7.55,-1.15,-6.682233398127758
Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)cc2c1,C01353100_decoy,HS90A,Decoy,0.0,-9.2287,-9.27,-2.45,-9.30335291959209
Cc1c(C(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)oc2ccccc12,C14200299_decoy,HS90A,Decoy,0.0,-8.2851,-8.25,-1.93,-7.938702876329985
CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1F)S2,C15009713_decoy,HS90A,Decoy,0.0,-9.52405,-7.46,-1.68,-7.828311562458804
C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O)c1cccc2ccccc12,C19354001_decoy,HS90A,Decoy,0.0,-8.28682,-11.6,-0.95,-13.855432931172126
C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O)c1cccc2ccccc12,C19354002_decoy,HS90A,Decoy,0.0,-8.77049,-8.15,-1.24,-8.927233986498832
O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(-c2ccccc2)[nH]c1=O,C19374105_decoy,HS90A,Decoy,0.0,-8.90354,-7.95,-2.15,-8.1137883438422
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1,C19869136_decoy,HS90A,Decoy,0.0,-8.2848,-4.92,-0.29,-6.030983616646168
CCC1CCC2(CC1)NC(=O)N(C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2=O,C24992238_decoy,HS90A,Decoy,0.0,-9.66913,-10.99,-0.24,-16.28603496522002
O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1,C25392960_decoy,HS90A,Decoy,0.0,-7.37703,-6.96,-1.88,-5.732609753812971
CS(=O)(=O)/N=c1/[nH]c(CC(=O)Nc2ccccc2Cc2ccccc2)cs1,C29975248_decoy,HS90A,Decoy,0.0,-9.0005,-9.93,-0.94,-11.234804244371285
Cc1cccc(C(=O)/N=C(\NCc2c(C)nn(C)c2C)Nc2ccc(C)cc2C)c1,C32972466_decoy,HS90A,Decoy,0.0,-8.13251,-10.83,-2.69,-9.641291395561552
O=C(Nc1ccccc1)[C@H]1CCCCN1C(=O)c1csc(Nc2ccccc2F)n1,C35593883_decoy,HS90A,Decoy,0.0,-8.65862,-6.01,-0.63,-6.1193266734840925
O=C(NCc1cccnc1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCCCC2)C1,C35813810_decoy,HS90A,Decoy,0.0,-9.51599,-6.04,-1.54,-8.331997409113141
O=C(CNC(=O)c1ccc(-c2nc3ccccc3s2)o1)Nc1ccc(F)c(F)c1F,C36727029_decoy,HS90A,Decoy,0.0,-9.89414,-6.48,-1.48,-5.551623596472229
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O,C03459534_decoy,HS90A,Decoy,0.0,-7.43336,-7.74,-1.02,-5.204568808630707
N#CC1=C(N)Oc2cc(OC(=O)/C=C/c3ccccc3Cl)ccc2[C@@H]1c1ccco1,C38657355_decoy,HS90A,Decoy,0.0,-8.07874,-8.23,-1.42,-9.533875284462228
C=CCSc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3)C3=C2CCCC3=O)s1,C39425948_decoy,HS90A,Decoy,0.0,-10.1917,-5.25,-4.11,-7.260711895815717
O=C(COc1cccc(NC(=O)c2ccccc2)c1)Nc1nc2ccccc2s1,C39891143_decoy,HS90A,Decoy,0.0,-10.2765,-10.53,-1.84,-8.300215435781515
CC[C@H]1Nc2ccc(Cl)cc2C(=O)N1NC(=O)COc1ccc(Cl)cc1C,C39920255_decoy,HS90A,Decoy,0.0,-8.14356,-5.8,-1.4,-5.521539348780059
Cc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)cc2c1,C41307979_decoy,HS90A,Decoy,0.0,-9.21941,-6.47,-2.38,-6.15766921800224
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC[C@H](C(=O)NCC5CC5)C4)nc23)cc1,C49421312_decoy,HS90A,Decoy,0.0,-10.7815,-9.53,-0.39,-9.072391520680986
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCC2)cc1,C05789345_decoy,HS90A,Decoy,0.0,-9.05112,-8.9,-1.37,-6.045094674415514
Cc1ccc(Cc2c(C)[nH]n(-c3nc(C)c(C(=O)Nc4ccccc4)s3)c2=O)cc1,C21803181_decoy,HS90A,Decoy,0.0,-10.1108,-7.48,-4.24,-5.935019542320119
