SMILES,Molecule Name,Target Name,Type,label,LF_score,GN_score,DD_score, RMSD_Energy
CCN(CC)c1ccc2cc(C(=O)NC[C@H]3N[C@H](CO)[C@H](O)C3O)c(=O)oc2c1,CHEMBL10131_active,GLCM,Active,1,-9.6942,-9.43,-1.56,-11.409989820898916
CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NC[C@H]3N[C@H](CO)[C@H](O)C3O)cccc12,CHEMBL27760_active,GLCM,Active,1,-10.3323,-8.25,-1.61,-9.246855027598404
CCCCCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1091214_active,GLCM,Active,1,-9.77219,-6.57,-1.19,-11.858415246726734
CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3N[C@H](CO)[C@H](O)C3O)cccc12,CHEMBL280973_active,GLCM,Active,1,-11.145,-7.84,-2.06,-10.96013326573932
CCCCCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1090540_active,GLCM,Active,1,-8.42378,-7.29,-0.62,-14.095604903705253
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCCCC3)cc12,CHEMBL403714_active,GLCM,Active,1,-8.06397,-8.03,-1.41,-10.91005637374934
NC[C@H]1N[C@H](CO)[C@H](O)C1O,CHEMBL9745_active,GLCM,Active,1,-6.15953,-6.61,-0.93,-8.76447039117778
CCCCCCCCCCCCn1cc(CNC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)nn1,CHEMBL1084109_active,GLCM,Active,1,-9.54879,-7.24,-2.89,-8.673044433840024
CCCCCCCCNC1C=C(CO)C(O)C(O)C1O,CHEMBL422734_active,GLCM,Active,1,-8.8815,-6.79,-1.2,-8.98877918712674
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,CHEMBL406121_active,GLCM,Active,1,-8.04663,-6.21,-2.34,-6.904245056962957
CCCC1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)CC1,CHEMBL259854_active,GLCM,Active,1,-8.50069,-6.83,-0.86,-8.459991080180854
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12,CHEMBL259853_active,GLCM,Active,1,-6.64287,-8.66,-0.71,-5.760233293034559
CC1CC(NCCc2ccccc2)C(O)C(O)C1O,CHEMBL316609_active,GLCM,Active,1,-7.58099,-6.3,-0.63,-6.433949450875362
CCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O,CHEMBL176679_active,GLCM,Active,1,-10.0277,-6.65,-1.32,-11.024137069814996
CCCCCCCCCCCCCCn1cc(CNC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)nn1,CHEMBL1086532_active,GLCM,Active,1,-10.0544,-6.88,-2.38,-9.609549456378469
CCCCCCCCCCn1cc(CNC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)nn1,CHEMBL1082596_active,GLCM,Active,1,-9.27224,-7.2,-1.4,-9.453163293059
O=S(=O)(NC[C@H]1N[C@H](CO)[C@H](O)C1O)c1cccc2ccccc12,CHEMBL10478_active,GLCM,Active,1,-8.9319,-8.39,-1.15,-11.071950990963291
CCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)C1O,CHEMBL10219_active,GLCM,Active,1,-8.66329,-7.09,-2.14,-8.263714013510144
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,CHEMBL260582_active,GLCM,Active,1,-6.39656,-7.23,-4.9,-4.649313838886996
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,CHEMBL408500_active,GLCM,Active,1,-9.39968,-6.8,-1.48,-11.686600565928709
OCC1CNCC(O)C1O,CHEMBL345129_active,GLCM,Active,1,-7.10959,-6.44,-0.2,-9.868852338046617
Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12,CHEMBL406704_active,GLCM,Active,1,-8.42837,-6.08,-1.33,-7.066169511280334
CCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O,CHEMBL170431_active,GLCM,Active,1,-10.5471,-6.96,-2.23,-10.066498522208631
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)C3CC3)cc12,CHEMBL260291_active,GLCM,Active,1,-7.27877,-7.57,-1.96,-9.328724849061208
O=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)C1O,CHEMBL274669_active,GLCM,Active,1,-7.74463,-8.08,-0.91,-9.700710564204492
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12,CHEMBL260290_active,GLCM,Active,1,-8.07502,-6.39,-1.48,-5.588410112052336
OC[C@H]1N[C@H](CO)[C@H](O)C1O,CHEMBL10437_active,GLCM,Active,1,-6.5275,-6.47,-1.03,-7.815346953732541
OC1C(O)C2N=C(Nc3ccccc3)OC2C1O,CHEMBL86865_active,GLCM,Active,1,-6.66217,-6.72,0.12,-4.5773830817834025
CCCCCCCCCn1cc(CNC2[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)nn1,CHEMBL1085393_active,GLCM,Active,1,-9.65006,-8.24,-1.96,-9.210036244388254
CCCCCCCCCCNC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O,CHEMBL1083795_active,GLCM,Active,1,-9.31891,-7.24,-1.62,-12.963016344655768
CCCCCCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O,CHEMBL426933_active,GLCM,Active,1,-10.8881,-6.06,-2.4,-9.619007803537476
CCCCCCNC1C=C(CO)C(O)C(O)C1O,CHEMBL354193_active,GLCM,Active,1,-9.2875,-4.65,-1.34,-5.589153001918684
CCCCCCCCCC(=O)N[C@@H](CNC1C=C(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1,CHEMBL59041_active,GLCM,Active,1,-10.0475,-7.38,-1.96,-11.112097723330882
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,CHEMBL429079_active,GLCM,Active,1,-9.02946,-5.65,-0.98,-7.83182676301444
CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,CHEMBL236925_active,GLCM,Active,1,-8.566,-7.33,-2.98,-8.072330967524536
C#CCOc1ccc(C(=O)c2ccc(C(=O)NCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1,CHEMBL590070_active,GLCM,Active,1,-10.785,-7.86,-3.02,-8.37405278737454
OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1,CHEMBL427852_active,GLCM,Active,1,-8.54695,-8.2,-1.81,-7.861856544341461
CCCCCCCCCCNC1CC(C)C(O)C(O)C1O,CHEMBL117074_active,GLCM,Active,1,-9.04856,-6.86,-1.79,-11.536971505563592
CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12,CHEMBL27943_active,GLCM,Active,1,-5.22536,-5.13,-3.76,-3.501101931478774
CCCCCCCCCC(=O)N[C@@H](CNC1C=C(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1,CHEMBL57497_active,GLCM,Active,1,-11.7719,-7.56,-1.51,-10.531777046594064
CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1,CHEMBL258515_active,GLCM,Active,1,-7.29625,-8.08,-4.14,-7.28906939919599
O=C(NC[C@H]1N[C@H](CO)[C@H](O)C1O)c1cccc2ccccc12,CHEMBL407994_active,GLCM,Active,1,-7.48515,-8.94,-1.3,-12.137655240373505
O=C(Nc1cccs1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1,CHEMBL264147_active,GLCM,Active,1,-7.796,-8.39,-4.48,-7.516988041102818
CCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O,CHEMBL1089185_active,GLCM,Active,1,-7.62358,-7.07,-0.31,-10.714146910892074
CCCCCCCCCC(=O)N[C@H](CNC1C=C(CO)C(O)C(O)C1O)[C@@H](O)c1ccccc1,CHEMBL57496_active,GLCM,Active,1,-9.97379,-7.57,-2.93,-10.04226743285905
CCCCCCCCCC(=O)N[C@H](CNC1C=C(CO)C(O)C(O)C1O)[C@H](O)c1ccccc1,CHEMBL60801_active,GLCM,Active,1,-11.5437,-7.57,-3.4,-10.72572106690822
CCCCCCNC1CC(C)C(O)C(O)C1O,CHEMBL115510_active,GLCM,Active,1,-8.14125,-5.32,-0.84,-5.267412678018313
OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1,CHEMBL237350_active,GLCM,Active,1,-7.40421,-6.31,-1.38,-5.192312513091231
NC1C2CCC1(O)C(O)C(O)C2,CHEMBL325028_active,GLCM,Active,1,-6.63833,-6.96,-0.53,-10.261081794271234
CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,CHEMBL441134_active,GLCM,Active,1,-7.88395,-7.3,-1.29,-6.254264749294576
OC1CCN2C[C@H](O)[C@@H](O)[C@H](O)C12,CHEMBL421040_active,GLCM,Active,1,-6.94145,-6.99,-0.12,-5.742365936511224
CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,CHEMBL237560_active,GLCM,Active,1,-8.16701,-6.2,-1.62,-5.580954239425124
O[C@@H]1[C@@H](O)[C@H](O)C[C@H]2O[C@@H]12,CHEMBL35833_active,GLCM,Active,1,-6.54782,-6.59,-0.3,-6.494981603901502
Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12,CHEMBL259330_active,GLCM,Active,1,-8.69852,-5.39,-2.34,-5.398143269568489
CC(=O)c1cc2c(N)c(/C(N)=N/C#N)sc2nc1C,C04719096_decoy,GLCM,Decoy,0,-7.2776,-5.3,-0.25,-5.045930889110347
[NH3+][C@@]1(C(=O)[O-])C=C(c2ccccc2)[C@](O)(c2ccccc2)C1,C01686502_decoy,GLCM,Decoy,0,-5.45737,-9.1,-1.6,-5.12271375335535
CC1=C(/C(C)=N/NC(=O)C(N)=O)Sc2ccccc2N1,C05722317_decoy,GLCM,Decoy,0,-6.80736,-7.76,-1.15,-8.7161427432614
NC(=O)C(C(N)=O)[C@H]1OC(=O)C(Br)=C1Br,C03102185_decoy,GLCM,Decoy,0,-6.81332,-4.1,-0.35,-3.5905215829097687
COc1ccc(N)cc1OCc1ccc(C(N)=O)cc1F,C19515485_decoy,GLCM,Decoy,0,-6.74986,-7.39,-1.83,-5.561483637274903
NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](c1ccccc1)N2,C31890736_decoy,GLCM,Decoy,0,-7.70584,-6.27,-1.72,-4.556668404443495
[NH3+][C@@H](CSCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-],C35082737_decoy,GLCM,Decoy,0,-8.18646,-6.04,-0.72,-7.00303244101429
[NH3+][C@H](CCCC(=O)[O-])c1cc2c(cc1Cl)NC(=O)C2,C35359329_decoy,GLCM,Decoy,0,-6.19246,-5.42,-2.18,-4.877762446214443
[NH3+][C@@H](CCC(=O)[O-])c1cc2c(cc1Cl)NC(=O)C2,C35359332_decoy,GLCM,Decoy,0,-7.21646,-7.96,-1.79,-8.578172704846152
Cc1ccsc1C(=O)N(CC(N)=O)Cc1cccc(N)c1,C35366684_decoy,GLCM,Decoy,0,-6.5747,-6.92,-2.35,-5.22573796661211
[H]/N=C1\S[C@@H]2C[C@@H](C(C)(C)C)CCC2=C1C(=O)NN,C31862605_decoy,GLCM,Decoy,0,-7.78058,-5.34,-0.83,-4.92146732324086
[H]/N=C1\NN(C)C(=N\[H])/C1=N\Nc1ccc(Cl)c(C(F)(F)F)c1,C15221682_decoy,GLCM,Decoy,0,-6.08836,-7.1,-0.7,-4.737440768717348
NC(=S)c1ccc([C@@H](O)CN2CCN(CCO)CC2)cc1,C36231485_decoy,GLCM,Decoy,0,-9.32945,-6.52,-1.0,-11.269468213121543
Nc1cc2c(cc1NC1CCS(=O)(=O)CC1)NC(=O)C2,C36331142_decoy,GLCM,Decoy,0,-6.03706,-7.49,-1.3,-4.567917870047417
CC(C)[C@H]([NH3+])C(=O)Nc1cc(C(=O)[O-])c(F)cc1F,C37001901_decoy,GLCM,Decoy,0,-7.4009,-6.34,-2.56,-10.707194123735697
O=c1[nH]c2ccc(NCc3cccc(O)c3)cc2[nH]c1=O,C37073581_decoy,GLCM,Decoy,0,-6.87225,-8.08,-0.98,-9.708774945311824
CCNC(=O)NC(=O)[C@H](C)Sc1ccc(N)cc1,C37182380_decoy,GLCM,Decoy,0,-5.53002,-5.33,-2.36,-3.6772161117449818
CC[C@H]1CO[C@H](C)CN1c1cc(N)cc(S(N)(=O)=O)c1,C37934271_decoy,GLCM,Decoy,0,-8.40077,-6.26,-0.14,-7.253498307362658
CC[C@@H]1CO[C@@H](C)CN1c1cc(N)cc(S(N)(=O)=O)c1,C37934272_decoy,GLCM,Decoy,0,-6.70118,-7.48,-2.29,-7.087814915631343
CCNC(=O)NC(=O)[C@H](C)N1CCSc2ccc(N)cc21,C38051375_decoy,GLCM,Decoy,0,-8.0062,-7.29,-1.89,-5.8171656726489855
O[C@H](c1nc2ccccc2[nH]1)[C@@H](O)c1nc2ccccc2[nH]1,C12360091_decoy,GLCM,Decoy,0,-7.1594,-8.65,-3.53,-5.786604700081702
COc1ccccc1CN(C)C(=O)c1cc(N)cc(N)c1,C40314151_decoy,GLCM,Decoy,0,-6.06684,-7.46,-4.47,-8.436922319651087
C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(N)cc(N)c1,C40319331_decoy,GLCM,Decoy,0,-5.29047,-6.53,-1.58,-4.06249961605132
CCCCN(CC(N)=O)C(=O)c1cc(N)c(C)c(F)c1,C40326666_decoy,GLCM,Decoy,0,-6.1113,-6.66,-2.32,-4.871079588730082
CSCC[C@H]([NH3+])C(=O)NC1(C(=O)[O-])CCCCCC1,C40481832_decoy,GLCM,Decoy,0,-9.07015,-5.9,-4.16,-8.389786034480297
CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])C1CCCCC1,C40486645_decoy,GLCM,Decoy,0,-7.82576,-6.5,-2.44,-7.322711240258727
NC(=O)c1ccc(C[S@+]([O-])c2ccc(F)cc2)c(N)c1,C40962274_decoy,GLCM,Decoy,0,-6.31296,-6.16,-1.55,-4.121898673865979
Cc1nc(CNc2cc3c(cc2N)NC(=O)CC3)cs1,C41010364_decoy,GLCM,Decoy,0,-7.15443,-7.21,-0.39,-4.849753461175984
CC(C)C[C@@H]([NH3+])C(=O)N[C@]1(C(=O)[O-])CCC[C@@H](C)C1,C41036622_decoy,GLCM,Decoy,0,-8.27475,-6.55,-0.44,-5.685707048168246
NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(N)cs1,C41067850_decoy,GLCM,Decoy,0,-6.61324,-5.33,-3.27,-3.9732831531810273
C[C@H]([NH2+][C@]1(C(=O)[O-])CCSc2ccccc21)C(N)=O,C41805009_decoy,GLCM,Decoy,0,-6.25275,-6.64,-2.06,-4.659176940397602
CC(C)([NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1)C(N)=O,C41834199_decoy,GLCM,Decoy,0,-5.23158,-7.35,-2.28,-4.901008905485865
C[C@H](NC(=O)[C@@H](C)NC(N)=O)c1ccc(F)c(F)c1,C42673731_decoy,GLCM,Decoy,0,-5.90505,-7.92,-1.91,-9.429807022699768
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccsc1,C43112326_decoy,GLCM,Decoy,0,-6.37562,-6.95,-5.15,-8.316771947404366
Cc1ccc(C(N)=O)c(N(C)[C@@H](C)c2cccc(N)c2)n1,C43396044_decoy,GLCM,Decoy,0,-6.65378,-6.56,-2.13,-4.594449861732546
[NH3+][C@H](CC(=O)[O-])c1c[nH]c2ccc(Br)cc12,C44215494_decoy,GLCM,Decoy,0,-6.21497,-7.15,-3.31,-4.661015723681192
[NH3+][C@H](CC(=O)[O-])c1c[nH]c2c(F)c(F)c(F)c(F)c12,C44217691_decoy,GLCM,Decoy,0,-6.60343,-6.77,-0.26,-4.707725996682273
Nc1nc(SC[C@@H](O)c2ccc(F)cc2F)n[nH]1,C44264078_decoy,GLCM,Decoy,0,-8.38696,-7.1,-1.5,-5.9389163237092255
CCC[C@H](C(=O)N1CCC(CC(N)=O)CC1)C(N)=S,C44858805_decoy,GLCM,Decoy,0,-7.74672,-6.24,-0.96,-5.589519456594631
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)CC1(C(=O)[O-])CCCC1,C48838512_decoy,GLCM,Decoy,0,-7.77013,-6.93,-1.52,-7.49766526661289
[NH3+][C@H]1CCCC[C@@H]1NC(=O)CC1(C(=O)[O-])CCCC1,C48838518_decoy,GLCM,Decoy,0,-6.41488,-6.23,-0.68,-6.660810735365056
CC1(C)COCCN1c1cc(N)cc(S(N)(=O)=O)c1,C48927184_decoy,GLCM,Decoy,0,-8.16585,-6.54,-0.5,-4.63735726980778
Cc1cc([C@@H](C)NC(=O)C(=O)NCC(N)=S)c(C)s1,C49511726_decoy,GLCM,Decoy,0,-8.96069,-6.01,-1.48,-5.83322566507044
CC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@@H]1c1ccc(C)s1,C58949050_decoy,GLCM,Decoy,0,-6.43374,-5.34,-3.1,-3.601879043686776
N#Cc1ccccc1CSCc1nc(N)nc(N)n1,C24940712_decoy,GLCM,Decoy,0,-7.56135,-6.62,-2.77,-8.65700367571492
CN(CC1CCC1)c1cc(N)cc(S(N)(=O)=O)c1,C61455918_decoy,GLCM,Decoy,0,-7.74134,-6.08,-2.87,-6.693771638856396
Nc1ccc2[nH]c(C(=O)N(CCO)CC(F)(F)F)cc2c1,C62834336_decoy,GLCM,Decoy,0,-5.88271,-4.49,-1.13,-2.802570440951428
NNc1c(F)cc(C(=O)NCCc2nccs2)cc1F,C63141525_decoy,GLCM,Decoy,0,-8.03963,-8.42,-0.69,-6.6178224720441206
Cc1ccc2c(c1)[C@@H]([C@H]1NCCc3[nH+]c[nH]c31)[C@H](C(=O)[O-])N2,C65525853_decoy,GLCM,Decoy,0,-7.17896,-5.57,-1.58,-3.755894929851253
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO,C65742995_decoy,GLCM,Decoy,0,-9.03659,-5.8,-1.23,-3.9138243678488633
NNC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F,C02568586_decoy,GLCM,Decoy,0,-6.57113,-5.58,-2.68,-3.8306994099850624