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCCC2)cc1,C05830910_decoy,HS90A,Decoy,0.0,-10.0327,-8.67,-1.56,-8.975688066954485
CCOc1ccccc1/C=C/C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1,C56247596_decoy,HS90A,Decoy,0.0,-9.2814,-8.32,-3.36,-7.130707222046959
O=C(NCCc1cc(F)cc2c1OCOC2)Nc1cccc(N2CCCCC2)c1,C56714219_decoy,HS90A,Decoy,0.0,-8.9108,-9.66,-3.33,-7.472279678879722
O=C(NCCc1cc(F)cc2c1OCOC2)Nc1cccc(-c2nccs2)c1,C56776836_decoy,HS90A,Decoy,0.0,-8.47774,-5.92,-2.43,-5.170553471535036
Cc1ccc(NC(=O)c2sc3nc(CSc4ccccn4)[nH]c(=O)c3c2C)c(C)c1,C25015126_decoy,HS90A,Decoy,0.0,-10.2542,-9.82,-1.77,-10.323920420092376
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)C2=O)cc1,C04305245_decoy,HS90A,Decoy,0.0,-8.79087,-7.43,-1.4,-6.876128553074469
CC(C)[C@@H](NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O)c1ccccc1,C57908256_decoy,HS90A,Decoy,0.0,-8.50845,-6.18,-2.88,-6.537307109053798
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1=O,C14387762_decoy,HS90A,Decoy,0.0,-7.51627,-7.74,-1.66,-7.975177800112119
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1C,C58912946_decoy,HS90A,Decoy,0.0,-8.38288,-9.46,-1.39,-7.3335690379432386
Cc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1,C59337256_decoy,HS90A,Decoy,0.0,-9.8088,-11.02,-4.94,-8.746714521108013
O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)SC(N/N=C/c2ccc(Cl)cc2)=N1,C59564102_decoy,HS90A,Decoy,0.0,-9.6338,-7.54,-1.71,-6.687559984038117
Cc1cc2nc(SCC(=O)Nc3ccccc3C)n(-c3ccc(F)cc3)c(=O)c2[nH]1,C67237377_decoy,HS90A,Decoy,0.0,-9.03114,-5.39,-1.64,-6.196827049796718
Cc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccc(F)cc2)c(C)c1,C67237395_decoy,HS90A,Decoy,0.0,-8.19877,-9.87,-0.47,-10.877070431345878
CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1=O,C04514362_decoy,HS90A,Decoy,0.0,-7.89424,-6.4,-1.54,-5.834147061845511
CC(C)C(=O)Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1,C00937609_decoy,HS90A,Decoy,0.0,-9.35029,-8.57,-1.32,-6.570431426579987
CC[C@@H](C)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1,C05017261_decoy,HS90A,Decoy,0.0,-8.05613,-9.06,-1.75,-8.806949378013268
C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cc2ccccc2s1,C07413011_decoy,HS90A,Decoy,0.0,-9.50622,-8.96,-1.14,-7.93377447271936
CCC(C)(C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O,C07472761_decoy,HS90A,Decoy,0.0,-7.58597,-8.11,-1.33,-9.993337783276177
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1,C02218704_decoy,HS90A,Decoy,0.0,-9.85774,-11.09,-0.84,-7.890038871910288
O=C(Cc1n[nH]c(=O)c2ccccc12)NN=C(c1ccccc1)c1ccccc1,C10129750_decoy,HS90A,Decoy,0.0,-8.45274,-11.33,0.19,-16.9660536038402
Cc1ccc(/C=C/C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1,C11420366_decoy,HS90A,Decoy,0.0,-9.82732,-9.83,-0.86,-7.571153888098776
CC(C)[C@H](NC(=O)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C)c1ccccc1,C12902186_decoy,HS90A,Decoy,0.0,-8.47625,-8.6,-3.06,-8.389562068083565
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C#N)O[C@H](C)C2,C12564478_decoy,HS90A,Decoy,0.0,-8.55849,-8.49,-1.78,-8.21851220344709
CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C#N)O[C@@H](C)C2,C12564480_decoy,HS90A,Decoy,0.0,-8.65743,-8.51,-3.7,-9.110499738924146