OC[C@@H](O)[C@@H](O)[C@@H](O)c1cnn(-c2ccc(Br)cc2)n1,C04982797_decoy,GLCM,Decoy,0,-8.17045,-7.97,-2.29,-10.55577364457992
CC(C)C[C@@H]([NH3+])C(=O)NC1(C(=O)[O-])C2CC3CC(C2)CC1C3,C01736295_decoy,GLCM,Decoy,0,-6.94349,-6.75,-3.06,-7.523766885775386
NC(=O)CSc1nnc2c3c4c(sc3nc(N)n12)CCC4,C16846068_decoy,GLCM,Decoy,0,-9.03471,-5.08,-0.63,-4.020327670224848
COC(=O)c1sc(=S)n(-c2ccc(S(N)(=O)=O)cc2)c1N,C20220458_decoy,GLCM,Decoy,0,-7.87293,-4.94,-2.35,-3.787484441744128
Nc1ccc2c(c1)N(C[C@@H](O)CO)C(=O)/C(=C\c1cccs1)O2,C20337483_decoy,GLCM,Decoy,0,-8.05748,-5.37,-1.64,-6.06904412944862
Nc1ccc2c(c1)N(C[C@H](O)CO)C(=O)/C(=C\c1cccs1)O2,C20337486_decoy,GLCM,Decoy,0,-8.19353,-5.55,-1.36,-5.643167776934616
Nc1cc(Cl)cc(Cl)c1NC(=O)CN1C(=O)CNC1=O,C21520561_decoy,GLCM,Decoy,0,-5.72986,-7.05,-1.84,-4.293407978178008
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1cnc[nH]1,C31158701_decoy,GLCM,Decoy,0,-6.61444,-8.46,-0.64,-5.254838136986927
Cc1ncsc1C(=O)N(CC(N)=O)Cc1cccc(N)c1,C35366687_decoy,GLCM,Decoy,0,-6.5919,-6.97,-2.36,-5.21045814280668
Cc1nc(N)sc1SCCS(=O)(=O)CCC(N)=O,C37036836_decoy,GLCM,Decoy,0,-9.82977,-6.79,-4.15,-6.41726751360074
CN(C)S(=O)(=O)c1ccc(N2CCC[C@@H]2C(N)=O)c(N)c1,C37365609_decoy,GLCM,Decoy,0,-6.67848,-7.2,-1.53,-5.156312413592426
[NH3+][C@@H](CCSCC(=O)Nc1ccc(Br)cc1)C(=O)[O-],C37735538_decoy,GLCM,Decoy,0,-7.92982,-6.92,-1.48,-10.358615695125344
[NH3+][C@H](CCSCC(=O)Nc1ncc(Cl)cc1Cl)C(=O)[O-],C37736108_decoy,GLCM,Decoy,0,-7.76021,-6.15,-1.37,-10.091515939329176
CSCC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CCO,C37862229_decoy,GLCM,Decoy,0,-8.61722,-5.88,-3.32,-6.072712191542777
CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)NC(=O)NC2=O)C1,C03189465_decoy,GLCM,Decoy,0,-7.09195,-7.68,-0.69,-7.748125321738774
CC1=C(C(N)=O)[C@H](c2cccs2)N2NC(CCCO)=NC2=N1,C04294237_decoy,GLCM,Decoy,0,-8.40665,-7.22,-0.83,-5.913949996543048
NC(=O)C1=C2CCC[C@H]2S[C@H]1NC(=O)CSc1ncn[nH]1,C38810642_decoy,GLCM,Decoy,0,-9.62774,-6.15,-1.27,-8.033604747399117
NC(=O)C1=C2CCC[C@@H]2S[C@@H]1NC(=O)CSc1ncn[nH]1,C38810645_decoy,GLCM,Decoy,0,-10.1339,-7.39,-1.43,-12.86819481350929
C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(S(N)(=O)=O)cc1,C40214542_decoy,GLCM,Decoy,0,-6.75888,-8.16,-2.14,-5.3587552058222006
NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(F)c(N)c1,C40329584_decoy,GLCM,Decoy,0,-7.2401,-5.85,-1.29,-4.874304060364147
CC(C)CN(CC(N)=O)S(=O)(=O)c1cc(N)cc(Cl)c1F,C40333630_decoy,GLCM,Decoy,0,-7.30096,-5.61,-1.43,-5.001199044738442
NC(=O)CC1CCN(S(=O)(=O)c2ccc(F)c(N)c2)CC1,C40334236_decoy,GLCM,Decoy,0,-6.99033,-7.78,-3.83,-5.260619557367372
Cc1cc(=O)[nH]c(Sc2nc(C)cc(C)c2/C(N)=N/O)n1,C40515871_decoy,GLCM,Decoy,0,-7.79187,-5.93,-3.46,-4.504079260301897
C[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(F)cc1,C40549437_decoy,GLCM,Decoy,0,-6.72599,-7.64,-2.98,-6.839085518329995
NC(=O)c1cc([N-]S(=O)(=O)N2CC[NH2+]CC2)c(F)cc1F,C40860550_decoy,GLCM,Decoy,0,-6.55662,-7.71,-0.09,-13.674387533536787
Cc1ncc(CNc2c(N)n(CC(C)C)c(=O)[nH]c2=O)s1,C40998282_decoy,GLCM,Decoy,0,-7.1839,-6.87,-1.65,-7.071458689266054
Cc1nc2ccccc2n1CCCNC(=O)[C@@H](C)NC(N)=O,C41979732_decoy,GLCM,Decoy,0,-6.66239,-7.1,-1.83,-7.1270552147381885
NC(=O)CCCNC(=O)C(=O)Nc1ccc(Br)cc1,C42043691_decoy,GLCM,Decoy,0,-6.48722,-5.62,-1.35,-4.602051610422777
CC(C)N(CC(N)=O)c1ccc(S(=O)(=O)N(C)C)cc1N,C42428325_decoy,GLCM,Decoy,0,-7.10932,-6.06,-2.62,-5.42011383039013
C[C@@H](NC(=O)NNC(=O)C(=O)NC1CC1)c1ccc(F)cc1F,C42809545_decoy,GLCM,Decoy,0,-5.90308,-7.67,-2.44,-5.327667615697629
CS(=O)(=O)NCCNc1ccc(N)cc1Br,C43596945_decoy,GLCM,Decoy,0,-6.76863,-6.38,-1.08,-6.447317838606652
[NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(CC(=O)[O-])s1,C48839731_decoy,GLCM,Decoy,0,-9.7458,-5.11,-0.89,-4.555614959066562
NS(=O)(=O)c1ccc(CNC(=O)NCC(F)(F)F)s1,C49027860_decoy,GLCM,Decoy,0,-7.12584,-7.53,-1.02,-8.629917302129577
C[C@H](C/C(N)=N/O)NS(=O)(=O)c1c(F)cc(F)cc1F,C50389678_decoy,GLCM,Decoy,0,-7.97013,-6.55,-1.39,-5.88539108143547
CNS(=O)(=O)c1ccc(NC[C@@H]2CCS(=O)(=O)C2)c(N)c1,C50602230_decoy,GLCM,Decoy,0,-7.94842,-6.37,-0.98,-5.364199412619455
Nc1ncc(Br)cc1C(=O)NCC(=O)NC1CC1,C50703444_decoy,GLCM,Decoy,0,-7.1652,-7.53,-3.34,-7.681958818285228
NNc1ccc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)n1,C51088962_decoy,GLCM,Decoy,0,-6.03076,-6.83,-0.62,-5.864670724432267
NNc1ccc(C(=O)N(CCO)C2CC2)cc1C(F)(F)F,C51125685_decoy,GLCM,Decoy,0,-6.50983,-7.58,-4.46,-5.607143009272017
Nc1nc2sccn2c1S(=O)(=O)N[C@H]1CCCC[C@@H]1O,C52015775_decoy,GLCM,Decoy,0,-9.81477,-6.92,-1.05,-7.097511166396351
Cc1c([C@@H](C)NC(=O)[C@H](C)NC(N)=O)cnn1-c1ccc(F)cc1,C55992607_decoy,GLCM,Decoy,0,-6.9887,-8.06,-4.46,-8.657766580661516
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)C(C(N)=O)=C(N)O2,C58903451_decoy,GLCM,Decoy,0,-6.42189,-6.38,-5.5,-4.073444797666594
CCOC(=O)C1=C(N)OC(C)=C(C(N)=O)[C@H]1c1ccc(C)o1,C58949472_decoy,GLCM,Decoy,0,-6.30128,-5.77,-2.89,-4.3693103547799375
CC(C)CN(CC(N)=O)C(=O)c1cc(N)ccc1Br,C45624235_decoy,GLCM,Decoy,0,-6.03669,-7.04,-3.2,-5.2521721983056295
CCn1c(SCC(=O)Nc2ccc(F)cc2N)n[nH]c1=O,C61594168_decoy,GLCM,Decoy,0,-6.35665,-6.5,-1.12,-4.965252505035364
Cc1nccn1-c1ccc(CNC(=O)CNC(N)=O)cc1F,C63123450_decoy,GLCM,Decoy,0,-5.42784,-8.02,-2.08,-6.934848629802346
C=CCNC(=O)COc1ccc(C(=O)NN)cc1Br,C66056668_decoy,GLCM,Decoy,0,-7.15619,-7.27,-1.9,-6.001270116817838
Nc1nc(N)nc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1,C66845279_decoy,GLCM,Decoy,0,-7.83107,-7.46,-0.69,-5.599832676996567
Cc1nc(C(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)cs1,C66899225_decoy,GLCM,Decoy,0,-7.58755,-5.8,-2.16,-4.368750869123576
NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1,C67571658_decoy,GLCM,Decoy,0,-7.22439,-6.43,-3.26,-5.963112488368033
CSCC[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)[O-],C04557161_decoy,GLCM,Decoy,0,-9.03501,-4.65,-4.38,-6.83586581691911
NC(=O)c1ccsc1NC(=O)CSCCO,C08526420_decoy,GLCM,Decoy,0,-8.16732,-5.42,-1.47,-5.253950850456377
NC(=O)c1sc(=S)n(CCN2CCOCC2)c1N,C13690317_decoy,GLCM,Decoy,0,-7.2054,-6.48,-0.44,-5.257267153991662
CCC[C@H](C)NC(=O)[C@H](C)SC[C@H]([NH3+])C(=O)[O-],C35185146_decoy,GLCM,Decoy,0,-7.21753,-6.46,-1.68,-9.08744702162784
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N1CCC[C@H](O)C1,C35186998_decoy,GLCM,Decoy,0,-6.40757,-6.03,-0.77,-5.013839412900047
CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](O)C1,C35187008_decoy,GLCM,Decoy,0,-6.96107,-6.66,-0.46,-5.451005391904885
CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](CO)C1,C36202842_decoy,GLCM,Decoy,0,-7.06461,-7.5,-1.84,-5.789935367118256
CN(Cc1ccncc1)c1ccc(S(N)(=O)=O)cc1N,C36776243_decoy,GLCM,Decoy,0,-7.75501,-7.69,-2.41,-5.3596697975533045
CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1F)C(=O)[O-],C36839387_decoy,GLCM,Decoy,0,-5.80026,-6.53,-2.11,-4.666871981809528
CN(CC(N)=O)S(=O)(=O)c1cc(N)cc(Cl)c1F,C37270313_decoy,GLCM,Decoy,0,-6.99159,-6.63,-1.75,-4.9892564654620335
NC(=O)CN(Cc1cccc(N)c1)c1nccs1,C37672359_decoy,GLCM,Decoy,0,-6.49304,-7.34,-2.95,-5.244290016499298
N#C/C(=C\c1ccc(/C=C(\C#N)C(N)=O)cc1)C(N)=O,C00436146_decoy,GLCM,Decoy,0,-6.94639,-7.52,-2.06,-5.381212678651614
[NH3+]CCCCNC(=O)CC1(CC(=O)[O-])CCCC1,C40224173_decoy,GLCM,Decoy,0,-7.99973,-6.04,-1.25,-7.508229106205701
N#CCCN(CCC#N)C(=O)c1ccc(N)cc1N,C40332367_decoy,GLCM,Decoy,0,-5.73831,-6.77,-0.95,-4.6800285550550775
Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)C(N)=S,C40362631_decoy,GLCM,Decoy,0,-7.78541,-5.71,-2.23,-5.260652336777962
CSCC[C@@H](NC(=O)[C@@](C)([NH3+])C1CC1)C(=O)[O-],C40471317_decoy,GLCM,Decoy,0,-7.10771,-5.74,-1.57,-9.973140736977331
CC(C)C[S@@+]([O-])Cc1ccc(C(N)=O)cc1N,C40969829_decoy,GLCM,Decoy,0,-6.53073,-5.89,-1.62,-3.890184492680546
CSCC[C@H]([NH3+])C(=O)N[C@@]1(C(=O)[O-])CCC[C@@H](C)C1,C41036774_decoy,GLCM,Decoy,0,-9.41456,-5.51,-4.18,-5.797537119477661
C[C@H](OC(=O)c1cc(N)cc(N)c1)C(=O)N(C)C,C41094335_decoy,GLCM,Decoy,0,-4.75286,-6.4,-0.89,-4.179548472346744
C[C@H]1CC(C)(C)C[C@@]([NH2+]CCCC(N)=O)(C(=O)[O-])C1,C41807811_decoy,GLCM,Decoy,0,-6.09766,-6.73,-1.07,-5.107600956438388
CCC[C@@](C)([NH2+]C1CCC(C(N)=O)CC1)C(=O)[O-],C41834016_decoy,GLCM,Decoy,0,-7.10879,-4.82,-0.98,-3.912230154035778
CCC[C@](C)(NC(=O)N1CCC[C@@H]([NH3+])C1)C(=O)[O-],C42430348_decoy,GLCM,Decoy,0,-7.2492,-6.56,-1.06,-10.896003135181012
C[C@H](C#N)CN(C)c1cc(N)cc(S(N)(=O)=O)c1,C42455266_decoy,GLCM,Decoy,0,-7.756,-7.03,-0.8,-7.882269594382344
CN(CCO)c1nc2c(cc1/C(N)=N/O)CCCC2,C43410632_decoy,GLCM,Decoy,0,-7.32125,-6.11,-0.59,-4.975009866228451
NC(=O)CN(C(=O)c1ccc(N)cc1F)C1CCCC1,C43571432_decoy,GLCM,Decoy,0,-6.36322,-7.54,-0.95,-5.163525788452729
COc1ccc(Br)c([C@@H]([NH3+])CC(=O)[O-])c1O,C44216425_decoy,GLCM,Decoy,0,-7.04928,-6.41,-0.65,-12.056244056991568
CC[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCC[C@@H]1[NH3+],C44629191_decoy,GLCM,Decoy,0,-6.91052,-5.73,-4.42,-6.325994479678808
CC[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCC[C@@H]1[NH3+],C44629193_decoy,GLCM,Decoy,0,-6.04976,-6.72,-0.48,-9.906318585116226
CCC(CC)(C(=O)NCCNC(C)=O)C(N)=S,C44776334_decoy,GLCM,Decoy,0,-6.20066,-5.73,-1.05,-5.295303066402809
CCC(CC)(C(=O)N(CC(N)=O)CC(C)C)C(N)=S,C44782188_decoy,GLCM,Decoy,0,-6.49116,-5.35,-3.89,-4.911304751895939
Cc1n[nH]cc1CNC(=O)[C@H](C(N)=S)C(C)C,C44858359_decoy,GLCM,Decoy,0,-7.89045,-6.46,-1.16,-8.121279802724231
CCC[C@H](C(=O)N(CC(N)=O)C1CCCC1)C(N)=S,C44858850_decoy,GLCM,Decoy,0,-7.69487,-6.32,-4.52,-7.960560337930664
CC(C)[C@H](C(=O)N(CC(N)=O)C(C)C)C(N)=S,C44858883_decoy,GLCM,Decoy,0,-6.74778,-4.63,-1.57,-4.386262876404819
CC1(NC(=O)C(=O)NCC(N)=S)CCCCC1,C45047088_decoy,GLCM,Decoy,0,-7.16195,-4.8,-0.39,-4.395352523212848
CC(C)[C@H](NC(N)=O)C(=O)NCc1ccncc1,C45051214_decoy,GLCM,Decoy,0,-5.56829,-6.93,-1.2,-5.118501436438079
CSCC[C@@H](NC(N)=O)C(=O)NCC1CCC1,C48181556_decoy,GLCM,Decoy,0,-6.63787,-6.15,-4.66,-5.4304333196216605
[NH-]C(=O)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1,C49021331_decoy,GLCM,Decoy,0,-4.48195,-6.68,-1.54,-5.464611277682815
Nc1cc(N)cc(C(=O)OCCn2cccn2)c1,C49326576_decoy,GLCM,Decoy,0,-6.06953,-6.4,-1.58,-5.690649403517536
N#CCCN(c1cc(C(N)=O)c(N)cc1F)C1CC1,C50032735_decoy,GLCM,Decoy,0,-6.76548,-7.86,-1.33,-8.011485142488029
COC[C@H](C)NC(=O)c1cnc(NN)c(Cl)c1,C51089588_decoy,GLCM,Decoy,0,-7.85807,-6.06,-0.81,-5.421733755954879
N/C(=N/O)c1c(Cl)cccc1OCCCO,C52907289_decoy,GLCM,Decoy,0,-6.8202,-5.32,-0.86,-4.550016242545855
CN(Cc1ccncc1)c1ccc(N)cc1C(N)=O,C41084000_decoy,GLCM,Decoy,0,-5.39558,-7.83,-3.81,-4.812711773209269
[NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)CCC(=O)[O-],C42430708_decoy,GLCM,Decoy,0,-7.2642,-5.97,-1.84,-7.580566885613458
Cc1cc(=O)[nH]c(SCC[C@@](C)([NH3+])C(=O)[O-])n1,C45585916_decoy,GLCM,Decoy,0,-6.46505,-7.22,-1.28,-7.126739996041606
C[C@@H](CC(=O)[O-])C[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2,C61829492_decoy,GLCM,Decoy,0,-6.19596,-6.06,-1.48,-5.069137396123383
COCCCN(C)c1cc(C(N)=O)c(N)cc1F,C62032039_decoy,GLCM,Decoy,0,-6.44798,-7.22,-3.64,-5.489386656378335
C[NH+](CC(=O)[O-])CC(=O)Nc1ccc(N)cc1Cl,C62463260_decoy,GLCM,Decoy,0,-5.28449,-6.68,-0.7,-4.640828563285889
CSCC[C@H](NC(N)=O)C(=O)N1CC(O)C1,C62809225_decoy,GLCM,Decoy,0,-7.7382,-5.89,-1.54,-5.768388210552458
CCC1(C(=O)[O-])CCN(C(=O)NCCC[NH3+])CC1,C62847411_decoy,GLCM,Decoy,0,-6.55576,-5.17,-0.92,-4.748122807062133
NNc1c(F)cc(C(=O)N2CCN(CCO)CC2)cc1F,C63007417_decoy,GLCM,Decoy,0,-8.07834,-7.02,-1.49,-5.544428704999341
Nc1ncnc2[nH]c(N3CC[NH2+]CC3)nc12,C18194946_decoy,GLCM,Decoy,0,-6.62139,-6.89,0.28,-4.53574453294971
CC[C@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C19842525_decoy,GLCM,Decoy,0,-5.51362,-6.72,-0.86,-4.177532336493619
[NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCO1,C19842743_decoy,GLCM,Decoy,0,-6.45768,-8.12,-0.68,-6.951531411099003
[NH3+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCO1,C19842748_decoy,GLCM,Decoy,0,-7.51774,-6.9,-1.05,-4.701745394655131
C[NH+]1CCc2c(sc3nc(=O)n(N)c(N)c23)C1,C26803039_decoy,GLCM,Decoy,0,-6.81658,-7.05,-0.83,-4.899723116986718
CC(C)[C@@H](C(N)=O)[NH+]1CCC(C(N)=O)CC1,C32024522_decoy,GLCM,Decoy,0,-6.20764,-6.4,-0.69,-7.543382997285573
CC(=O)NCCNC(=O)C1([NH3+])CCCCC1,C36746452_decoy,GLCM,Decoy,0,-7.60914,-6.63,-1.04,-7.15659382129223
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC1=O,C37019209_decoy,GLCM,Decoy,0,-6.98693,-5.69,-1.22,-5.977605902916017
CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(N)=O)CC1,C37268561_decoy,GLCM,Decoy,0,-5.88867,-6.39,-1.71,-6.072863117184226
NC(=O)N1CCC([NH2+][C@@H]2CCCCNC2=O)CC1,C37282820_decoy,GLCM,Decoy,0,-6.31795,-7.03,-0.9,-6.314927567168974
C/C(CSc1nnnn1C1CC1)=C(/N)[NH3+],C36681403_decoy,GLCM,Decoy,0,-7.05489,-5.85,-2.43,-6.60944061642125
Nc1n[nH]cc1S(=O)(=O)N[C@@H]1C[NH+]2CCC1CC2,C37557581_decoy,GLCM,Decoy,0,-6.45494,-7.35,-1.11,-5.116088403418074
CN(CC(N)=O)C(=O)c1ccc(C#CC[NH3+])cc1F,C37571405_decoy,GLCM,Decoy,0,-5.9368,-5.39,-1.07,-4.501899160019394
CC(C)[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(N)=O,C37799395_decoy,GLCM,Decoy,0,-6.85799,-6.34,-3.65,-7.263097616824128