CC(C)(C)c1ccccc1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O,C15191021_decoy,HS90A,Decoy,0.0,-7.72474,-7.07,-2.59,-7.749279367272178
CC[C@H](C)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1,C15316906_decoy,HS90A,Decoy,0.0,-8.52281,-9.99,-2.49,-9.576335354633006
CC(C)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1,C20574746_decoy,HS90A,Decoy,0.0,-9.22395,-8.79,-2.62,-7.64385664276613
c1coc(CNc2nc(NN3CCCCC3)c3c4c(sc3n2)CCC4)c1,C34733990_decoy,HS90A,Decoy,0.0,-10.4587,-5.62,-2.35,-6.018164169402248
COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1,C05927695_decoy,HS90A,Decoy,0.0,-7.52851,-8.17,-1.83,-8.049622743598416
O=C(NC[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)O1)Nc1ccccc1,C41178762_decoy,HS90A,Decoy,0.0,-8.23441,-10.06,-2.63,-7.113683755643375
O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCC1(c2ccccc2)CC1,C42082708_decoy,HS90A,Decoy,0.0,-7.81905,-10.65,-2.59,-9.719959614459228
Cc1ccc(-c2nnc(S[C@H](C(=O)N3CCC(C)CC3)C(C)C)n2N)cc1,C42948555_decoy,HS90A,Decoy,0.0,-8.31331,-5.55,-2.91,-5.850020457691012
CC(C)(CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1,C43947705_decoy,HS90A,Decoy,0.0,-6.85585,-6.48,-1.47,-5.994942256663657
Cc1ccc(OCC(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1,C43978413_decoy,HS90A,Decoy,0.0,-8.53825,-8.64,-1.94,-8.794603991338276
Cc1cccc(NC(=O)NC(=O)COC(=O)c2cc(Cl)ccc2F)c1C,C08541983_decoy,HS90A,Decoy,0.0,-9.37784,-6.77,-2.05,-6.865082601884582
O=C(NCCc1cccs1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2,C48917737_decoy,HS90A,Decoy,0.0,-9.77416,-9.61,-0.83,-9.221050324352188
C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]2Oc3ccccc3N(C)C2=O)c1,C49739446_decoy,HS90A,Decoy,0.0,-8.18756,-8.57,-1.7,-7.720969391730031
COC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)cc1,C51615893_decoy,HS90A,Decoy,0.0,-10.1164,-6.86,-1.54,-6.765842163119548
CCC1CCC(CNC(=O)N2CCC(NC(=O)c3scnc3C)CC2)CC1,C51713407_decoy,HS90A,Decoy,0.0,-10.2309,-5.97,-1.82,-7.75173873314926
Cc1nc(COc2cccc(/C=C/C(=O)N=c3[nH]c4ccccc4[nH]3)c2)cs1,C22240035_decoy,HS90A,Decoy,0.0,-9.78383,-5.65,-2.55,-4.705991325271353
O=C(NC[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccccc1,C54200801_decoy,HS90A,Decoy,0.0,-8.07752,-9.52,-2.36,-10.812420524658968
CC(C)[C@H](NC(=O)Nc1cc(N2CCOC2=O)ccc1F)c1cccs1,C54512251_decoy,HS90A,Decoy,0.0,-9.98008,-5.35,-2.49,-6.456603619466182
CC(C)c1cccc(NC(=O)CNc2ccc3nc4n(c(=O)c3c2)CCC4)c1,C55844201_decoy,HS90A,Decoy,0.0,-9.28117,-9.35,-2.83,-7.985063660735594
C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1Oc1ncccc1C#N,C55844592_decoy,HS90A,Decoy,0.0,-8.31765,-7.92,-0.09,-8.251151237133577
Cc1nc(-c2cccc(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)c2)oc1C,C56731460_decoy,HS90A,Decoy,0.0,-9.64987,-8.0,-2.88,-7.713463844121412
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)NC(C2CC2)C2CC2)C1,C56829808_decoy,HS90A,Decoy,0.0,-9.51103,-8.58,-0.93,-9.023691090904084
C=C(C)Cn1c(SCc2cc(O)n[nH]2)nc2sc3c(c2c1=O)CCCC3,C04911314_decoy,HS90A,Decoy,0.0,-9.89768,-8.61,-0.77,-10.999492385467768