CCC(=O)N1CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)CC1,C38101557_decoy,GLCM,Decoy,0,-8.22438,-6.9,-1.25,-8.426132644801465
Cn1cc(N)cc1C(=O)N1CCC[NH+](CC(N)=O)CC1,C40331884_decoy,GLCM,Decoy,0,-5.69342,-7.06,-0.33,-6.425986119608767
C[C@@H](O)[C@@H]([NH3+])c1n[nH]c(C2CCCCC2)n1,C41058858_decoy,GLCM,Decoy,0,-7.73368,-6.41,-1.84,-7.970563511189969
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(C)(C)C[NH3+],C44752203_decoy,GLCM,Decoy,0,-6.66629,-5.07,-3.48,-4.232877974118792
CC1(NC(=O)C(=O)NCC[NH3+])CCCCC1,C45036195_decoy,GLCM,Decoy,0,-7.41147,-5.97,-0.73,-7.024646102754642
C[C@@H]1CN(CC[C@](C)([NH3+])C(N)=O)[C@H](C)CO1,C45269083_decoy,GLCM,Decoy,0,-7.73217,-7.2,-1.85,-9.95079394821135
NC(=O)[C@@](N)(Cn1cc[nH+]c1)c1ccccc1,C45431897_decoy,GLCM,Decoy,0,-6.32498,-6.35,-2.29,-5.064922098744621
Cc1nn(CC[C@@](C)([NH3+])C(N)=O)c(C)c1C,C45458818_decoy,GLCM,Decoy,0,-7.2909,-6.12,-0.43,-9.42371320663264
C[C@H]1CN(CC[C@](C)([NH3+])C(N)=O)CC(C)(C)O1,C45709601_decoy,GLCM,Decoy,0,-7.81675,-6.72,-1.21,-5.736585486780708
CC(C)CNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C1,C50243229_decoy,GLCM,Decoy,0,-7.45457,-4.75,-1.25,-4.679867505483803
[NH3+][C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)NC(=O)NC2=O,C50462894_decoy,GLCM,Decoy,0,-6.43213,-7.1,-0.03,-4.362868651496851
NC(=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[NH3+])CC1,C50463115_decoy,GLCM,Decoy,0,-7.32748,-6.22,-0.3,-7.017108182123354
C[C@@H]1[C@@H](C)CCCN1C(=O)[C@H]([NH3+])CC(N)=O,C50565430_decoy,GLCM,Decoy,0,-6.51645,-6.59,-2.52,-4.7178649238595
Cc1nnc(SC[C@@](C)([NH3+])C(N)=O)o1,C51039002_decoy,GLCM,Decoy,0,-7.80747,-6.32,-1.29,-7.097025215923705
NNc1cc(C[NH+]2CCC(CO)CC2)ccn1,C52723190_decoy,GLCM,Decoy,0,-7.38536,-6.8,-1.49,-5.538717813552426
CO[C@H]1C[NH2+]C[C@H]1Nc1nccnc1C(N)=O,C54399021_decoy,GLCM,Decoy,0,-6.61489,-5.19,-0.25,-4.610912949975688
CC(=O)NCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+],C55087286_decoy,GLCM,Decoy,0,-6.33002,-6.17,-0.68,-6.419552522165739
C[C@H]1CCC[C@H](C(=O)N(C)CC(N)=O)[C@@H]1[NH3+],C55127103_decoy,GLCM,Decoy,0,-6.58821,-6.33,-1.02,-6.944455533813939
[NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCCNC1=O,C55131425_decoy,GLCM,Decoy,0,-6.5403,-7.69,-1.0,-10.031266745442895
C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N[C@@H]1CCCNC1=O,C55131464_decoy,GLCM,Decoy,0,-7.51359,-6.92,-0.21,-6.834245941504627
C[C@H](C[NH+]1CCCCC1)NC(=O)c1n[nH]c(N)n1,C55165150_decoy,GLCM,Decoy,0,-6.70258,-6.91,-1.03,-9.094004004170548
NC(=O)C[NH+]1CCCN(C(=O)c2csc(N)n2)CC1,C55187876_decoy,GLCM,Decoy,0,-5.93384,-6.57,-1.57,-4.590212718266054
CNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CC([NH3+])C2,C40750411_decoy,GLCM,Decoy,0,-7.34228,-7.03,-1.01,-10.049321186547774
C[C@@H](C[NH3+])C(=O)N1CCC(CC(N)=O)CC1,C44807283_decoy,GLCM,Decoy,0,-6.92011,-4.16,-1.71,-4.054592950460836
NC(=O)NC(=O)C[NH+]1CCC[C@@H]1[C@H]1CCCN1,C51360056_decoy,GLCM,Decoy,0,-7.81875,-7.37,-0.34,-5.730512277426015
C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@@H]1[C@@H]1CCCN1,C51360172_decoy,GLCM,Decoy,0,-7.18087,-6.77,-2.25,-7.916604042660272
Cc1ccc(CNc2[nH]c(C)[nH+]c2N)cn1,C62052351_decoy,GLCM,Decoy,0,-6.1171,-6.77,-3.78,-4.408688811464978
Nc1cc(C[NH+]2CCNC(=O)CC2)ccc1O,C62099649_decoy,GLCM,Decoy,0,-7.40488,-7.47,-0.47,-6.880977859759138
NC(=O)[C@@H]([NH3+])CCN1CCO[C@@H]2CCCC[C@H]21,C62524782_decoy,GLCM,Decoy,0,-7.8354,-6.31,-2.87,-5.038400483743606
C[C@@H]1CN(CC[C@H]([NH3+])C(N)=O)CC(C)(C)O1,C62527751_decoy,GLCM,Decoy,0,-8.09153,-6.3,-1.15,-11.524630251474695
C[C@H]1CN(CC[C@H]([NH3+])C(N)=O)CC(C)(C)O1,C62527754_decoy,GLCM,Decoy,0,-7.98563,-6.37,-0.59,-7.628683044973337
C[NH2+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cc[nH]n1,C62776241_decoy,GLCM,Decoy,0,-5.6112,-5.85,-1.76,-5.0612144219392174
C[C@H]1CN[C@@H](C(=O)N2CCC(C(N)=O)CC2)C[NH2+]1,C62813931_decoy,GLCM,Decoy,0,-6.66203,-7.25,-0.44,-7.0490100124836745
C[C@@H]1CN[C@H](C(=O)N[C@@H]2CCCNC2=O)C[NH2+]1,C62815484_decoy,GLCM,Decoy,0,-7.51777,-7.56,-0.48,-6.022052679448017
[NH3+][C@H]1CCC[C@@H]1NC(=O)c1ccc[nH]c1=O,C63173585_decoy,GLCM,Decoy,0,-6.65343,-7.34,-0.06,-7.098205735699114
C[C@H]([NH3+])c1n[nH]c(Cc2nc(-c3ccccc3)n[nH]2)n1,C67641910_decoy,GLCM,Decoy,0,-6.83061,-7.51,-0.31,-6.763674883533374
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C,C04073870_decoy,GLCM,Decoy,0,-9.62343,-6.3,-2.0,-5.216366390754979
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl,C03176588_decoy,GLCM,Decoy,0,-8.13213,-6.56,0.11,-6.42154407058156
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1O,C00677416_decoy,GLCM,Decoy,0,-8.79802,-7.77,-1.38,-7.232817336548947
Cc1sc2c(c1C)C(=O)N[C@H](c1cccc(OC(=O)c3cccs3)c1)N2,C04525413_decoy,GLCM,Decoy,0,-9.30104,-6.37,-2.5,-6.524860287325227
CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(CC)s1,C01431756_decoy,GLCM,Decoy,0,-8.69381,-5.84,-1.93,-4.347942366730762
Cc1sc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2c1C,C05237748_decoy,GLCM,Decoy,0,-9.02899,-6.11,-2.8,-5.46769555273668
C[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1cc(Cl)cc(Cl)c1,C05238020_decoy,GLCM,Decoy,0,-8.05472,-7.64,-1.19,-6.74258613874163
O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)Nc2ccccc21,C09471197_decoy,GLCM,Decoy,0,-8.18285,-6.85,-2.26,-7.112737965434746
Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1F,C10260909_decoy,GLCM,Decoy,0,-7.37339,-6.66,-3.48,-5.002873962547563
COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C)cc1,C11116898_decoy,GLCM,Decoy,0,-7.9592,-6.36,-4.62,-6.21309467884294
O=C([O-])[C@@H](c1c[nH]c2cccc(Cl)c12)[NH+]1CCN(c2ccc(Cl)cc2)CC1,C12321852_decoy,GLCM,Decoy,0,-6.33177,-6.83,-1.1,-7.080003435553831
CN1C(=O)N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F,C12560859_decoy,GLCM,Decoy,0,-6.36149,-6.81,-1.02,-4.319776936170889
COc1cc(OC)cc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CCCC4)c1,C12821935_decoy,GLCM,Decoy,0,-7.53282,-5.49,-2.58,-4.178958115878117
O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2ccccc2c1,C12521521_decoy,GLCM,Decoy,0,-5.10651,-8.05,-2.45,-4.667415639472406
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)cc2C1,C14889937_decoy,GLCM,Decoy,0,-6.96899,-6.69,-1.92,-6.4853474264450055
COc1ccc(-c2n[nH]cc2CN2CCc3c([nH]c4ccccc34)C2)cc1F,C19229045_decoy,GLCM,Decoy,0,-5.68091,-7.13,-3.5,-5.187451556411175
Cc1cc(C)c2[nH]c(C)c(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)c2c1,C19717693_decoy,GLCM,Decoy,0,-7.0589,-8.44,-1.89,-5.936760682530832
O=C1C[C@H](C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc2N1,C25002281_decoy,GLCM,Decoy,0,-7.10151,-9.85,-1.78,-7.70669848156236
O=C(Nc1cnn(Cc2cccc(F)c2)c1)Nc1ccccc1C(F)(F)F,C28220489_decoy,GLCM,Decoy,0,-5.91073,-6.69,-2.4,-4.692615494465154
Nn1c(SCc2ccc(Cl)nc2)nnc1-c1ccccc1Br,C31643958_decoy,GLCM,Decoy,0,-7.93726,-8.09,-1.96,-6.976269065200229
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)cc1Cl,C32788635_decoy,GLCM,Decoy,0,-8.53481,-8.41,-2.08,-7.819543929268126
CC(C)[C@H](NC(=O)Nc1cc(F)ccc1F)C(=O)N1CCc2ccccc21,C33127579_decoy,GLCM,Decoy,0,-6.13637,-7.64,-4.09,-5.184427366531271
CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)C(=O)N1CCc2ccccc21,C33127598_decoy,GLCM,Decoy,0,-6.1645,-5.85,-2.38,-5.809419639517271
Cc1ccc2[nH]c3c(SCC(=O)Nc4cc(F)ccc4F)ncnc3c2c1,C33172515_decoy,GLCM,Decoy,0,-7.84942,-7.61,-4.77,-5.397778835594315
CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CCCC1=O)N2,C33810157_decoy,GLCM,Decoy,0,-9.74335,-7.75,-0.93,-8.890657964768469
CCCN1CC=C2[C@H](C1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)C2(C#N)C#N,C36042391_decoy,GLCM,Decoy,0,-8.11198,-6.51,-4.96,-5.10425455733975
O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl,C36689269_decoy,GLCM,Decoy,0,-7.04464,-8.36,-3.83,-5.279356158854091
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC,C00861125_decoy,GLCM,Decoy,0,-6.63183,-8.31,-2.39,-6.003702374789914
Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc(O)c(Br)c2)c1,C40851276_decoy,GLCM,Decoy,0,-7.3156,-7.2,-0.61,-5.301171474055602
CC(C)=NNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2,C44453022_decoy,GLCM,Decoy,0,-8.23237,-6.64,-1.75,-5.346268457354113
Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1,C36646174_decoy,GLCM,Decoy,0,-8.0236,-7.13,-3.22,-6.5975755031970165
Cc1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)S2)c(C)c1,C44827070_decoy,GLCM,Decoy,0,-7.56784,-9.04,-3.71,-5.760552938942075
COc1cc(Br)c(NC(=O)N[C@H]2CCc3ccccc32)cc1OC,C54483638_decoy,GLCM,Decoy,0,-7.28057,-7.84,-1.41,-7.269597685774674
CNC(=O)c1cccc(NC(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C,C57211818_decoy,GLCM,Decoy,0,-6.51958,-6.34,-3.12,-5.1260795062199005
C[C@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccc(Cl)c(Cl)c1,C58054439_decoy,GLCM,Decoy,0,-7.02879,-7.47,-3.93,-5.533001135308694
Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1ccc(Cl)c(Cl)c1,C24235360_decoy,GLCM,Decoy,0,-9.04437,-7.37,-2.83,-5.442946817401047
C[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl,C30980549_decoy,GLCM,Decoy,0,-7.93567,-6.83,-2.1,-5.152720600999442
Cc1ccccc1/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S1,C05533741_decoy,GLCM,Decoy,0,-7.61811,-7.35,-4.02,-5.634666577937974
O=C1C[C@@H](C(=O)Nc2ccccc2Oc2cccc(F)c2)c2ccccc2N1,C59920649_decoy,GLCM,Decoy,0,-6.52862,-9.41,-4.17,-6.736470178043566
COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2)c1[C@H]1C(=O)Nc2ccccc21,C36360290_decoy,GLCM,Decoy,0,-7.25324,-7.96,-2.63,-7.121628470787075
O=C1N/C(=N/N=C/c2ccccc2O)S[C@@H]1Cc1cccc(Cl)c1Cl,C12843853_decoy,GLCM,Decoy,0,-7.77724,-8.53,-3.33,-5.874422641013074
CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1Cl,C06265240_decoy,GLCM,Decoy,0,-9.93557,-6.46,-1.61,-5.39719706568663
O=C(CN1C(=O)C2=C(CCC2)Nc2ccccc21)Nc1ccccc1C(F)(F)F,C64869105_decoy,GLCM,Decoy,0,-6.82804,-7.98,-1.87,-5.359940917531009
CO[C@@H](C)C(=O)Nc1cccc(/N=C/c2cc(Br)ccc2O)c1,C64925383_decoy,GLCM,Decoy,0,-7.18989,-8.24,-2.27,-7.077583238524673
Cc1ccc(SCC2=NN=C3OC(N)=C(C#N)[C@H](c4ccccc4F)[C@H]23)cc1,C06813162_decoy,GLCM,Decoy,0,-6.38704,-7.37,-1.02,-4.564025831636948
N#CC1=C(N)OC2=NN=C(CSc3ccccc3)[C@H]2[C@@H]1Cc1ccccc1,C00804029_decoy,GLCM,Decoy,0,-8.36028,-7.97,-3.96,-6.0090737890096495
Clc1ccc(-c2csc(N/N=C\c3n[nH]cc3Br)n2)cc1,C66343673_decoy,GLCM,Decoy,0,-7.63112,-7.52,-0.71,-6.309209993710176
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1,C66955465_decoy,GLCM,Decoy,0,-8.28798,-5.93,-2.69,-5.7871957470483295
O=C(CC1CCCC1)NC1CCN(C(=O)N[C@@H]2CCc3ccccc3C2)CC1,C66977978_decoy,GLCM,Decoy,0,-6.66612,-8.76,-2.35,-6.728522355577307
CC1=C(C(=O)N(C)c2ccccc2)[C@@H](c2csc(C(C)C)n2)NC(=S)N1,C67028887_decoy,GLCM,Decoy,0,-7.82775,-6.89,-1.74,-5.609530994657033
CN1C(=O)N/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O,C04741128_decoy,GLCM,Decoy,0,-6.10707,-7.29,-2.48,-4.537370625959708
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(Cl)=CC[C@H]1C(=O)[O-],C04918921_decoy,GLCM,Decoy,0,-5.90697,-6.65,-3.52,-4.3143586082168985
COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(/C)C(=O)[O-])OC2=O)[C@@]3(O)CC1,C05132160_decoy,GLCM,Decoy,0,-8.03493,-8.59,-0.67,-5.766760735201813
O=C([O-])/C(=C/c1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2,C05731965_decoy,GLCM,Decoy,0,-7.87712,-6.75,-4.54,-7.198439199191104
Cc1cc(O[C@@H](C)C(=O)NCCC(=O)[O-])c2c3c(c(=O)oc2c1)CCCC3,C02114931_decoy,GLCM,Decoy,0,-4.87149,-6.78,-4.04,-3.9576250524216414
COc1cccc([C@H]2C(C(=O)[O-])=C(CO)Oc3cc4c(cc32)OCO4)c1,C06424651_decoy,GLCM,Decoy,0,-7.12211,-6.31,-1.48,-5.762439220996945
O=C([O-])COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c(O)c1,C08048259_decoy,GLCM,Decoy,0,-6.89,-7.66,-3.6,-5.273911719930856
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1SC(F)F,C09112495_decoy,GLCM,Decoy,0,-5.70963,-5.76,-3.27,-3.752211265661927
C[C@H](C(=O)Nc1ccc(F)c(F)c1F)n1nc(C(=O)[O-])c2ccccc2c1=O,C10862816_decoy,GLCM,Decoy,0,-6.43203,-7.54,-3.29,-6.5041671038362985
Cc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])n1C,C13035830_decoy,GLCM,Decoy,0,-7.2224,-6.79,-2.27,-7.71875755442997
CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C,C13087292_decoy,GLCM,Decoy,0,-6.17699,-7.05,-5.56,-5.224142786326532
O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Cl,C13172714_decoy,GLCM,Decoy,0,-7.07556,-7.08,-4.48,-5.574233422161721
COc1cc(NC(=O)c2oc3ccc(F)cc3c2C)c(C(=O)[O-])cc1OC,C13260940_decoy,GLCM,Decoy,0,-5.11441,-7.73,-1.73,-6.162321775225971
C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2,C13332808_decoy,GLCM,Decoy,0,-6.10615,-6.53,-3.32,-6.119180762605797
Cn1cnnc1SCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-],C13356446_decoy,GLCM,Decoy,0,-6.89216,-6.48,-1.97,-5.402457977415795
COc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2C(=O)[O-])cc1,C19850089_decoy,GLCM,Decoy,0,-5.82856,-6.11,-1.49,-4.621256983041353
Cc1ccccc1-c1nc(SCC(=O)NC(C)C)n2nc([O-])cc2n1,C21911249_decoy,GLCM,Decoy,0,-7.70976,-2.5,-3.66,-3.2086076287237177
Cc1cc(C)c(NC(=O)CSc2nnc3nc([O-])c4c(n23)CCC4)c(C)c1,C23872775_decoy,GLCM,Decoy,0,-7.4062,-8.47,-1.81,-8.537676808675686
O=C(CSc1nnc2nc([O-])c3c(n12)CCC3)NCc1ccccc1Cl,C23872867_decoy,GLCM,Decoy,0,-7.01031,-5.89,-3.17,-5.805451663466887
O=C([O-])COc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1,C25539237_decoy,GLCM,Decoy,0,-6.93027,-5.87,-1.9,-4.439658346035771
Cc1cc([O-])nc(S[C@@H](C)C(=O)N[C@@H](C)c2cnn(-c3ccccc3)c2)n1,C32577731_decoy,GLCM,Decoy,0,-7.54221,-6.61,-2.8,-6.9968849532294985
Cc1cc([O-])nc(-n2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)n1,C35598405_decoy,GLCM,Decoy,0,-6.28344,-7.35,-2.45,-6.945373984545448
CCSc1nnc(/N=C(\[O-])C2=NN=C(c3ccc(C)cc3O)C2)s1,C06791165_decoy,GLCM,Decoy,0,-6.16721,-8.08,-2.72,-5.738534779013801
Cc1cc([O-])nc(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)n1,C39772471_decoy,GLCM,Decoy,0,-6.4368,-6.56,-3.09,-5.190736240434439
O=C1CS/C(=N\N=C\c2ccc(-c3cc(Cl)ccc3C(=O)[O-])o2)N1,C39932641_decoy,GLCM,Decoy,0,-7.34885,-5.81,-2.46,-4.826103147214557
Cc1cc(C)c2c(=O)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])coc2c1,C44295829_decoy,GLCM,Decoy,0,-5.61889,-7.98,-2.17,-5.101609151350237
COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1,C40310248_decoy,GLCM,Decoy,0,-7.05271,-5.55,-2.95,-5.5276343495097215
COc1cccc(NC(=O)/C(C#N)=C(/[O-])c2ccc3c(c2)CCN3C(C)=O)c1,C50640731_decoy,GLCM,Decoy,0,-7.29959,-7.84,-0.89,-5.580897411518287
Cn1cc(-c2nc(/C([O-])=C(\C#N)C(=O)NC3CCCCC3)cs2)cn1,C50685337_decoy,GLCM,Decoy,0,-8.59276,-8.01,-1.0,-5.688204446381616
COc1ccc(N2C(=O)C[C@H](Nc3cccc(/C=C/C(=O)[O-])c3)C2=O)cc1,C40827258_decoy,GLCM,Decoy,0,-6.80267,-6.49,-0.87,-4.552277748821408
Cc1oc(-c2cccs2)nc1/C([O-])=C(/C#N)C(=O)Nc1ccccn1,C54731656_decoy,GLCM,Decoy,0,-7.45,-6.79,-2.5,-6.275382867708283
CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,C57125653_decoy,GLCM,Decoy,0,-6.64598,-8.17,-2.2,-5.212204661832529
O=C(CSc1nc2[nH]c(=O)cc([O-])c2s1)c1ccc2c(c1)OCO2,C06677983_decoy,GLCM,Decoy,0,-8.68044,-7.46,-3.04,-5.6249833603515285
C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1[O-])c1cccc([N+](=O)[O-])c1,C58280372_decoy,GLCM,Decoy,0,-4.97474,-6.35,-1.3,-5.086743593616126
COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cc1OC,C60800437_decoy,GLCM,Decoy,0,-7.07246,-7.26,-3.56,-5.345273125151795
C[C@@H](COc1ccc(F)cc1)NC(=O)c1cccc(-n2nc([O-])ccc2=O)c1,C61412765_decoy,GLCM,Decoy,0,-5.38139,-8.09,-1.24,-4.714325011518234
CC(=O)C/C([O-])=N/C(=N/c1ccc(C)c(Cl)c1)Nc1nc(C)cc(C)n1,C04862994_decoy,GLCM,Decoy,0,-7.1577,-5.4,-2.35,-4.366239880513439
COc1cccc(N/C([O-])=C(\C#N)C(=O)c2ccn(-c3cccc(F)c3)n2)c1,C63235581_decoy,GLCM,Decoy,0,-6.86463,-8.7,-4.55,-5.722867480218309
COc1cccc(C2=NN=C3N=C(c4cccc(O)c4)C=C(C(=O)[O-])[C@@H]32)c1,C13363582_decoy,GLCM,Decoy,0,-6.04353,-8.55,-1.05,-6.714364382756292
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(C#N)cc2)CC(O)=N3)cc1,C40284034_decoy,GLCM,Decoy,0,-7.74234,-6.25,-1.17,-4.870804960439925
CC/C(NN1CCCCCC1)=C1/C(=O)N=C([O-])N(c2ccc(C)cc2)C1=O,C09088067_decoy,GLCM,Decoy,0,-7.49009,-5.92,-2.01,-6.116883433565504
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,C64478993_decoy,GLCM,Decoy,0,-6.76718,-6.19,-3.15,-4.336510242674067
Cc1nc2n(c1/C=C/C([O-])=N/c1nc(-c3ccccc3)n[nH]1)C[C@H](C)S2,C39736666_decoy,GLCM,Decoy,0,-9.16257,-8.85,-1.74,-16.13349968361171
CCn1c([O-])c2ccc(C(=O)Nc3cc(C)nn3C(C)(C)C)cc2nc1=S,C50609092_decoy,GLCM,Decoy,0,-8.19844,-6.73,-1.46,-6.30035980148522
COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)cs2)c(C)c1,C65129086_decoy,GLCM,Decoy,0,-8.63844,-6.87,-1.61,-8.779274909589745
Cc1c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)cnn1-c1ccc([O-])nn1,C65874533_decoy,GLCM,Decoy,0,-5.35626,-7.56,-2.82,-5.814063309764845
COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)c2c[nH]nc12,C66584049_decoy,GLCM,Decoy,0,-6.54609,-6.36,-2.14,-6.114098890224191
C[C@H](C1CC1)n1nccc1NC(=O)[C@@H](C)n1c([S-])nnc1-c1cccs1,C66660788_decoy,GLCM,Decoy,0,-7.83644,-7.77,-1.34,-6.0151683960487015
CS(=O)(=O)[N-]c1ccc(Nc2nc(-c3ccncc3)nc3c2CCC3)cc1,C66808245_decoy,GLCM,Decoy,0,-7.60366,-6.81,-1.34,-6.737091214532862
Cc1c(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)[nH]c2ccccc12,C67434334_decoy,GLCM,Decoy,0,-6.70683,-8.24,-1.52,-5.582652614973477
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1C,C04227875_decoy,GLCM,Decoy,0,-7.03877,-7.15,-1.04,-4.485102568147119
Cc1ccc(-c2cc(Cc3cccn3-c3ccc(Cl)cc3)c(=O)[nH]n2)cc1,C01032566_decoy,GLCM,Decoy,0,-5.73744,-8.15,-4.6,-4.675373326254272
N#Cc1c(Cl)nc(NN=C2C3CC4CC(C3)CC2C4)c(Cl)c1Cl,C04405265_decoy,GLCM,Decoy,0,-8.9247,-7.45,-2.11,-6.179177804792296
Cc1ccn2c(-c3csc(Nc4cccc(Cl)c4C)n3)c(C)nc2c1,C00888761_decoy,GLCM,Decoy,0,-7.4068,-7.15,-1.56,-5.528410864977482
CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccc4ncccc4c32)cc1,C00718247_decoy,GLCM,Decoy,0,-8.20925,-6.79,0.27,-5.791849655342306
O=c1[nH]c(-c2ccc(-c3cccc(Cl)c3)o2)nc2sc3c(c12)CCCC3,C04663893_decoy,GLCM,Decoy,0,-8.71257,-7.36,-1.05,-5.464799058467549
COc1cccc(C2=C[C@@H](c3ccccc3C)n3c(nc4ccccc43)N2)c1,C02917799_decoy,GLCM,Decoy,0,-7.1091,-7.77,-4.35,-5.6827068097314255
Cc1cccc(Cn2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c3ccccc32)c1,C04738892_decoy,GLCM,Decoy,0,-7.50672,-8.83,-1.94,-6.00459297016759
O=C1c2ccccc2C(=O)c2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc21,C04742493_decoy,GLCM,Decoy,0,-6.6617,-7.68,-4.3,-4.387844816423792
Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1,C01946432_decoy,GLCM,Decoy,0,-6.87563,-7.93,-0.94,-5.048733464825602
O=c1c(Cl)c(Nc2cccc(F)c2)cnn1C12CC3CC(CC(C3)C1)C2,C04924233_decoy,GLCM,Decoy,0,-6.6587,-6.84,-1.34,-4.672730955660915
CC1=C(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)C2(CCCCC2)OC1=O,C05058829_decoy,GLCM,Decoy,0,-7.18528,-8.16,-2.1,-5.486768748918383
COc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1,C05376421_decoy,GLCM,Decoy,0,-7.8589,-7.86,-2.29,-7.498390429156679
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c1,C05376648_decoy,GLCM,Decoy,0,-6.76676,-8.47,-1.52,-6.103763483756879
CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1Nc1ccc(C)cc1C,C06780403_decoy,GLCM,Decoy,0,-7.26363,-7.56,-2.97,-7.438623289277302
Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@@H]3c2ccccc2C)cc1,C13362062_decoy,GLCM,Decoy,0,-6.62343,-5.87,-2.68,-4.889744567358869
Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2,C14709782_decoy,GLCM,Decoy,0,-7.17637,-6.89,-4.09,-5.910279504088379
Cc1c(C(=O)O[C@@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2,C16400704_decoy,GLCM,Decoy,0,-7.34967,-7.94,-1.03,-6.495543316398846
Cc1sc2nc(S)n(-c3cc(C(C)(C)C)ccc3O)c(=O)c2c1C,C17074312_decoy,GLCM,Decoy,0,-8.78886,-6.2,-2.49,-4.501971277317554
Cc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1cccs1)=N2,C06281381_decoy,GLCM,Decoy,0,-8.44461,-5.59,-1.61,-5.823780184513555
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1,C00629523_decoy,GLCM,Decoy,0,-7.50639,-5.78,0.02,-5.692896975237905
Fc1ccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)cc1,C20182029_decoy,GLCM,Decoy,0,-6.76886,-7.75,-2.14,-5.339950866592644
O=[N+]([O-])c1ccccc1[C@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]12,C20713010_decoy,GLCM,Decoy,0,-6.88913,-5.86,-2.67,-3.577325004372143
O=[N+]([O-])c1ccc(F)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2,C20749989_decoy,GLCM,Decoy,0,-6.41668,-5.32,-1.99,-3.0139767673024207
Cc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)c1C,C20796589_decoy,GLCM,Decoy,0,-6.47551,-9.7,-2.28,-8.662088336202082
COc1ccc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc1Br,C21313945_decoy,GLCM,Decoy,0,-8.61585,-5.3,-1.68,-6.196368993587465
CCCNC(=O)N1Cc2c(sc3c2CCCC3)-n2cccc2[C@@H]1C(C)C,C21918924_decoy,GLCM,Decoy,0,-6.58906,-4.82,-2.97,-3.4258974587676443
N#C/C(=N/Nc1ccc(Br)cc1)C(=O)c1ccccc1Cl,C00704313_decoy,GLCM,Decoy,0,-6.59344,-5.84,-1.24,-4.2698711752276735
S=c1[nH]nc(-c2ccccc2)n1/N=C/c1c2ccccc2cc2ccccc12,C02321979_decoy,GLCM,Decoy,0,-5.3496,-7.41,-1.53,-3.965339610344072
Cc1ccc(N[C@@H](C)c2ccc(I)cc2)cc1[N+](=O)[O-],C37298622_decoy,GLCM,Decoy,0,-5.86495,-5.35,-2.22,-4.991489112785224
O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1N=C1CCCCCC1,C04182327_decoy,GLCM,Decoy,0,-7.02145,-6.05,-2.13,-3.546901732922982
C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1,C01634550_decoy,GLCM,Decoy,0,-7.21346,-7.69,-2.87,-5.9168567204873215
N#C/C(C(=O)c1ccc(Oc2ccccc2)cc1)=C1\Nc2ccccc2S1,C04058908_decoy,GLCM,Decoy,0,-7.9383,-8.04,-2.22,-5.30538286155952
O=C1OC(c2ccc(Cl)cc2)=N/C1=C/Nc1ccccc1-c1ccccc1,C06475989_decoy,GLCM,Decoy,0,-6.48122,-6.93,-1.99,-4.708396186973979
CSc1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)n1,C39881214_decoy,GLCM,Decoy,0,-9.46381,-7.22,-1.75,-10.354395598305825
CC1=CC2=N[C@H](/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)N[C@H]2C=C1,C39963446_decoy,GLCM,Decoy,0,-8.14912,-8.34,-2.08,-5.545007475217477
Cc1nn(-c2cccc(Cl)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,C40918210_decoy,GLCM,Decoy,0,-7.52013,-7.25,-1.72,-4.801523749550556
COc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1,C43013453_decoy,GLCM,Decoy,0,-6.94844,-5.72,-1.12,-4.424958824783488
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(/C(C)=N\O)=CC[C@H]32)C1,C43861837_decoy,GLCM,Decoy,0,-8.13974,-7.0,-1.22,-5.738330866063595
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2[nH]1,C33926856_decoy,GLCM,Decoy,0,-6.92592,-8.02,-1.29,-7.434701050285886
COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)ccc1O,C01233843_decoy,GLCM,Decoy,0,-8.62063,-6.02,-1.68,-5.884711889367368
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C/C=C/c2ccccc2)CC1,C55082731_decoy,GLCM,Decoy,0,-7.27846,-7.41,-1.3,-5.763487061155285
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2,C58929046_decoy,GLCM,Decoy,0,-6.66782,-6.02,-4.05,-3.7530274789465454
O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2,C58929108_decoy,GLCM,Decoy,0,-6.26289,-6.28,-4.23,-4.091864885933754
C#CCn1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc21,C05827658_decoy,GLCM,Decoy,0,-6.9483,-7.29,-1.3,-5.835484295453691
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3F)c2C)c1,C59426994_decoy,GLCM,Decoy,0,-6.98402,-8.14,-2.5,-7.330902565833557
Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)c1,C16268989_decoy,GLCM,Decoy,0,-7.46013,-6.97,-2.74,-4.467970025745833
CC(C)Oc1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1,C03999941_decoy,GLCM,Decoy,0,-8.38463,-6.66,-1.86,-6.147997460108781
Cc1ccc(-c2csc3c(=O)[nH]c(N4CCc5ccccc5C4)nc23)cc1,C64611569_decoy,GLCM,Decoy,0,-7.67517,-7.12,-4.82,-5.663292182012762
c1ccc2c(c1)NC1(CCCCC1)N=C2SCc1ccc2c(c1)OCCO2,C67341483_decoy,GLCM,Decoy,0,-7.55151,-7.67,-1.67,-5.252063051371083
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@H](C(=O)[O-])c1ccccc1,C02091804_decoy,GLCM,Decoy,0,-6.07105,-6.68,-2.4,-5.300529137971324
COC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-],C02486648_decoy,GLCM,Decoy,0,-6.6305,-5.38,-1.22,-4.92211992664895
CCc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(OCC(=O)[O-])cc2)cc1,C04576392_decoy,GLCM,Decoy,0,-7.55942,-5.83,-4.19,-6.273244748929431
COc1ccc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1,C05742212_decoy,GLCM,Decoy,0,-7.38906,-6.91,-2.69,-7.231613976841368
Cc1c(CC(=O)NCCC(=O)[O-])c(=O)oc2cc3c(cc12)CCC(C)(C)O3,C08879447_decoy,GLCM,Decoy,0,-7.19936,-6.4,-3.6,-7.083814278435557
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-],C12752518_decoy,GLCM,Decoy,0,-7.03015,-7.26,-1.53,-5.498598174798336
Cc1ccc(-c2nnc(S[C@H]3CCCCNC3=O)n2CCC(=O)[O-])cc1,C12786574_decoy,GLCM,Decoy,0,-8.14318,-6.81,-4.49,-8.290754896483197
C[C@@H](O)Cn1c(SCC(=O)C(C)(C)C)nc2cc(C(=O)[O-])ccc2c1=O,C13051080_decoy,GLCM,Decoy,0,-7.81031,-6.05,-1.67,-5.332010223309667
C[C@H](O)Cn1c(SCc2ccccc2C#N)nc2cc(C(=O)[O-])ccc2c1=O,C13052332_decoy,GLCM,Decoy,0,-6.62276,-8.1,-1.56,-5.161358885374415
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1OC,C13076649_decoy,GLCM,Decoy,0,-7.20812,-8.11,-2.46,-6.205643721657332
C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1CC(=O)[O-],C13203414_decoy,GLCM,Decoy,0,-6.50761,-7.2,-4.1,-5.1427986898428
O=C([O-])c1cc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1F,C13251262_decoy,GLCM,Decoy,0,-6.46465,-6.57,-1.76,-4.910310534857224
CCNC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccccc1F,C13267156_decoy,GLCM,Decoy,0,-7.21571,-6.66,-2.14,-5.249696312637975
CCOc1cc2c(cc1CNS(=O)(=O)c1cc(C(=O)[O-])cs1)O[C@H](C)C2,C13315347_decoy,GLCM,Decoy,0,-8.71283,-6.71,-3.73,-7.481394337453067
C[C@H]1Cc2cc(C(=O)NCc3ccc(C(=O)[O-])cc3)ccc2N1S(C)(=O)=O,C13317175_decoy,GLCM,Decoy,0,-6.98557,-5.86,-1.48,-4.296644794691236
Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnc(C(F)(F)F)n1C,C13345540_decoy,GLCM,Decoy,0,-7.58536,-8.2,-3.85,-5.957662354759778
O=C(CN1C(=O)S/C(=C/c2cccc(C(=O)[O-])c2)C1=O)Nc1ccccc1,C15008612_decoy,GLCM,Decoy,0,-7.2173,-7.86,-2.67,-6.45873769000025
Cc1cc(O)ccc1N1C(=O)S/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C1=O,C16907035_decoy,GLCM,Decoy,0,-8.80688,-7.17,-3.18,-7.047748909802736