Cc1nc(NC2=NCN(CCc3ccccc3)CN2)nc2c(C)cccc12,C19320705_decoy,HS90A,Decoy,0.0,-9.66908,-5.86,-1.1,-5.170378903471964
Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1,C28758201_decoy,HS90A,Decoy,0.0,-8.1198,-8.99,-2.56,-8.730632312809579
Cc1ccc(N[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1,C58018851_decoy,HS90A,Decoy,0.0,-8.60421,-8.76,-0.55,-9.593954860948012
O=C(Nc1ccc(OC(F)F)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1,C07957447_decoy,HS90A,Decoy,0.0,-8.92782,-5.74,-1.13,-6.349810474328232
C[C@H]1C[C@H](c2ccccc2)N2NC(/N=C(\[O-])CCc3ccccc3)=NC2=[NH+]1,C13127172_decoy,HS90A,Decoy,0.0,-9.35929,-7.63,0.04,-6.82573897949761
[O-]c1nc(NCCC2=c3cc(F)ccc3=[NH+]C2)nnc1Cc1ccccc1,C63493528_decoy,HS90A,Decoy,0.0,-8.70216,-9.08,-1.05,-7.160104286147411
CC(C)C(=O)Nc1cn(-c2ccc(C(=O)NC3CCCCCCC3)cc2)cn1,C65096835_decoy,HS90A,Decoy,0.0,-9.70682,-9.13,-2.08,-6.903148636023819
O=C(NCCCC1CCCCC1)Nc1cc(N2CCOC2=O)ccc1F,C54511952_decoy,HS90A,Decoy,0.0,-9.8629,-8.0,-0.73,-7.000549162361056
O=C(COc1ccccc1-c1ccccc1)N/N=C1\C(=O)Nc2ccccc21,C06927875_decoy,HS90A,Decoy,0.0,-6.3617,-9.82,-1.34,-6.202512955948201
C[C@H](CC(=O)Nc1cccc(-n2cccn2)c1)NC(=O)C1CCCCC1,C66307798_decoy,HS90A,Decoy,0.0,-8.23625,-9.34,-1.21,-7.936107547402839
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccccc1-n1cccn1,C66345307_decoy,HS90A,Decoy,0.0,-8.50509,-10.17,-0.42,-8.37997428736926
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cscn2)NC(=O)N1CC(C)C,C67028115_decoy,HS90A,Decoy,0.0,-7.80491,-8.66,-1.7,-7.925414246921684
Cc1cc2nc(SCC(=O)NC3CCCC3)n(CC(C)C)c(=O)c2[nH]1,C67237661_decoy,HS90A,Decoy,0.0,-8.19133,-8.55,-1.03,-13.11508158826032
CS[C@@H](C)c1cccc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1,C67579376_decoy,HS90A,Decoy,0.0,-8.36371,-7.9,-3.1,-9.286504571613165
CCCC(=O)Nc1cccc(NC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c1,C67582409_decoy,HS90A,Decoy,0.0,-8.70716,-5.48,-1.39,-5.586603995980547
C[C@@H]1CN(C(=O)NCCNC(=O)C2CCCCC2)C[C@H](c2ccccc2)O1,C67604057_decoy,HS90A,Decoy,0.0,-7.66674,-6.26,-0.98,-6.300019153213134
C#CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@]2(C)Cc3sc(NC(=O)CC(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840737_decoy,HS90A,Decoy,0.0,-8.19202,-4.07,-1.98,-4.9660663511372825
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1,C00718364_decoy,HS90A,Decoy,0.0,-10.2186,-9.14,-1.24,-8.463283180544646
Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCC4)C2=O)cc1C,C09056474_decoy,HS90A,Decoy,0.0,-9.03894,-10.83,-3.46,-9.770359251264368
O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1,C09190396_decoy,HS90A,Decoy,0.0,-10.4268,-9.76,-1.51,-7.348960169491018
CCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccccc1C(F)(F)F)S2,C09239296_decoy,HS90A,Decoy,0.0,-8.81781,-7.57,-1.75,-7.779664476382591
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCc2c[nH]c3ccccc23)cc1,C09420196_decoy,HS90A,Decoy,0.0,-9.88841,-10.16,-1.8,-8.897196432556417
Cc1cc(C)c2c(CC(=O)Nc3sc4c(c3C(=O)NC[C@@H]3CCCO3)CCCC4)coc2c1,C09430874_decoy,HS90A,Decoy,0.0,-8.92814,-10.13,-1.76,-9.193506736755738
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N[C@H](c1ccccc1)c1cccs1,C09741073_decoy,HS90A,Decoy,0.0,-8.37437,-7.31,-1.64,-8.338321818964948