COc1ccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1,C16994701_decoy,GLCM,Decoy,0,-6.74927,-5.97,-3.24,-4.775387602897325
COc1ccc(C2=C(C)C([N-]c3ccc(NC(C)=O)cc3)=NS2(=O)=O)cc1,C20901005_decoy,GLCM,Decoy,0,-7.41791,-6.68,-2.6,-6.543133522394688
CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N=C2[O-])cc1OC,C27532007_decoy,GLCM,Decoy,0,-7.19582,-5.14,-1.33,-6.314117126638334
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(OCc3ccccc3)cc2)NC1=O,C27551963_decoy,GLCM,Decoy,0,-8.51896,-8.3,-2.19,-9.51692170207311
CCN1C(=O)N[C@@H](c2ccccc2C(F)(F)F)C2=C1CN(CCC(=O)[O-])C2=O,C35842129_decoy,GLCM,Decoy,0,-6.97261,-8.53,-2.25,-6.069288793728354
COc1ccc(N2C([S-])=C(C#N)C(=O)N[C@H]2c2ccc(OC)c(OC)c2)cc1,C00818301_decoy,GLCM,Decoy,0,-7.31472,-5.71,-2.71,-5.865141378731042
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cc1OC,C00866001_decoy,GLCM,Decoy,0,-8.03122,-5.58,-2.07,-4.745977897760148
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3CC[C@H]2O3)sc2c1CCCC2,C04179644_decoy,GLCM,Decoy,0,-8.24417,-7.7,-0.97,-6.12809500920864
CCOC(=O)N[C@@]1(C(F)(F)F)N=C([O-])N(c2cccc(C(F)(F)F)c2)C1=O,C03626850_decoy,GLCM,Decoy,0,-4.62048,-8.03,-0.51,-5.085765882413389
CC[C@H](Sc1nnc(C)c([O-])n1)C(=O)N[C@@H]1SC2=C(CCCC2)[C@H]1C#N,C39582238_decoy,GLCM,Decoy,0,-6.84372,-6.22,-1.85,-4.952300912619162
CCOc1cc(/C=C(C#N)/C([O-])=N/c2nnc(CC(C)C)s2)ccc1O,C39994793_decoy,GLCM,Decoy,0,-8.06907,-7.76,-2.7,-9.252969091463044
CCOc1ccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2cccc(OC)c2OC)cc1C,C40123640_decoy,GLCM,Decoy,0,-6.90479,-5.54,-2.21,-4.607520222006016
O=S(=O)(NCc1nc(-c2ccc3nc([O-])oc3c2)cs1)c1cccs1,C41263169_decoy,GLCM,Decoy,0,-8.59973,-9.15,-2.82,-6.352840079627026
Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1n[n-]c(C(F)(F)F)n1,C45947004_decoy,GLCM,Decoy,0,-6.0927,-6.62,-2.03,-4.674284007660055
CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(C(=O)[O-])n2-c2ccccc2)c1C,C13089898_decoy,GLCM,Decoy,0,-5.43736,-6.97,-2.38,-4.551737089224753
O=C([O-])CCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O,C13221128_decoy,GLCM,Decoy,0,-6.44303,-6.36,-2.12,-5.539383001028078
CC(C)c1ccc(CN(C(=O)c2cnc3nc([O-])[nH]c(=O)c3c2)C2CC2)cc1,C47403591_decoy,GLCM,Decoy,0,-6.77129,-6.98,-2.01,-5.295203698544187
COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c(OC)c1,C40309315_decoy,GLCM,Decoy,0,-7.6615,-6.13,-3.44,-4.8045298941844
COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c1,C40309339_decoy,GLCM,Decoy,0,-6.10501,-5.58,-3.33,-3.851326280080716
COc1cccc(N/C([O-])=C(\C#N)C(=O)/C=C/c2c(Cl)nc3ccccn23)c1,C50641920_decoy,GLCM,Decoy,0,-7.17517,-7.81,-2.07,-5.094248708984049
CO/N=C\c1ccc(C(=O)/C(C#N)=C(\[O-])Nc2ccc(OC)c(Cl)c2)cc1,C50975119_decoy,GLCM,Decoy,0,-7.70827,-8.25,-1.46,-5.970984181073106
CN(C/C([O-])=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)C(=O)c1ccco1,C50980546_decoy,GLCM,Decoy,0,-6.24192,-8.44,-3.79,-7.550402420025455
COc1ccc(-c2nnc([S-])n2CC(=O)NCc2ccc(N(C)C)cc2)cc1,C18215400_decoy,GLCM,Decoy,0,-7.29502,-5.71,-2.37,-5.012566142596694
CCCc1nnc([S-])n1CC(=O)N[C@@H](C)c1cc2cccc(OC)c2o1,C25191809_decoy,GLCM,Decoy,0,-5.61002,-8.01,-2.22,-5.004240060073266
N#C/C(C(=O)c1ccc(COc2ccc(F)cc2)o1)=C(/[O-])Nc1ccccn1,C54729927_decoy,GLCM,Decoy,0,-6.59854,-6.56,-1.93,-4.724604815465638
CN(CC(=O)NC(C)(C)C)C(=O)CCn1c([S-])nnc1-c1ccc(F)cc1,C61058619_decoy,GLCM,Decoy,0,-7.87355,-6.38,-2.61,-5.467851264035149
O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N[C@@H](C(=O)[O-])c1ccccc1,C61720180_decoy,GLCM,Decoy,0,-6.58885,-6.18,-2.96,-5.672226461369033
COc1ccc(NC(=O)/C(C#N)=C(\[O-])Cc2cn(C)c3ccccc23)cc1OC,C62676043_decoy,GLCM,Decoy,0,-7.37183,-8.53,-2.32,-6.457961062576856
Cc1nc(/C([O-])=C(\C#N)C(=O)NCc2ccccc2)nn1-c1ccccc1Cl,C64101091_decoy,GLCM,Decoy,0,-6.55138,-7.36,-4.82,-6.473557837422006
COc1ccc([C@H]2CC(O)=Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1OC,C40309803_decoy,GLCM,Decoy,0,-8.1229,-6.82,-1.56,-5.18675298104229
CCCn1c(=O)[nH]c2cc(S(=O)(=O)/N=C(\[O-])[C@@H]3C[C@@H]3c3ccccc3)ccc21,C66504180_decoy,GLCM,Decoy,0,-7.01311,-7.14,-2.92,-5.122767267805413
CS[C@H](C)c1cccc(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C)c1,C67344001_decoy,GLCM,Decoy,0,-8.17319,-6.14,-2.94,-5.4365406582626274
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]([NH3+])CC(C)C)C(=O)N[C@@H](C)C(N)=O,C04017021_decoy,GLCM,Decoy,0,-8.46189,-7.18,-3.33,-9.445198066885848
COc1ccc2cc(CN(CCCO)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1,C04133146_decoy,GLCM,Decoy,0,-8.47363,-5.53,-2.49,-9.0803946516543
CCOc1ccc(NC(=O)C[C@@H]([NH2+]CCC[NH+](C)C)C(=O)[O-])c([N+](=O)[O-])c1,C05258766_decoy,GLCM,Decoy,0,-5.89115,-6.91,-3.31,-5.234209844815904
CCOC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C,C06546891_decoy,GLCM,Decoy,0,-8.19233,-6.85,-4.57,-6.1719138967820655
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O,C06631985_decoy,GLCM,Decoy,0,-8.55616,-8.07,-4.67,-8.848479386971045
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,C06631988_decoy,GLCM,Decoy,0,-7.97511,-6.24,-4.64,-5.5906198248310455
COc1ccc(NC(=S)NNC(=O)CSCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,C08648552_decoy,GLCM,Decoy,0,-7.54187,-6.75,-4.28,-6.019657980178303
COc1ccc(C(=O)/C=C/c2cn(C[C@H](O)C[NH2+]CCc3c[nH]c4ccc(OC)cc34)c3ccccc23)cc1,C08757880_decoy,GLCM,Decoy,0,-7.92648,-8.03,-2.59,-6.874067746449412
COC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1,C09396645_decoy,GLCM,Decoy,0,-8.01175,-7.42,-3.43,-6.046005671931122
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(N)=O,C10128383_decoy,GLCM,Decoy,0,-7.06978,-7.51,-3.7,-7.3548784390428095
CCCCn1c(N)c(N(CCOC)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c(=O)[nH]c1=O,C10568622_decoy,GLCM,Decoy,0,-7.85119,-7.65,-4.27,-9.762478283436469
COCCN(C(=O)CNc1ccc(C(=O)OC(C)C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C11725687_decoy,GLCM,Decoy,0,-8.0584,-6.54,-3.96,-7.686804942741129
CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-],C13540464_decoy,GLCM,Decoy,0,-10.3059,-6.06,-2.6,-7.728965828647294
CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-],C13549773_decoy,GLCM,Decoy,0,-9.44138,-6.48,-3.23,-6.6188594338305
[NH3+][C@@](CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)COP(=O)([O-])[O-],C13977769_decoy,GLCM,Decoy,0,-9.27431,-6.95,-1.98,-7.6914010636268255
COc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,C14197873_decoy,GLCM,Decoy,0,-7.90473,-8.01,-3.44,-7.751159194695378
CCCCN(C(=O)C[NH+](C)Cc1ccc(OCC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C16562369_decoy,GLCM,Decoy,0,-9.00512,-6.48,-2.24,-7.697176324319892
CCCC[C@@H](C(=O)OCCCCC[C@H](C)CC)c1c(O)nc(N)nc1O,C16852768_decoy,GLCM,Decoy,0,-7.69694,-6.49,-2.93,-5.94861472910728
CCCCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O,C19535988_decoy,GLCM,Decoy,0,-7.74994,-6.98,-3.36,-8.011312670056393
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)O1)C(C(=O)OCC)=C(N)N(CC(N)=O)c1ccccc12,C20167530_decoy,GLCM,Decoy,0,-8.69177,-6.55,-3.16,-8.589043375119592
C=CCc1cccc(/C=N/Nc2nc(SCCC(=O)Nc3cc(OC)cc(OC)c3)n[nH]2)c1O,C20832682_decoy,GLCM,Decoy,0,-8.8746,-8.09,-4.61,-6.126773429916029
COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3cccc(OC)c3OC)n2N)cc1,C20913314_decoy,GLCM,Decoy,0,-7.7577,-7.25,-3.61,-5.8106909362694825
CCCCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(OC)c(O)c3)n2)c1,C21078620_decoy,GLCM,Decoy,0,-8.36879,-6.95,-2.93,-6.000862773157111
COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3OCc3ccccc3)n2N)cc1,C21320911_decoy,GLCM,Decoy,0,-8.04912,-6.92,-3.83,-6.059418869782075
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1sccc1C(N)=O,C21741708_decoy,GLCM,Decoy,0,-8.07583,-7.37,-2.84,-8.522466480960142
O[C@H](C[NH2+]CCOc1ccccc1OCc1ccccc1)COc1cccc2[nH]c3ccccc3c12,C02540745_decoy,GLCM,Decoy,0,-7.09443,-8.76,-3.54,-6.710044341766783
COc1ccc(OCc2ccccc2)cc1OCC[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c12,C22051184_decoy,GLCM,Decoy,0,-7.86016,-6.97,-2.68,-5.442504435916272
CC(C)[NH+](CCNS(=O)(=O)c1ccc(NCCNc2cnccn2)c([N+](=O)[O-])c1)C(C)C,C23172064_decoy,GLCM,Decoy,0,-6.72189,-7.22,-3.98,-6.664547279047723
CCOC(=O)c1c(NC(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)sc(C)c1CC,C23642090_decoy,GLCM,Decoy,0,-8.18844,-7.63,-3.87,-7.179423723079116
CN(CCOc1ccc(C[C@@H](Nc2ccccc2/C(=N/N)c2ccccc2)C(=O)[O-])cc1)c1cccc[nH+]1,C27556921_decoy,GLCM,Decoy,0,-7.72196,-6.95,-4.35,-7.927664224486326
CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@H]([NH3+])C(=O)[O-])[C@@H](O)CCCC(=O)[O-],C27642993_decoy,GLCM,Decoy,0,-9.9223,-7.04,-4.25,-8.70547933001963
CCN(CCO)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3cccnc3)c2c1,C29412042_decoy,GLCM,Decoy,0,-8.9987,-7.7,-3.76,-7.768984885421052
O[C@H](CNc1ccc(F)cc1)COc1ccc(OC[C@@H](O)CNc2ccc(F)cc2)cc1,C18183089_decoy,GLCM,Decoy,0,-7.89341,-7.09,-2.68,-7.035170655870248
COC(=O)c1ccc([C@@H]([NH2+]CCN2CCOCC2)[C@H](C[NH2+]CCN2CCOCC2)C(=O)[O-])cc1,C35385421_decoy,GLCM,Decoy,0,-9.04889,-7.06,-3.62,-7.883120154006264
CC[C@@H](C)C[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)[C@H]([NH3+])CC(C)C)C(=O)N[C@@H](C)C(N)=O,C06631918_decoy,GLCM,Decoy,0,-8.42473,-7.51,-3.87,-8.384906332305562
OCC[NH+](C[C@H](O)COc1ccccc1)C[C@H](O)COc1ccccc1,C38642513_decoy,GLCM,Decoy,0,-6.53125,-7.65,-1.75,-5.78487829919858
COC(=O)[C@H](CCCCN(C(C)=O)[C@@H](C(=O)NC(C)(C)C)C(C)C)[NH2+][C@H](C(=O)NC(C)(C)C)C(C)C,C38807035_decoy,GLCM,Decoy,0,-8.70946,-6.66,-3.81,-8.412624862636877
CC[C@H](C)CNc1c[nH+]c2c(c1)[C@@H](NC(=O)COC)[C@@H](C(=O)OC)N2CCc1c[nH]c2ccccc12,C39344618_decoy,GLCM,Decoy,0,-8.25572,-6.21,-3.51,-6.180550825089161
COc1cccc([C@@H](C[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)c2c[nH]c3ccccc23)c1OC,C40459140_decoy,GLCM,Decoy,0,-8.19236,-6.84,-1.86,-7.46083907611449
O=C([O-])[C@H](C[NH2+]CCN1CCOCC1)[C@@H]([NH2+]CCN1CCOCC1)c1ccc(Cl)cc1Cl,C43209018_decoy,GLCM,Decoy,0,-9.59624,-7.1,-3.18,-7.829390538267348
CCCCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccc(OC)c2O)n1,C59016908_decoy,GLCM,Decoy,0,-8.25892,-6.51,-4.23,-6.487202460160147
C=CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)s1,C59887921_decoy,GLCM,Decoy,0,-9.46346,-7.12,-4.42,-6.637126393857716
Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2nnc(SCC(C)C)s2)n[nH]1,C59887924_decoy,GLCM,Decoy,0,-9.29088,-6.19,-2.65,-6.573611700226018
CCCc1cc(C(=O)OCC(=O)N(CCCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)[nH]n1,C12559939_decoy,GLCM,Decoy,0,-6.72923,-8.52,-3.82,-7.435443265177715
CCOCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2,C13959897_decoy,GLCM,Decoy,0,-9.38837,-8.24,-4.22,-8.579477983260038
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-],C63350016_decoy,GLCM,Decoy,0,-6.38965,-7.3,-4.55,-6.4113010340803696
CCOC(=O)CC[NH+](CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)CC1CC1,C64569380_decoy,GLCM,Decoy,0,-6.83506,-6.04,-3.34,-7.495563165062123
CCOC(=O)c1c(NC(=O)C[C@@H]([NH2+]CC[NH+](CC)CC)C(=O)[O-])sc2c1CCCC2,C22785899_decoy,GLCM,Decoy,0,-7.31488,-5.84,-2.05,-8.025302873111471
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc(C(=O)NC2CC2)cc1)C(C)C,C66359434_decoy,GLCM,Decoy,0,-8.33688,-6.52,-2.51,-7.84841809053505
COc1ccc(COCCC[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1,C66993644_decoy,GLCM,Decoy,0,-7.46977,-6.48,-2.89,-5.626658273280918
S=C(NCc1ccco1)Nc1cnn(Cn2cc(NC(=S)NCc3ccco3)cn2)c1,C02798549_decoy,GLCM,Decoy,0,-9.7218,-7.27,-2.68,-10.81278489804254
CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O,C04762882_decoy,GLCM,Decoy,0,-9.65013,-6.79,-1.66,-9.198859299253488
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(N)cc2N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C04823492_decoy,GLCM,Decoy,0,-5.1172,-7.15,-2.58,-7.595366371239078
COCCOC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2,C08568454_decoy,GLCM,Decoy,0,-9.6229,-6.54,-1.37,-7.886343700800787
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)CNC(=O)c2cccs2)c(=O)[nH]c1=O,C09127839_decoy,GLCM,Decoy,0,-8.91422,-7.17,-3.53,-7.794185187778295
CCCCn1c(N)c(N(CCC)CC(=O)Nc2ccsc2C(=O)OC)c(=O)[nH]c1=O,C11351072_decoy,GLCM,Decoy,0,-8.86151,-6.72,-4.41,-8.829757655603693
CCCCN(C(=O)CSc1nnc(CCC)[nH]1)c1c(N)n(CCC)c(=O)[nH]c1=O,C11466380_decoy,GLCM,Decoy,0,-7.7872,-5.93,-3.75,-5.368054246113099
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](CC(C)C)NC(N)=O)c1C,C03370335_decoy,GLCM,Decoy,0,-7.43772,-7.21,-3.47,-6.02328851257871
COCCN(C(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C13146512_decoy,GLCM,Decoy,0,-6.88501,-7.71,-4.47,-5.8183942785719145
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,C04772413_decoy,GLCM,Decoy,0,-9.01878,-8.06,-2.67,-12.1377087302591
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CCNc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O,C12543541_decoy,GLCM,Decoy,0,-6.53799,-7.48,-3.14,-8.19906367945756
CCc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1,C13976778_decoy,GLCM,Decoy,0,-8.6297,-7.36,-3.24,-6.049790294796066
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NOC(=O)c1ccccc1,C14806535_decoy,GLCM,Decoy,0,-7.41636,-7.77,-3.16,-8.175805229372092
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)c(OCC(N)=O)c(OCC)c2)NC(=O)N1,C16382574_decoy,GLCM,Decoy,0,-7.75904,-5.31,-3.19,-5.985249968101723
CCN(CC)P1(N(CC)CC)=N[P@@](N)(N(CC)CC)=N[P@@](N)(N(CC)CC)=N1,C17282239_decoy,GLCM,Decoy,0,-6.06485,-3.36,-4.66,-3.9521070064504857
Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(CCC(N)=O)n2CC(C)C)c1,C19355532_decoy,GLCM,Decoy,0,-6.60436,-8.32,-4.7,-7.350651169921479
CCOCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2,C02794356_decoy,GLCM,Decoy,0,-8.75637,-8.02,-4.43,-8.178943221866993
COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cc(OC)c(OC)c(OC)c3)n2N)cc1,C20827128_decoy,GLCM,Decoy,0,-7.15083,-7.26,-3.25,-5.127549847042437
COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N,C20827134_decoy,GLCM,Decoy,0,-8.44331,-7.98,-4.37,-7.431521868409143
C=CCc1cccc(/C=N/Nc2nc(SCCC(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)c1O,C20832684_decoy,GLCM,Decoy,0,-7.95394,-7.34,-4.27,-6.098889034026981
CCOc1cc(CNc2cccc(C(=O)NCC(C)C)c2)cc(Br)c1OCC(N)=O,C20878225_decoy,GLCM,Decoy,0,-9.14576,-7.53,-2.08,-8.215120466917313
COc1cc(NC(=O)CCSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)cc(OC)c1,C20912129_decoy,GLCM,Decoy,0,-7.78174,-6.34,-4.07,-5.399091487124372
COC(=O)c1ccc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(OC)cc3)n2N)cc1,C20914022_decoy,GLCM,Decoy,0,-7.31722,-8.22,-3.06,-6.615099573216253
CCCCCN(C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O,C21336076_decoy,GLCM,Decoy,0,-8.2918,-7.42,-3.74,-7.990371345341102
CCOC(=O)C1=C(COC(=O)c2ccc(OCC(N)=O)c(OC)c2)NC(=O)N[C@@H]1c1ccccc1,C22025237_decoy,GLCM,Decoy,0,-7.43571,-7.65,-4.97,-8.448385256011687
CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCC(N)=O,C16688333_decoy,GLCM,Decoy,0,-8.45785,-7.79,-2.29,-8.01414688722172
COCCCNC(=S)NNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1,C26849594_decoy,GLCM,Decoy,0,-5.96427,-5.88,-1.73,-5.403036364990367
CCCCN(C(=O)CSCC(=O)Nc1ccc(OC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C32994486_decoy,GLCM,Decoy,0,-8.14488,-7.45,-2.99,-8.970755376478325
CCOC(=O)c1[nH]c(C)c(CCNC(=O)NCCc2c(C)[nH]c(C(=O)OCC)c2C)c1C,C37624640_decoy,GLCM,Decoy,0,-7.56871,-7.74,-2.63,-8.41210929040416
CCCCN1C(=O)N=C([O-])[C@@H](N(CCOC)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)[C@H]1[NH3+],C38800492_decoy,GLCM,Decoy,0,-8.48906,-5.19,-3.13,-5.3792903860637855
CCCCN(C(=O)CCNc1ccccc1[N+](=O)[O-])c1c(N)n(CCC)c(=O)[nH]c1=O,C39540175_decoy,GLCM,Decoy,0,-7.07941,-7.64,-3.23,-6.259001229040615
CCCCCN(C(=O)CSc1nc(CC2CCCC2)n[nH]1)c1c(N)n(CCCC)c(=O)[nH]c1=O,C11885440_decoy,GLCM,Decoy,0,-8.99458,-7.43,-4.02,-9.743781704583336
COC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)c1ccccc1C(F)(F)F,C40545101_decoy,GLCM,Decoy,0,-6.40817,-7.66,-2.81,-8.666937678934024
COC(=O)[C@@H](CCC/N=C(\N)N[N+](=O)[O-])NS(=O)(=O)c1cc(F)ccc1OC,C41107670_decoy,GLCM,Decoy,0,-7.80579,-6.76,-4.47,-8.298633058365375
CCOC(=O)N[C@H](CNC(=O)Nc1cccc(NC(=O)COC)c1)CC(C)C,C44107438_decoy,GLCM,Decoy,0,-7.9169,-5.98,-5.22,-6.285381077094977
C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)NOC(=O)c1ccccc1,C44681827_decoy,GLCM,Decoy,0,-6.75989,-7.5,-3.87,-6.468114288402836
COCCOc1cc(NC(=O)[C@@H](CCSC)NC(N)=O)ccc1OC,C46446803_decoy,GLCM,Decoy,0,-7.62324,-5.69,-3.81,-6.693783649343657
COc1ccc(OCC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)cc1,C58614502_decoy,GLCM,Decoy,0,-7.9614,-7.64,-1.7,-9.886567660298953
CCOCCCNC(=S)NNC(=O)Cc1csc(NC(=O)C(C)C)n1,C58876243_decoy,GLCM,Decoy,0,-7.7937,-6.16,-3.06,-6.6450880205213965
C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1,C58997610_decoy,GLCM,Decoy,0,-8.0842,-8.06,-4.41,-6.861042333534252
S=C(NCCCCCCNC(=S)NC[C@@H]1CCCO1)NC[C@@H]1CCCO1,C59398822_decoy,GLCM,Decoy,0,-9.58319,-6.27,-4.38,-10.03420998161978
CC[NH+](CC)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccccc3[N+](=O)[O-])n2)cc1,C59843959_decoy,GLCM,Decoy,0,-6.99914,-6.47,-4.97,-5.612328659727026
CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2ccc(OCc3ccccc3)cc2)n1,C59879618_decoy,GLCM,Decoy,0,-8.85957,-7.9,-4.62,-10.64311724995687
COCCn1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]2)cn1,C59887428_decoy,GLCM,Decoy,0,-8.71625,-7.94,-3.88,-8.074033632251695
CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C1CC1,C60336686_decoy,GLCM,Decoy,0,-7.97961,-7.49,-3.81,-6.483018101449104
CNC(=O)[C@H](CC(C)C)NCc1cc(OC)c(OCC(N)=O)c(OC)c1,C62258592_decoy,GLCM,Decoy,0,-7.30599,-7.02,-3.64,-7.271755174087029
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-],C63350015_decoy,GLCM,Decoy,0,-5.62552,-8.52,-2.37,-6.217947581019343
COCCCNC(=O)NNC(=O)CCCNc1ccc([N+](=O)[O-])cc1,C65207351_decoy,GLCM,Decoy,0,-6.4565,-7.49,-4.49,-7.10118191738369
COCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1,C66090639_decoy,GLCM,Decoy,0,-6.27027,-7.5,-3.52,-5.85252121463585
CCOCCCNC(=O)NNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC)cc1,C67314026_decoy,GLCM,Decoy,0,-8.26682,-6.3,-2.82,-7.9479255771790225
COCCCNC(=S)NNC(=S)Nc1cccc(Cl)c1C,C03161861_decoy,GLCM,Decoy,0,-8.1412,-6.97,-2.44,-5.722194820822349
C=C(C)CNC(=S)Nc1cccc(NC(=S)NCC(=C)C)n1,C00406778_decoy,GLCM,Decoy,0,-8.88079,-6.57,-1.93,-6.218312445190524
CCNC(=S)NCC12C[C@@H]3C[C@@H](CC(CCNC(=S)NC)(C3)C1)C2,C01509408_decoy,GLCM,Decoy,0,-9.20215,-7.12,-3.22,-8.086503265204051
CSCC[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(N)=O,C04762096_decoy,GLCM,Decoy,0,-8.39802,-5.81,-4.43,-7.454107033783396
CCCc1nnc(SCCCSc2nnc(CCC)n2N)n1N,C05483001_decoy,GLCM,Decoy,0,-9.63568,-6.72,-2.57,-9.615527887326945
C=CCNC(=S)Nc1cccc(NC(=S)NCC=C)n1,C05631253_decoy,GLCM,Decoy,0,-9.10046,-6.38,-2.69,-9.04087879020742
S=C(Nc1ccc(Oc2ccc(NC(=S)NC3CC3)cc2)cc1)NC1CC1,C06331429_decoy,GLCM,Decoy,0,-9.93534,-7.68,-2.47,-12.461744251856768
C=C(C)CNC(=S)Nc1cccc(NC(=S)NCC(=C)C)c1C,C06265991_decoy,GLCM,Decoy,0,-7.16265,-6.67,-2.67,-5.700487748541685
NC(=O)N[C@H](CC(=O)OCC(=O)c1ccc[nH]1)c1cccc(Oc2ccccc2)c1,C07984913_decoy,GLCM,Decoy,0,-6.20161,-8.13,-2.8,-5.391802896468233
CCCCNc1ccc(S(N)(=O)=O)cc1N/C=C(\C#N)C(=O)OCC,C18988623_decoy,GLCM,Decoy,0,-8.9578,-7.45,-1.93,-8.760884379455707
S=C(NC[C@H]1CCCO1)NC1CCC(NC(=S)NC[C@@H]2CCCO2)CC1,C15348377_decoy,GLCM,Decoy,0,-9.2362,-7.26,-3.57,-8.409480471953906
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)NCCc1cccs1,C21124422_decoy,GLCM,Decoy,0,-8.56891,-6.66,-4.55,-6.961534356185092
CCCCn1c(N)c(N(CC)CC(=O)NCCc2cccs2)c(=O)[nH]c1=O,C21387934_decoy,GLCM,Decoy,0,-8.51255,-6.48,-2.77,-9.32640847043576
CC(=O)N[C@@H](CC(=O)NNC(=S)NCCC(C)C)c1ccc(C)cc1,C22976638_decoy,GLCM,Decoy,0,-7.53788,-7.44,-4.43,-5.891923411669045
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)NCCc1ccc(Cl)cc1,C27320790_decoy,GLCM,Decoy,0,-6.88965,-7.36,-4.55,-5.779393325979428
C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)NCCc2ccc(OC)cc2)cc1,C29802212_decoy,GLCM,Decoy,0,-6.55661,-7.11,-1.66,-6.77533548464857
C=CCNC(=S)NNC(=O)CC[C@@H](O)COCCC(C)C,C13634443_decoy,GLCM,Decoy,0,-8.63334,-5.97,-3.21,-7.57212322651463
COC(=O)[C@H]([C@@H](CO)Cc1ccc(O)c(OC)c1)[C@H](O)c1ccc(O)c(OC)c1,C35455775_decoy,GLCM,Decoy,0,-10.177,-6.87,-3.11,-8.877932778304324
COC(=O)[C@@H]([C@@H](CO)Cc1ccc(O)c(OC)c1)[C@H](O)c1ccc(O)c(OC)c1,C35455764_decoy,GLCM,Decoy,0,-9.02392,-6.94,-3.82,-9.661790422368798
C=CCNC(=S)NNC(=O)[C@@H](CCC(C)C)C[C@H](C)O,C08686389_decoy,GLCM,Decoy,0,-9.00667,-5.66,-3.64,-7.606989065483539
Cc1nc(NC(=O)CCCNC(=O)OC(C)(C)C)sc1SCC(N)=O,C41813510_decoy,GLCM,Decoy,0,-9.44361,-6.83,-3.02,-11.225585362831447
C=CCNC(=S)NNC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1,C41961258_decoy,GLCM,Decoy,0,-9.32939,-5.68,-2.86,-7.897300561098746
CCCCCNC(=O)CSCc1nc(N)nc(Nc2ccc(F)cc2)n1,C42184696_decoy,GLCM,Decoy,0,-8.42016,-5.57,-4.89,-5.523962675585088
CCCCN(CC(=O)N[C@H](C)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C42859882_decoy,GLCM,Decoy,0,-7.34269,-6.56,-1.97,-8.640547006590882
COc1ccccc1NC(=S)NNC(=O)CCNC(=O)/C=C/c1ccco1,C46583894_decoy,GLCM,Decoy,0,-7.10387,-6.57,-1.37,-6.5675089410911935
CC(C)CCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1,C48660800_decoy,GLCM,Decoy,0,-7.94452,-8.12,-4.67,-7.139975799737587
CCOc1c(OC)cc(CNC(=O)NNC(=S)NC2CCCC2)cc1OC,C50138739_decoy,GLCM,Decoy,0,-6.6141,-7.27,-1.79,-7.060080169050168
CC(C)Cc1ccc([C@H](C)NC(=O)CNc2ccccc2SCC(N)=O)cc1,C50274647_decoy,GLCM,Decoy,0,-7.73777,-8.15,-4.14,-7.033642083497267
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1,C54038544_decoy,GLCM,Decoy,0,-7.05657,-7.75,-2.87,-10.682800241307795
Cc1cc(OCC(N)=O)ccc1NC(=O)NCCCCN(C)c1ccccc1,C54447206_decoy,GLCM,Decoy,0,-7.1641,-7.6,-3.2,-5.397205630138219
CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(OC)c(OCC(N)=O)c1,C56160415_decoy,GLCM,Decoy,0,-6.60344,-6.59,-3.25,-5.248251740446629
COc1ccc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1OCC(N)=O,C56160648_decoy,GLCM,Decoy,0,-8.1248,-7.57,-3.18,-7.228598089137899
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)c(OCC(N)=O)c1,C56160718_decoy,GLCM,Decoy,0,-7.8547,-6.8,-2.89,-5.627136043348814
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(COCCOC)c1,C56979399_decoy,GLCM,Decoy,0,-6.94004,-7.27,-2.35,-7.405978967445524
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ncccn2)cc1,C57061006_decoy,GLCM,Decoy,0,-7.25918,-6.46,-3.81,-6.7112850493623455
C=C(C)CNC(=S)NCC(C)(C)CNC(=S)NCC(=C)C,C57434919_decoy,GLCM,Decoy,0,-8.67538,-6.12,-5.31,-6.192179952026865
CSCC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=S)NC1CCCC1,C08416922_decoy,GLCM,Decoy,0,-9.23558,-6.99,-1.86,-6.546130042383747
COc1ccc(CC[C@H](C)NC(=O)[C@H](CCSC)NC(N)=O)cc1,C58218445_decoy,GLCM,Decoy,0,-9.33862,-5.7,-3.93,-7.800396477095513
CC[C@@H](C)NC(=O)CCNC(=O)/C=C/c1ccc(OCC(N)=O)cc1,C58498912_decoy,GLCM,Decoy,0,-7.24063,-6.91,-3.37,-5.516007892087086
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NC(N)=O)c1,C58570420_decoy,GLCM,Decoy,0,-7.2794,-6.39,-4.67,-5.137005870671902
CSCC[C@@H](NC(N)=O)C(=O)NCCOc1ccccc1-c1ccccc1,C60113582_decoy,GLCM,Decoy,0,-10.1988,-7.71,-3.74,-11.627354008925298
CSCC[C@@H](NC(N)=O)C(=O)NCCCCCCC(C)C,C60622549_decoy,GLCM,Decoy,0,-8.15702,-5.55,-1.69,-9.264408990708873
CCCNC(=S)NNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC,C61495867_decoy,GLCM,Decoy,0,-7.86823,-6.72,-2.18,-6.254970771035368
CCC[C@@H](NC(N)=O)C(=O)NCc1ccc(OCCOC)cc1,C63686179_decoy,GLCM,Decoy,0,-7.11837,-7.47,-1.6,-5.5817168145542695
CC(C)CCNC(=O)NNC(=O)CCNC(=O)OCC(F)(F)F,C65133109_decoy,GLCM,Decoy,0,-5.61191,-5.23,-4.58,-4.694714148432645
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCC1CC1,C65192397_decoy,GLCM,Decoy,0,-8.45909,-5.95,-3.7,-6.127744526806272
CCCC[C@H](NC(N)=O)C(=O)NNC(=S)NCCC,C65621825_decoy,GLCM,Decoy,0,-7.14637,-5.68,-4.07,-5.46018325233803
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1cccc(COCc2ccc(OC)cc2)c1,C66941873_decoy,GLCM,Decoy,0,-7.76311,-7.64,-2.31,-10.083368242737576
COc1ccc(COCCCNC(=O)[C@H](NC(N)=O)C(C)C)cc1,C67174771_decoy,GLCM,Decoy,0,-7.05543,-6.86,-2.49,-8.96761123607281
CCOCCCNC(=O)NNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1,C67310112_decoy,GLCM,Decoy,0,-7.62759,-7.69,-2.28,-8.566996385699586
CCC[C@@H](C(=O)NC1CCCC1)N(CCCO)C(=O)c1snc(C(N)=O)c1N,C04161221_decoy,GLCM,Decoy,0,-7.58344,-7.13,-3.03,-9.937716478171255
CCc1ccc(N(CC(=O)NCCOC)C(=O)c2snc(C(N)=O)c2N)cc1,C04213711_decoy,GLCM,Decoy,0,-7.80062,-6.93,-2.92,-5.798145535172711
Cc1cc(NCCSSCCNc2cc(C)nc(N)n2)nc(N)n1,C04784919_decoy,GLCM,Decoy,0,-8.32346,-6.63,-2.16,-7.14246818261676
CCOC(=O)[C@H](Cc1cc(N)c(Oc2ccc(OC)cc2)c(N)c1)NC(C)=O,C02022108_decoy,GLCM,Decoy,0,-7.00366,-7.82,-5.38,-6.635562350367985
CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C(=O)NC(N)=O)C(C)C,C07845416_decoy,GLCM,Decoy,0,-6.85129,-7.11,-3.71,-6.191996293510382
CC(=O)N[C@@H](CSc1ccc(C(C)C)cc1)C(=O)NC(CO)(CO)CO,C06633813_decoy,GLCM,Decoy,0,-7.62428,-7.53,-2.99,-8.750230976095466
CC[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@@H](CC(C)C)C(=O)OC,C10004161_decoy,GLCM,Decoy,0,-7.59871,-7.24,-4.61,-5.698153508465433
NC(=[NH2+])NCC(=O)Nc1ccc(S[C@@H](CC(=O)[O-])c2cccnc2)cc1,C13589314_decoy,GLCM,Decoy,0,-8.95814,-7.89,-1.63,-8.389297024343799
CN(/N=C/C(=N\Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1,C16188770_decoy,GLCM,Decoy,0,-7.56244,-8.29,-2.8,-9.252832577911027
COc1ccc(CNC(=S)NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1,C16218315_decoy,GLCM,Decoy,0,-7.78418,-5.99,-6.03,-5.01065882243306
COc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc(N)cc(N)n3)o2)cc1,C20248806_decoy,GLCM,Decoy,0,-8.61483,-8.54,-4.34,-7.048385725463546
COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)NCc3ccc(C)cc3)n2N)c1,C20527468_decoy,GLCM,Decoy,0,-6.0848,-8.57,-4.09,-6.427697689393357
COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1OC,C20806432_decoy,GLCM,Decoy,0,-6.05546,-8.07,-4.03,-5.787680618790724
COc1cccc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)c1O,C20834557_decoy,GLCM,Decoy,0,-7.10353,-7.76,-2.41,-5.537625564633889
COc1ccccc1CNC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N,C20914630_decoy,GLCM,Decoy,0,-7.35484,-6.58,-3.78,-5.643053940830653