C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O,C09949853_decoy,HS90A,Decoy,0.0,-9.34585,-10.03,-2.44,-10.990144851473309
COC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1,C10149559_decoy,HS90A,Decoy,0.0,-9.54872,-7.1,-2.15,-10.013290763915773
O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccccc1Br,C11589390_decoy,HS90A,Decoy,0.0,-7.58284,-7.78,-2.01,-7.578829813290999
CC(C)(C)c1ccc(C(=O)N2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1,C12038145_decoy,HS90A,Decoy,0.0,-8.43836,-8.9,-0.8,-7.4832161930595005
O=C1CC[C@@](CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)(Cc2cccc3ccccc23)N1,C11789336_decoy,HS90A,Decoy,0.0,-9.49345,-8.7,-2.06,-11.02325679235444
CC(C)c1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)CCCC3,C01377470_decoy,HS90A,Decoy,0.0,-10.4965,-9.19,-3.33,-9.269116098629668
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)C[C@@H](C)CC3)cc1,C09600860_decoy,HS90A,Decoy,0.0,-9.58337,-10.37,-2.39,-9.447542342672053
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1,C02758604_decoy,HS90A,Decoy,0.0,-8.8414,-9.2,-1.91,-10.182754971384128
Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc2ccccc2c1,C14270975_decoy,HS90A,Decoy,0.0,-8.59638,-10.29,-0.63,-10.333029669495346
O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc(-c2c[nH]c3ccccc23)cs1,C10188515_decoy,HS90A,Decoy,0.0,-10.2675,-10.11,-3.25,-7.343044734594236
C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[C@H](O)COc2ccc(Br)cc2)C1=O,C15236736_decoy,HS90A,Decoy,0.0,-8.52906,-6.41,-1.03,-5.587210553003341
CNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c2ccccc2O1,C15546565_decoy,HS90A,Decoy,0.0,-9.46816,-5.72,-2.03,-6.713713981497967
C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)C1=O,C16455951_decoy,HS90A,Decoy,0.0,-9.07376,-5.95,-2.64,-6.23323956592606
C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccs2)C1=O,C16464359_decoy,HS90A,Decoy,0.0,-7.86315,-6.1,-2.62,-5.505110496642847
CC(C)CC1=NC(C(F)(F)F)(C(F)(F)F)c2c(n(-c3ccc(Cl)cc3)c(=O)[nH]c2=O)N1,C12401353_decoy,HS90A,Decoy,0.0,-7.71524,-8.62,-1.14,-8.896214725152488
N#Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2,C20569708_decoy,HS90A,Decoy,0.0,-9.27639,-9.93,-2.69,-8.753588736713063
CCc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCc4nc5ccccc5[nH]4)nc32)cc1,C20645091_decoy,HS90A,Decoy,0.0,-10.3484,-7.92,0.08,-8.142073234363027
Cc1ccc([C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c2cccs2)cc1,C21733940_decoy,HS90A,Decoy,0.0,-9.31947,-9.32,-4.28,-10.350143314719046
NC(=O)CSc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)s1,C24727890_decoy,HS90A,Decoy,0.0,-10.068,-7.11,-0.55,-8.141432654671785
O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@@H]1CCCN(C(=O)c2ccco2)C1,C25349796_decoy,HS90A,Decoy,0.0,-10.5613,-8.2,-1.97,-8.737743355303829
Cc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)Nc4cccc(C)c4)nc32)cc1,C32948619_decoy,HS90A,Decoy,0.0,-11.2628,-5.41,-4.03,-6.201222174464373
Cc1ccccc1CN(CC1CCC(C(=O)NO)CC1)S(=O)(=O)c1cccc(Cl)c1,C20665342_decoy,HS90A,Decoy,0.0,-9.76788,-10.87,-1.22,-3.162385078709105