COc1cccc(NC(=O)CCSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1,C20915252_decoy,GLCM,Decoy,0,-7.57038,-6.69,-2.95,-4.911294916360271
Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)NCc1ccco1,C20915479_decoy,GLCM,Decoy,0,-8.31453,-6.59,-5.02,-5.9816673981768425
COCC(=O)NNC(=O)CSc1nnc(N/N=C/c2ccc(C)cc2)n1N,C20918312_decoy,GLCM,Decoy,0,-7.37022,-8.34,-2.69,-10.059558905518044
CCOC(=O)c1c(NC(=O)CCSc2nnc(NN)n2N)sc2c1CCCC2,C20922307_decoy,GLCM,Decoy,0,-8.6594,-7.95,-2.95,-10.323399809817314
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc(Cl)cc1,C20973355_decoy,GLCM,Decoy,0,-7.23535,-6.71,-2.93,-6.0311643123329
COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc1,C21318808_decoy,GLCM,Decoy,0,-6.76582,-7.87,-2.01,-6.933510674119677
CC(C)C(=O)NCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-],C21636483_decoy,GLCM,Decoy,0,-6.16969,-6.88,-4.45,-5.075938808106388
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1,C22616027_decoy,GLCM,Decoy,0,-8.34183,-7.03,-5.09,-7.4077974632596275
COc1ccc(N(CCC(N)=O)CC(=O)Nc2sccc2C(N)=O)cc1,C23053568_decoy,GLCM,Decoy,0,-7.00481,-6.07,-3.66,-5.36026575497982
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)Nc1cccc(C(F)(F)F)c1,C26864074_decoy,GLCM,Decoy,0,-7.29473,-8.0,-1.44,-6.957341294929232
CCCOc1ccc(C(=O)NNC(=O)[C@H](NC(N)=O)[C@H](C)CC)cc1OC,C28079349_decoy,GLCM,Decoy,0,-8.51938,-6.68,-2.12,-8.845387072821058
Oc1ccc(CCCC[C@H](CCc2ccc(O)c(O)c2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O,C31155572_decoy,GLCM,Decoy,0,-8.39129,-9.08,-2.84,-6.77630085827761
CCC[C@@H](C(=O)NC(C)(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N,C04161172_decoy,GLCM,Decoy,0,-7.42373,-6.08,-3.19,-5.655881464474624
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1,C01646733_decoy,GLCM,Decoy,0,-8.99617,-8.39,-3.11,-7.936016911720793
CC(C)C[C@H](C(=O)NC(C)(C)C)N(C[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N,C06190440_decoy,GLCM,Decoy,0,-7.94105,-7.41,-2.41,-6.23764635484206
CC[NH+]1[C@@H](SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])NN[C@H]1c1ccccc1,C39680319_decoy,GLCM,Decoy,0,-6.60579,-8.97,-2.75,-7.78771005113831
C[C@@H](C(=O)[O-])[NH+]1[C@@H](SCC(=O)NCCc2c[nH]c3ccccc23)NN[C@@H]1c1cccs1,C39716118_decoy,GLCM,Decoy,0,-8.05906,-7.36,-2.52,-6.838750250159871
CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1c(N)nnc1SCC(=O)OC,C40174054_decoy,GLCM,Decoy,0,-9.38501,-7.21,-2.31,-8.03274482149012
CSCC[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(F)cc1F,C42084074_decoy,GLCM,Decoy,0,-9.45372,-7.0,-5.07,-9.589560328725574
CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](CC(=O)NCC(=O)[O-])c1ccc(Cl)cc1,C43595176_decoy,GLCM,Decoy,0,-8.36866,-6.29,-2.82,-9.16333396459229
[NH3+][C@H](CC(=O)[O-])C(c1ccc(OC(F)(F)F)cc1)[C@@H]([NH3+])CC(=O)[O-],C44219295_decoy,GLCM,Decoy,0,-5.75292,-7.01,-1.26,-5.689556886475501
CC(C)NS(=O)(=O)c1ccc(NCCNC(=O)OC(C)(C)C)c(N)c1,C45796126_decoy,GLCM,Decoy,0,-7.20466,-7.63,-2.75,-6.12545544538954
COCCNC(=O)NC(=O)[C@H](C)Nc1ccc(OCC(N)=O)cc1C,C56206746_decoy,GLCM,Decoy,0,-7.44711,-6.68,-2.46,-7.710123891857274
CSCC[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(F)cc1,C08347894_decoy,GLCM,Decoy,0,-9.77941,-6.91,-3.55,-9.084661951349732
CSCC[C@@H](NC(N)=O)C(=O)NNC(=S)N[C@@H]1CCCC[C@@H]1C,C58177746_decoy,GLCM,Decoy,0,-9.37461,-6.91,-1.67,-8.500450947014286
COc1ccc(NC(=O)CNC(=O)NCc2ccco2)cc1OCC(N)=O,C58332052_decoy,GLCM,Decoy,0,-8.46615,-7.31,-2.55,-7.569192932945429
COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)n[nH]2)c1,C58997652_decoy,GLCM,Decoy,0,-9.33583,-7.55,-2.48,-6.377950482165913
COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1OC,C20292306_decoy,GLCM,Decoy,0,-8.39328,-7.21,-4.43,-7.249975837107826
COc1ccc(NCc2nnc(S[C@H](C)C(=O)NNC(=O)C(C)C)n2N)cc1,C59880101_decoy,GLCM,Decoy,0,-7.51417,-8.49,-2.29,-8.11552598262991
CC(C)(C)OC(=O)[C@](N)(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]([NH3+])C(=O)[O-],C64219647_decoy,GLCM,Decoy,0,-6.45699,-7.21,-3.93,-5.70325479490664
O=C(CS[C@@H]1NN[C@H](Nc2ccccc2)S1)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-],C64684551_decoy,GLCM,Decoy,0,-10.1285,-7.42,-2.65,-6.579526357038793
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C(C)C,C66123213_decoy,GLCM,Decoy,0,-7.06091,-7.54,-3.41,-5.9137896154249
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C(C)C,C66123216_decoy,GLCM,Decoy,0,-7.42164,-7.55,-1.82,-7.900031425381327
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C(C)C,C66123219_decoy,GLCM,Decoy,0,-7.22844,-7.47,-3.22,-5.682022903546351
CCOC(=O)C1=C(CNc2ccccc2SCC(N)=O)NC(=O)N[C@@H]1C,C67444301_decoy,GLCM,Decoy,0,-7.9668,-7.96,-3.37,-10.116524473462574
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@@](O)(C(=O)N[C@@H](Cc2ccc(OC)cc2)C(N)=O)C[C@@H](O)[C@@H]1O,C04221873_decoy,GLCM,Decoy,0,-10.432,-6.47,-5.02,-8.407482500895458
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)c1C,C03343105_decoy,GLCM,Decoy,0,-6.41813,-7.59,-4.39,-5.89653703859965
C=CCNC(=S)Nc1cccc(NC(=O)C[C@@H]([NH2+]CCCOC)C(=O)[O-])c1,C05258990_decoy,GLCM,Decoy,0,-8.43694,-6.78,-4.38,-8.384214790195818
COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1,C06134160_decoy,GLCM,Decoy,0,-7.47748,-7.77,-3.4,-8.327829585324995
COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1,C06134560_decoy,GLCM,Decoy,0,-8.61439,-6.92,-3.71,-9.273973637005447
CCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N,C06501264_decoy,GLCM,Decoy,0,-8.93009,-7.22,-4.64,-9.320136458065516
CC[NH+](CC)CCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1,C06511243_decoy,GLCM,Decoy,0,-9.272,-6.83,-2.11,-9.276597691396814
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1,C06822095_decoy,GLCM,Decoy,0,-8.46938,-7.05,-5.7,-6.636386283916191
COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CC[NH+](C)C)C(=O)c2snc(C(N)=O)c2N)cc1,C06878671_decoy,GLCM,Decoy,0,-9.03203,-7.78,-4.94,-9.139658340672918
COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N,C06905055_decoy,GLCM,Decoy,0,-9.63029,-6.86,-2.9,-9.800429465442608
C=C(C)COc1ccc2c(C)c(CC(=O)N(C)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(=O)oc2c1C,C08764222_decoy,GLCM,Decoy,0,-9.60756,-7.66,-2.79,-11.367115715750923
CSCC[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(SC(F)F)cc1,C09728266_decoy,GLCM,Decoy,0,-10.2063,-5.9,-4.52,-6.677786643501341
[NH2+]=C(NCCCc1c[nH]cn1)NCC[C@@H](c1cccc(F)c1)c1ccccn1,C13816113_decoy,GLCM,Decoy,0,-9.99993,-8.23,-4.48,-10.445068750062063
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NN)C(C)C)C(C)C,C15135153_decoy,GLCM,Decoy,0,-7.77046,-7.33,-3.44,-8.011052294425484
COC(=O)/C(=N/NC(=S)NN)[C@@H](C(=O)OC)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1,C17216047_decoy,GLCM,Decoy,0,-8.47543,-6.23,-3.99,-7.648987147577017
CCCC[C@H](C(=O)NCCC(C)C)N(CCC[NH+]1CCOCC1)C(=O)c1snc(C(N)=O)c1N,C04388819_decoy,GLCM,Decoy,0,-8.58633,-7.33,-4.22,-8.766123664540359
CCCCSc1ccccc1NC(=O)CSc1nnc(N/N=C/c2c(O)ccc3ccccc23)n1N,C20916357_decoy,GLCM,Decoy,0,-9.09674,-6.82,-3.15,-6.563354239255974
C[NH2+]Cc1ccc(CSCCN/C(=N\S(C)(=O)=O)NC[C@H](O)c2ccc(O)cc2)o1,C11616142_decoy,GLCM,Decoy,0,-9.4446,-7.58,-2.56,-7.634712927797858
CCCCCN(C(=O)CSc1nc(N)c2ccsc2n1)c1c(N)n(CCCC)c(=O)[nH]c1=O,C24535289_decoy,GLCM,Decoy,0,-7.89448,-7.53,-1.92,-7.3486388802047005
CCCCn1c(N)c(N(CCC)CC2=C(C(=O)OCC)[C@H](c3ccccc3)NC(=O)N2)c(=O)[nH]c1=O,C25074291_decoy,GLCM,Decoy,0,-7.44265,-6.07,-3.89,-6.622439098211981
CCCCc1c(C)nc(N)nc1N1N=C1SSC1=[NH+]N1c1nc(N)nc(C)c1CCCC,C26895497_decoy,GLCM,Decoy,0,-8.56593,-8.2,-3.3,-12.060006587540746
NC(=[NH2+])NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccncc2)CC2CC2)c1,C27205501_decoy,GLCM,Decoy,0,-9.92733,-7.91,-4.77,-8.882277734193515
N#Cc1ccc(NCC(F)(F)c2ccc(Cl)cn2)c(F)c1CC(=O)NCCONC(N)=[NH2+],C29043701_decoy,GLCM,Decoy,0,-10.2478,-6.96,-2.46,-8.281164886407606
CC(=O)O[C@H](C[C@@H](O)[C@](C)(O)CCC=C(C)C)/C(C)=C/COC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO,C31161890_decoy,GLCM,Decoy,0,-8.86326,-7.87,-2.73,-8.42051696890613
CSCC[C@H]([NH3+])c1nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)co1,C33404518_decoy,GLCM,Decoy,0,-8.97039,-8.2,-4.03,-8.303398036704483
CCCCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1csc([C@@H]([NH3+])CCSC)n1,C33594610_decoy,GLCM,Decoy,0,-12.0608,-7.32,-3.4,-9.845721610638728
N/C(NCCC[C@H](c1ccc(F)cc1)c1ccccn1)=[NH+]\CCCc1c[nH]cn1,C13816249_decoy,GLCM,Decoy,0,-8.63853,-6.73,-2.28,-7.111011544883481
COc1cc(C[C@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2cc(/C=C/CO)cc(OC)c2O)ccc1O,C35464812_decoy,GLCM,Decoy,0,-10.3637,-9.16,-1.71,-12.582563419174946
CCC[C@H](C(=O)NC1CCCC1)N(CC[NH+](CC)CC)C(=O)c1snc(C(N)=O)c1N,C06501354_decoy,GLCM,Decoy,0,-8.1874,-6.92,-2.73,-8.628894093340538
C=C[C@@](C)(O)CC/C(C)=C/CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C31157165_decoy,GLCM,Decoy,0,-8.45773,-7.81,-2.36,-11.464296533282788
COCCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc(C(N)=O)c1C,C03427844_decoy,GLCM,Decoy,0,-7.46165,-7.4,-1.62,-8.038996797819898
NC(=S)N/N=C/c1ccccc1OCCOCCOc1ccccc1/C=N/NC(N)=S,C09267237_decoy,GLCM,Decoy,0,-8.2333,-6.44,-5.19,-6.951290451328898
C=CC[NH+]1[C@@H](c2ccccc2OC)NN[C@H]1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C39692343_decoy,GLCM,Decoy,0,-5.81326,-8.97,-4.58,-6.931647304670375
COc1ccc(NC(=O)C(=O)NCCC[NH+](C)C(C)C)cc1OCC(N)=O,C41717295_decoy,GLCM,Decoy,0,-8.31035,-7.79,-2.64,-6.925609232975103
C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)C(C)C,C41856111_decoy,GLCM,Decoy,0,-7.80401,-7.38,-4.21,-7.232062023586657
C=CCNC(=S)NNC(=O)[C@@H](CCC)NC(=O)NCc1ccc(F)cc1,C42011723_decoy,GLCM,Decoy,0,-7.15687,-7.31,-1.78,-6.1046873551746925
COCCCOc1cc(C[C@@H](C[C@@H]([NH3+])[C@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,C43773461_decoy,GLCM,Decoy,0,-9.23093,-7.28,-4.89,-6.935326434355136
COC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NCc1c(CO)c[nH+]c(C)c1O,C44682094_decoy,GLCM,Decoy,0,-7.84537,-6.49,-4.03,-7.844584490434226
CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)cc1,C44710260_decoy,GLCM,Decoy,0,-7.23796,-7.74,-3.4,-6.868810166798301
CCO/C([O-])=C1\C(COCC[NH+](CC(N)=O)CC(N)=O)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl,C27646276_decoy,GLCM,Decoy,0,-8.91668,-7.02,-2.49,-8.514268814581564
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NN,C04402007_decoy,GLCM,Decoy,0,-8.59128,-7.0,-4.05,-6.20877798249176
C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(OCC(N)=O)cc1C)C(C)C,C56710096_decoy,GLCM,Decoy,0,-8.17625,-5.79,-3.38,-8.425639798454128
CSCCCNC(=S)NNC(=O)C(=O)NNC(=S)NCCCSC,C57435103_decoy,GLCM,Decoy,0,-8.87592,-5.62,-4.29,-6.328424117500871
COc1cc(NC(=S)/N=C(\NCCc2c[nH]c[nH+]2)Nc2nc(C)cc(C)n2)cc(OC)c1,C14156526_decoy,GLCM,Decoy,0,-10.4574,-7.73,-4.55,-10.676619770302535
CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)c2cc(N)ccc2Cl)c(=O)[nH]c1=O,C60380698_decoy,GLCM,Decoy,0,-7.79042,-6.33,-4.01,-7.615352297316895
CCOc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)C2=c3ccccc3=[NH+]C2)cc1OC,C63112104_decoy,GLCM,Decoy,0,-7.55582,-8.61,-4.85,-8.433149151998245
CCOc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2C)C2=c3ccccc3=[NH+]C2)cc1OC,C63117435_decoy,GLCM,Decoy,0,-7.95883,-8.2,-4.61,-8.214185017654751
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,GLCM,Decoy,0,-7.36005,-6.31,-3.59,-6.084505230470216
C=CCOC(=O)[C@](N)(C[C@@H]([NH3+])C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21,C64219202_decoy,GLCM,Decoy,0,-7.09528,-7.95,-1.67,-6.5876960180746496
COc1c(O)c(CCCCCCCCCCO)c(C)c(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c1OC,C65742904_decoy,GLCM,Decoy,0,-6.87741,-5.74,-1.82,-6.155755212797007
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CCSC,C04026189_decoy,GLCM,Decoy,0,-9.38701,-6.51,-4.79,-8.067614231043345
CCCC[C@@H](C(=O)NC1CCCC1)N(CCCO)C(=O)c1snc(C(N)=O)c1N,C04161223_decoy,GLCM,Decoy,0,-7.37819,-5.22,-3.49,-5.19637550187858
C=CCNC(=O)N[C@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C(=O)N[C@@H](CCCNC(=O)CC(C)(C)C)C(N)=O,C04201011_decoy,GLCM,Decoy,0,-8.71553,-8.25,-3.3,-9.26950268191931
CCC[C@H](C(=O)NC1CCCC1)N(CCC[NH+]1CCOCC1)C(=O)c1snc(C(N)=O)c1N,C04388372_decoy,GLCM,Decoy,0,-10.0927,-7.72,-1.19,-10.597867655506638
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,C04393164_decoy,GLCM,Decoy,0,-8.65486,-7.69,-2.83,-7.693517426804539
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NN,C04458884_decoy,GLCM,Decoy,0,-7.63917,-5.49,-2.88,-5.617062122993114
C=CCNC(=S)Nc1cccc(NC(=O)C[C@H]([NH2+]CCCOC)C(=O)[O-])c1,C05258989_decoy,GLCM,Decoy,0,-9.28183,-7.5,-4.57,-10.243098908097464
NNC(=O)[C@@H](Cc1cccs1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1,C05608522_decoy,GLCM,Decoy,0,-7.6583,-8.46,-3.42,-8.25677996929045
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccco2)c(OC)c1,C06134294_decoy,GLCM,Decoy,0,-8.41523,-7.08,-3.83,-9.306742290475164
COc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC,C06134434_decoy,GLCM,Decoy,0,-8.73762,-7.44,-3.06,-8.625179959971788