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)C2CCCCC2)CC1)c1ccc(F)cc1,C34899816_decoy,HS90A,Decoy,0.0,-10.3407,-6.31,-1.56,-6.727072204022793
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1,C03073471_decoy,HS90A,Decoy,0.0,-10.3822,-5.38,-0.65,-6.121443913266512
Cc1cccc(-n2c(SCC(=O)NCC(F)(F)F)nnc2-c2c[nH]c3ccccc23)c1,C36185598_decoy,HS90A,Decoy,0.0,-9.20904,-8.36,-3.83,-8.860790985428707
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1O,C36551216_decoy,HS90A,Decoy,0.0,-9.91345,-7.94,-2.02,-6.7829664221489
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1OC,C14479136_decoy,HS90A,Decoy,0.0,-9.97956,-7.91,-2.78,-8.69514132264202
CC(C)(C)NC(=O)[C@@H](c1cc2ccccc2c2ccccc12)N(C(=O)[C@@H]1CCC(=O)N1)C(C)(C)C,C36591376_decoy,HS90A,Decoy,0.0,-9.15885,-5.77,-0.57,-6.794811759322919
C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O,C36852582_decoy,HS90A,Decoy,0.0,-8.95241,-11.3,-2.86,-12.675474295875524
C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1,C38678120_decoy,HS90A,Decoy,0.0,-8.51672,-10.38,-0.06,-9.512852849976667
Cc1oc2cc3c(cc2c1C)[C@@H](C)[C@@H](CC(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)O3,C38782548_decoy,HS90A,Decoy,0.0,-9.09559,-10.8,-4.41,-10.538958754000769
O=C(C[C@H]1S/C(=N/N=C/c2c3ccccc3cc3ccccc23)NC1=O)Nc1ccccc1,C39843418_decoy,HS90A,Decoy,0.0,-11.2291,-10.87,-1.71,-10.18658336240791
O=C(Cc1coc2ccc(Cl)cc12)Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCCC2,C39883176_decoy,HS90A,Decoy,0.0,-10.4754,-10.26,-4.15,-11.898091329145265
CCCNC(=O)c1c(NC(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)sc2c1CCCC2,C39992346_decoy,HS90A,Decoy,0.0,-9.12711,-8.16,-3.21,-8.011699056686615
Cc1c(C)c(C)c(S(=O)(=O)NCC2CCN(C(=O)Nc3cccs3)CC2)c(C)c1C,C43961936_decoy,HS90A,Decoy,0.0,-8.92081,-9.97,-2.22,-13.826622118372308
C=c1[nH]n(-c2ccc(C)cc2)c(=O)/c1=C\Nc1scc(-c2ccccc2)c1C(=O)OCC,C01867295_decoy,HS90A,Decoy,0.0,-10.183,-9.26,-2.92,-8.620935392923014
O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1,C58543909_decoy,HS90A,Decoy,0.0,-11.8894,-10.78,-1.5,-11.189415360550266
C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1=O,C59308891_decoy,HS90A,Decoy,0.0,-8.20708,-10.82,-1.49,-8.594492645928113
N#CCOc1ccc(Br)cc1/C=N/NC(=O)Nc1ccc(Br)cc1,C59598204_decoy,HS90A,Decoy,0.0,-9.56941,-8.32,-1.28,-8.07139516351352
O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1,C60155139_decoy,HS90A,Decoy,0.0,-9.97232,-10.93,-0.56,-10.141776411377572
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21,C01949990_decoy,HS90A,Decoy,0.0,-9.31281,-9.45,-0.98,-8.788126512325231
O=C1C[C@@H](Nc2ccc(Cc3nc4ccccc4[nH]3)cc2)C(=O)N1c1ccc(Br)cc1,C01133268_decoy,HS90A,Decoy,0.0,-9.1614,-11.56,-1.61,-8.772850318081403
CCCCOc1ccc2ccccc2c1/C=N/Nc1nc(=O)[nH]nc1C,C04422773_decoy,HS90A,Decoy,0.0,-9.23533,-9.18,-0.67,-10.057932989335812
Cc1n[nH]c(=O)nc1N/N=C/c1cccc(OCc2cccc(Cl)c2)c1,C04422793_decoy,HS90A,Decoy,0.0,-8.1626,-6.74,-0.7,-5.961896814283364
COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2ccccc12,C04706729_decoy,HS90A,Decoy,0.0,-8.52448,-6.08,-2.02,-5.829304117762933
O=Cc1ccc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,C05405200_decoy,HS90A,Decoy,0.0,-8.70393,-9.29,-2.2,-10.370778301163178
CNc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-],C05692981_decoy,HS90A,Decoy,0.0,-6.42558,-5.56,-1.7,-5.3780043388462015
C=C(Nc1ccc(OCC)cc1)[C@@H]1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O,C05840564_decoy,HS90A,Decoy,0.0,-7.90756,-7.66,-1.86,-5.926984938693896
CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O,C03425151_decoy,HS90A,Decoy,0.0,-7.87768,-7.67,-1.03,-7.84540551474026
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(N(C)C)cc1,C07438598_decoy,HS90A,Decoy,0.0,-8.88504,-8.22,-0.55,-9.33999317707224
O=[N+]([O-])c1ccccc1NCCNc1ncnc2sc3c(c12)CCC3,C07365900_decoy,HS90A,Decoy,0.0,-7.03346,-9.05,-1.27,-8.999050661783464
CCC(CC)NC(=O)CN1C(=O)N[C@](C)(c2cc3ccccc3o2)C1=O,C09479212_decoy,HS90A,Decoy,0.0,-7.9848,-5.69,-1.47,-5.2636275916017805
C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1,C10513467_decoy,HS90A,Decoy,0.0,-8.53361,-9.53,-2.31,-9.280480362979011
COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1,C12336574_decoy,HS90A,Decoy,0.0,-7.99893,-4.3,-1.65,-5.060623105706833
CC(C)C(=O)Nc1ccc(SCC(=O)Nc2nc3ccccc3s2)nn1,C13702123_decoy,HS90A,Decoy,0.0,-9.93189,-8.25,-1.97,-8.444572378913582
O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1Cc2cc(Cl)ccc2O1,C15824164_decoy,HS90A,Decoy,0.0,-7.93175,-8.59,-3.0,-7.827875061220229
C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)c1ccc(F)c(F)c1,C16207995_decoy,HS90A,Decoy,0.0,-6.06372,-8.5,-2.24,-5.549748431012682
Cc1ccccc1OCC(=O)OCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C,C07601572_decoy,HS90A,Decoy,0.0,-8.76183,-9.23,-2.98,-7.167168124112452
CCOC(=O)C1=C(CN(C)c2ccccc2)NC(=O)N[C@H]1c1ccc(C)o1,C32754845_decoy,HS90A,Decoy,0.0,-8.79812,-7.29,-1.27,-8.328028652045246
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(O)c1)n2CC(C)C,C32834947_decoy,HS90A,Decoy,0.0,-8.33963,-8.32,-2.64,-7.837718505598532
COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1cc(C)ccc1OC,C18069064_decoy,HS90A,Decoy,0.0,-7.82516,-9.11,-2.3,-8.432914014018099
O=C(CN(C(=O)NCc1ccccc1)C1CCCCC1)Nc1ccon1,C35338959_decoy,HS90A,Decoy,0.0,-7.1277,-9.33,-0.7,-8.553899377316524
CCCCNC(=O)N(O)[C@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C,C04354066_decoy,HS90A,Decoy,0.0,-9.39189,-4.94,-0.48,-4.848059319521674
CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccco2)C(=S)SC1(C)C,C04354072_decoy,HS90A,Decoy,0.0,-8.11022,-4.42,-1.18,-5.926310214430839
CC(C)(C)c1cc(NC(=O)Cc2csc(NC(=O)C3CCCC3)n2)on1,C38739346_decoy,HS90A,Decoy,0.0,-9.52587,-7.59,-2.54,-7.362604005646051
O=C(NCCOc1cc(N2CCCCCC2)ncn1)Nc1ccc(F)cc1,C38908924_decoy,HS90A,Decoy,0.0,-8.05625,-9.35,-2.38,-7.568724964428599
Cc1ccc([C@@H]2NN=C(CCC(=O)NC[C@@H]3N=NC4=C3CCCCC4)O2)s1,C39412904_decoy,HS90A,Decoy,0.0,-9.80322,-9.59,-1.12,-8.364362701158907
C=CCNc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-],C40598925_decoy,HS90A,Decoy,0.0,-7.79021,-7.29,-1.01,-7.124205254457043
CCOC(=O)[C@H]1CCCN(c2ncnc(Oc3cc(C)cc(C)c3)c2N)C1,C40681364_decoy,HS90A,Decoy,0.0,-9.13592,-8.58,-3.06,-8.11363511986997
CCOC(=O)c1ccccc1NC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12,C41077092_decoy,HS90A,Decoy,0.0,-7.94897,-8.67,-1.8,-9.14533113484238
O=C(CCCNc1ncccn1)Nc1ccc2c(c1)OC1(CCCC1)O2,C45766265_decoy,HS90A,Decoy,0.0,-9.12486,-7.91,-2.52,-8.64006389226747
CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)N(C)C[C@H](C)C#N)cc1,C47128290_decoy,HS90A,Decoy,0.0,-8.27361,-6.22,-1.73,-5.925280434705306
Cc1c(NC(=O)C(=O)N[C@H](c2cccs2)C(C)C)cccc1[N+](=O)[O-],C49300293_decoy,HS90A,Decoy,0.0,-8.36235,-7.53,-4.6,-6.876890860293854
N/C(=N\OC(=O)c1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,C05013661_decoy,HS90A,Decoy,0.0,-7.8266,-11.44,-2.84,-8.964664945306955
Cc1c(C(=O)NNC(=O)N(C)CCOc2cccc(F)c2)oc2ccccc12,C56372810_decoy,HS90A,Decoy,0.0,-7.40206,-10.57,-3.55,-8.358208838857934
Cc1ccc(C(=O)N[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)C)cc1,C58163233_decoy,HS90A,Decoy,0.0,-8.71451,-9.98,-1.16,-11.18029528912036
O=C(NCCCn1cnc2ccccc21)Nc1nnc(C2CCCCC2)s1,C58878793_decoy,HS90A,Decoy,0.0,-10.8888,-9.4,-3.85,-8.973293791400685
CC[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1,C49522764_decoy,HS90A,Decoy,0.0,-7.68212,-8.02,-2.61,-6.99905198993313
CCOC(=O)c1ccsc1NC(=O)c1csc(Nc2ccccn2)n1,C62162380_decoy,HS90A,Decoy,0.0,-9.39044,-8.16,-1.41,-8.731862001722856
C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(NC(=O)OC)cc1,C63392106_decoy,HS90A,Decoy,0.0,-9.49438,-5.88,-0.93,-6.734450319086473
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(C(F)(F)F)c1,C63839842_decoy,HS90A,Decoy,0.0,-6.19263,-10.21,-1.15,-7.9490390469981715
CCn1c(SC[C@H]2NN=C(c3ccc(C(C)(C)C)cc3)O2)n[nH]c1=O,C39995941_decoy,HS90A,Decoy,0.0,-8.08545,-7.53,-1.23,-6.153333324943443
CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc([N+](=O)[O-])cc1,C64947873_decoy,HS90A,Decoy,0.0,-8.15216,-8.9,-5.87,-8.595135434987501
O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COc2ccccc2C1,C54645309_decoy,HS90A,Decoy,0.0,-8.07972,-9.73,-0.73,-8.069135264462785
CCOC(=O)[C@@H]1CCCN(C(=O)NCC(=O)Nc2ccc(Cl)cc2)C1,C54649259_decoy,HS90A,Decoy,0.0,-8.13172,-8.01,-3.99,-8.113249557483789
C[C@H](CC(=O)N[C@@H](C)c1nnc2ccccn12)NC(=O)C1CCCCC1,C66279311_decoy,HS90A,Decoy,0.0,-7.74416,-8.84,-3.1,-8.373807452913402
C[C@H](CC(=O)Nc1ccc(-n2cccn2)nc1)NC(=O)C1CCCCC1,C66284988_decoy,HS90A,Decoy,0.0,-8.99714,-8.66,-2.11,-8.131980448105736
Cc1oc(-c2ccco2)nc1CC(=O)NNC(=O)CCC1CCCCC1,C66555362_decoy,HS90A,Decoy,0.0,-8.62572,-8.41,-0.27,-6.726242420595913
Cc1ccc2c(c1)C(=O)N(CC(=O)NNC(=O)CCC1CCCCC1)C2=O,C66556043_decoy,HS90A,Decoy,0.0,-9.04367,-8.39,-1.73,-6.792482742829982
C[C@H](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)NC(=O)C1CCCC1,C66768190_decoy,HS90A,Decoy,0.0,-9.63769,-5.67,-3.03,-6.102235067803606
COc1ccccc1C[C@@H]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1,C66817675_decoy,HS90A,Decoy,0.0,-8.62461,-8.69,-2.72,-9.54921599963546
C[C@H](N[C@@H](c1ccccc1)c1ccco1)C(=O)Nc1ccccc1[N+](=O)[O-],C67133043_decoy,HS90A,Decoy,0.0,-7.29539,-8.62,-1.41,-7.922405171102386
,C08683623_decoy1,,,,-8.22391,-4.23,,-3.4350596654882515
,C00968836_decoy1,,,,-7.43429,-7.23,,-5.531419787010044
,C08683623_decoy2,,,,-7.24751,-4.69,,-3.280314820876518
,C00968836_decoy2,,,,-7.08535,-7.57,,-5.211098258152433