CC[NH+](CC)CCCN(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N,C06511134_decoy,GLCM,Decoy,0,-9.50716,-6.82,-2.21,-8.489759088207167
CC[NH+](CC)CCCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(OC)cc1,C06511213_decoy,GLCM,Decoy,0,-9.66822,-6.74,-2.65,-9.744481370081974
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,C06546650_decoy,GLCM,Decoy,0,-8.02885,-6.05,-4.11,-7.713255393868611
CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1,C06600100_decoy,GLCM,Decoy,0,-7.79785,-5.71,-4.16,-5.53513968448593
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCOC)c2ccc(F)cc2)cc1,C06600966_decoy,GLCM,Decoy,0,-9.24884,-7.56,-3.11,-12.791533945805805
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(CC)cc1,C06822061_decoy,GLCM,Decoy,0,-8.51378,-7.41,-3.27,-8.984760062901751
COCCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1,C06135860_decoy,GLCM,Decoy,0,-8.78019,-6.94,-1.33,-9.101476559572829
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N,C06904939_decoy,GLCM,Decoy,0,-8.32093,-7.98,-2.57,-11.139207841600845
COCCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccc(F)cc2)sc(C(N)=O)c1C,C09128224_decoy,GLCM,Decoy,0,-9.86704,-7.46,-3.58,-10.082531723024813
CCC[C@H](C(=O)NC1CCCC1)N(CCCOCC)C(=O)c1snc(C(N)=O)c1N,C06501352_decoy,GLCM,Decoy,0,-7.40981,-6.14,-3.75,-7.530289305481405
CC(C)C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O,C05423788_decoy,GLCM,Decoy,0,-7.5683,-7.01,-2.5,-6.315954719010802
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](CS[C@@H]1CCCCO1)C(=O)NN,C13551078_decoy,GLCM,Decoy,0,-7.87257,-6.79,-2.36,-6.986802016715151
O=C(Nc1ccccc1)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)C(=O)[O-],C13803655_decoy,GLCM,Decoy,0,-11.933,-9.24,-3.35,-8.675477522698003
CCCCn1c(N)c(N(CC)C(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c1=O,C15446406_decoy,GLCM,Decoy,0,-6.88041,-8.38,-3.97,-7.619524238401726
COc1cc(C(=O)NNC(=S)NCCC(C)C)cc(OC)c1OCC(N)=O,C15761756_decoy,GLCM,Decoy,0,-8.69809,-6.94,-4.02,-8.200647144409109
CNC(=S)NCCN(CCN(CCNC(=S)NC)C(=S)NC)C(=S)NC,C16189335_decoy,GLCM,Decoy,0,-10.2546,-5.32,-2.25,-6.763737891259676
NC(=O)CCN(C(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(F)cc1,C16810642_decoy,GLCM,Decoy,0,-8.50445,-7.45,-4.47,-6.454542533115329
CCc1cc2c(=O)c(-c3nc(C)cs3)c([C@H]([NH3+])CCSC)oc2cc1OC(=O)[C@H](N)CCSC,C19702933_decoy,GLCM,Decoy,0,-11.2577,-4.99,-2.02,-7.804528105506312
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NCCN3CCOCC3)C[NH+]12)NCc1ccc(F)cc1,C15707699_decoy,GLCM,Decoy,0,-10.7004,-7.78,-3.59,-10.0522079897363
CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([C@H](C)CC)cc3)n2N)ccc1O,C21326564_decoy,GLCM,Decoy,0,-7.92436,-8.29,-2.08,-8.189111955680213
CCCCN(C(=O)CN(CCC(N)=O)c1ccc(OC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C21841372_decoy,GLCM,Decoy,0,-8.38398,-7.25,-4.64,-7.732373220724868
CC(C)(CNc1ccc(Cl)c(CC(=O)NCCONC(N)=[NH2+])c1F)c1cccnc1,C28956093_decoy,GLCM,Decoy,0,-9.87855,-8.97,-2.7,-13.540390463132542
CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-],C32602837_decoy,GLCM,Decoy,0,-9.34067,-7.52,-5.17,-8.65231861588072
COc1cc(C[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2cc(/C=C/CO)cc(OC)c2O)ccc1O,C35464809_decoy,GLCM,Decoy,0,-9.72283,-8.38,-2.4,-9.255797247583075
O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1,C36081791_decoy,GLCM,Decoy,0,-6.14711,-7.45,-3.21,-5.956919627789953
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C,C05018195_decoy,GLCM,Decoy,0,-7.10221,-6.62,-3.78,-7.833686537378863
CCC[C@@H](C(=O)NCCC(C)C)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N,C06501152_decoy,GLCM,Decoy,0,-7.69222,-6.91,-4.35,-7.722249661334632
CCOC(=O)CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(F)cc1,C06546218_decoy,GLCM,Decoy,0,-8.10876,-6.96,-4.54,-8.76523972387747
COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC[C@@H]([NH3+])CS)cc1-c1ccccc1,C03821325_decoy,GLCM,Decoy,0,-10.4345,-6.5,-1.82,-10.87012430593081
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(N)=O)C(C)C,C04388860_decoy,GLCM,Decoy,0,-7.12908,-7.18,-2.14,-9.532255921283756
CC(C)N(C(C)C)[C@@H](C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])[NH+](C(C)C)C(C)C,C19327766_decoy,GLCM,Decoy,0,-8.56709,-6.11,-2.74,-6.420770136763736
C/C(=N\NC(N)=[NH2+])[C@@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O,C25586033_decoy,GLCM,Decoy,0,-9.1822,-7.87,-4.46,-9.42634077162253
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@](O)(C(=O)N[C@@H](Cc2ccc(OC)cc2)C(N)=O)C[C@@H](O)[C@@H]1O,C43537100_decoy,GLCM,Decoy,0,-9.96818,-7.46,-1.53,-8.064707616930953
CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O,C43946862_decoy,GLCM,Decoy,0,-7.79721,-7.47,-4.24,-7.608233607063283
[NH3+]C(CO)(CO)CCc1ccc(OCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1,C44676009_decoy,GLCM,Decoy,0,-8.29142,-8.36,-3.2,-6.809265050303269
C=CC[NH+](CC=C)C[C@H](/C(C)=N/NC(N)=[NH2+])[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O,C48548090_decoy,GLCM,Decoy,0,-11.747,-6.85,-2.76,-10.844465178084093
CCN[C@H]([NH2+]CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(C(F)(F)F)[n-]c32)cc1OC,C19324627_decoy1,GLCM,Decoy,0,-7.31429,-7.44,,-7.54347112731122
CC(C)[NH+](C[C@H](O)COc1cccc2[nH]ccc12)C[C@H](O)COc1cccc2[nH]ccc12,C65743329_decoy,GLCM,Decoy,0,-7.02487,-8.51,-2.17,-9.051192702831653
CSCC[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1,C67194188_decoy,GLCM,Decoy,0,-10.4807,-6.58,-2.36,-7.063713448714453
COCCOC(=O)Nc1cccc(NC(=O)[C@@H](CCSC)NC(N)=O)c1,C67552745_decoy,GLCM,Decoy,0,-9.16475,-7.99,-3.14,-8.74876755862267
C=CCNC(=O)N[C@H]1C[C@@H](C(=O)N[C@@H](Cc2ccc(OC)cc2)C(N)=O)N(C(=O)CC(C)(C)C)C1,C03839073_decoy,GLCM,Decoy,0,-8.5788,-7.0,-4.37,-7.495638023754127
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])CCSC,C04026191_decoy,GLCM,Decoy,0,-10.3974,-6.55,-4.18,-10.46317333385077
CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+],C04556707_decoy,GLCM,Decoy,0,-9.47284,-7.04,-3.99,-8.940769598599788
C=CCNC(=S)Nc1cccc(NC(=O)C[C@@H]([NH2+]Cc2ccco2)C(=O)[O-])c1,C05258975_decoy,GLCM,Decoy,0,-7.49134,-6.33,-4.07,-6.143013580945124
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1,C05957686_decoy,GLCM,Decoy,0,-10.3711,-7.13,-4.3,-9.829527371206757
COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC,C06075037_decoy,GLCM,Decoy,0,-8.02144,-7.26,-3.31,-9.287095772966335
CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(CCOC)C(=O)c2snc(C(N)=O)c2N)cc1,C06462241_decoy,GLCM,Decoy,0,-8.31982,-6.89,-0.93,-9.24197644696432
CC[NH+](CC)CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1,C06511784_decoy,GLCM,Decoy,0,-9.15487,-6.83,-4.72,-9.668652235101971
CCOC(=O)CNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,C06546649_decoy,GLCM,Decoy,0,-8.85048,-7.11,-3.67,-10.224357906834673
CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1,C06600958_decoy,GLCM,Decoy,0,-9.05553,-7.33,-4.9,-9.214854445355677
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(OC)cc2)cc1,C06822038_decoy,GLCM,Decoy,0,-8.88877,-7.5,-3.46,-9.099866876939794
CCOC(=O)CNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1CC,C06860712_decoy,GLCM,Decoy,0,-8.17155,-6.76,-2.54,-6.235112454539991
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1,C06905012_decoy,GLCM,Decoy,0,-7.82268,-5.37,-4.71,-6.836698033606736
CC(C)CNC(=O)C[NH+](CC(=O)NCC(C)C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1,C07779504_decoy,GLCM,Decoy,0,-8.97922,-7.1,-3.07,-9.862399115258825
C=C(C)COc1ccc2c(C)c(CC(=O)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c(=O)oc2c1C,C08764219_decoy,GLCM,Decoy,0,-8.76851,-7.37,-1.76,-9.093361912262017
C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-],C01737547_decoy,GLCM,Decoy,0,-8.07966,-7.67,-2.1,-6.57366370639456
CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])ccc12,C08952410_decoy,GLCM,Decoy,0,-9.76341,-6.22,-3.26,-7.848098611062122
Cc1ccc([C@H](C(=O)NCCC(C)C)N(CC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1,C12479419_decoy,GLCM,Decoy,0,-9.05393,-7.41,-5.26,-9.07463736434138
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1cccc(Oc2ccccc2)c1,C13129719_decoy,GLCM,Decoy,0,-7.50393,-7.43,-3.94,-6.386498702281353
CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1,C06077433_decoy,GLCM,Decoy,0,-8.841,-7.88,-4.41,-9.733205724039376
[NH2+]=C(NCCCc1c[nH]cn1)NCCC[C@H](c1ccc(Cl)c(Cl)c1)c1ccccn1,C13816256_decoy,GLCM,Decoy,0,-10.5169,-7.31,-1.63,-9.119229859175988
NC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)NCC[NH+](CCO)CCO)cc3)cncc2s1,C13864433_decoy,GLCM,Decoy,0,-10.1314,-7.05,-2.75,-6.452274673314815
COc1cc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(OC)c1OCC(N)=O,C21739345_decoy,GLCM,Decoy,0,-9.16185,-8.39,-3.98,-7.616920064526949
COc1cc(C[NH2+]CCNC[C@H](C)O)cc(Br)c1OCC(N)=O,C22075594_decoy,GLCM,Decoy,0,-7.54059,-5.78,-2.3,-8.280089421493152
CCC(=O)Nc1cccc(NCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCCOC)c1C,C23145830_decoy,GLCM,Decoy,0,-9.30518,-7.86,-2.99,-7.805305886560091
CCc1ccccc1NC(=O)/C(CC(=O)/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=S)NN,C25586107_decoy,GLCM,Decoy,0,-7.32342,-7.8,-3.5,-7.518212034461459
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C=O)CCCC[NH3+])C(C)C,C26021419_decoy,GLCM,Decoy,0,-7.52461,-7.14,-2.2,-7.570285817558718
Cc1cccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(N)=[NH2+])c2F)n1,C29043699_decoy,GLCM,Decoy,0,-9.1156,-7.21,-3.17,-6.928778818751531
CC(=C\C(=O)[O-])/C=C(\C)C[C@@H](C)CCCC[C@@H](O)[C@@H](CO)C(=O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,C31166276_decoy,GLCM,Decoy,0,-8.32023,-7.79,-2.9,-8.269916446638144
COc1cc(C[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2cc(/C=C/CO)cc(OC)c2O)ccc1O,C31167913_decoy,GLCM,Decoy,0,-9.9257,-7.91,-3.0,-9.041874001542682
[H]/N=C(/N)N/N=C1/C(=O)N(CCCCCC)C(=O)C1=C([O-])NCCCCCC,C17176635_decoy,GLCM,Decoy,0,-7.59969,-6.37,-3.0,-5.9471113248851815
CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C\CC/C(C)=C\CS(=O)(=O)CC[NH+]=C(N)N,C17218644_decoy,GLCM,Decoy,0,-10.0464,-6.01,-2.72,-8.082332565612596
CC(C)C[C@H](NC(=O)c1csc([C@H]([NH3+])CCCCNC(=O)OCc2ccccc2)n1)C(N)=O,C33459869_decoy,GLCM,Decoy,0,-8.57795,-7.32,-4.6,-6.666597021195454
C=C[C@](C)(O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35466050_decoy,GLCM,Decoy,0,-8.53404,-7.53,-2.65,-8.45190524855631
NC(=[NH2+])c1ccc(CNC(=O)C2(NC(=O)[C@@H](CC3CCCCC3)[NH2+]CC(=O)[O-])CCCCC2)cn1,C36107671_decoy,GLCM,Decoy,0,-9.07436,-7.12,-3.28,-7.946661554449538
COc1cc(NC(=S)/N=C(/NCCc2c[nH]c[nH+]2)Nc2nc(C)cc(C)n2)cc(OC)c1OC,C14156527_decoy,GLCM,Decoy,0,-10.0302,-6.98,-2.85,-9.69762499773903
COc1ccc([C@@H](C(=O)NCCC(C)C)N(CCO)C(=O)c2snc(C(N)=O)c2N)cc1,C06134548_decoy,GLCM,Decoy,0,-8.89534,-5.52,-3.49,-7.397832560780976
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C,C06134943_decoy,GLCM,Decoy,0,-8.91978,-6.69,-2.07,-8.000320327494114
CCOCCCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(O)c(OC)c1,C06600099_decoy,GLCM,Decoy,0,-9.41729,-6.75,-2.43,-8.596801955941952
NC(=[NH2+])NCCC[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)NCc1ccc(C(F)(F)F)cc1,C39134235_decoy,GLCM,Decoy,0,-8.07938,-8.78,-2.12,-8.862441543111125
CN(C)c1ccc(C[NH+]2CCN(CCOC(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)CC2)cc1,C39200266_decoy,GLCM,Decoy,0,-8.76338,-8.2,-3.32,-7.710103334702831
COc1c(C)c(OC/C=C(\C)C(=O)OC[C@H](O)[C@H](O)[C@H](O)CO)cc(CO)c1CO,C39559841_decoy,GLCM,Decoy,0,-9.05378,-7.59,-3.2,-8.990333672351184
COC(=O)c1cc(Nc2ncnc(NCCCn3cc[nH+]c3)c2N)cc(C(=O)OC)c1,C40705922_decoy,GLCM,Decoy,0,-6.82974,-6.16,-2.56,-8.006176984698248
COC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NCc1c(CO)c[nH+]c(C)c1O,C44682097_decoy,GLCM,Decoy,0,-6.56758,-7.49,-4.37,-7.537965554364416
CCO/C([O-])=C1\C(COCC[NH+](CC(N)=O)CC(N)=O)=NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,C27646270_decoy,GLCM,Decoy,0,-10.2428,-6.76,-4.96,-9.187125477517688
CC[NH+](CC)c1ccc(CN(CCC[NH+](C)C)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,C21264113_decoy,GLCM,Decoy,0,-9.74825,-6.36,-2.37,-10.620254642788527
O=N/C=C1/C=CC(C(=O)NCCC[NH2+]CCCNC(=O)C2=CN/C(=C\N=O)C=C2)=CN1,C15952507_decoy,GLCM,Decoy,0,-6.71033,-5.91,-3.27,-5.504946700920995
CCOc1ccc([C@H](CNC(=O)C[C@@H](NC(N)=O)c2ccccc2C)C2=c3ccccc3=[NH+]C2)cc1OC,C63117439_decoy,GLCM,Decoy,0,-9.45068,-8.09,-3.64,-8.714893451619728
CC[NH+](CC)c1ccc(NC(=O)COC(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(N)=O)cc1,C63209609_decoy,GLCM,Decoy,0,-6.56716,-7.99,-4.25,-6.747615019533049
CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C,C64858851_decoy,GLCM,Decoy,0,-8.55914,-7.23,-5.32,-8.771831838263168
C=CCOC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)N[C@@H](CO)CC(C)C,C04237019_decoy,GLCM,Decoy,0,-10.6402,-7.24,-2.06,-9.816731100734168
CCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+],C04556708_decoy,GLCM,Decoy,0,-10.0616,-7.17,-3.42,-9.853001028266965
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-],C05294153_decoy,GLCM,Decoy,0,-8.31843,-7.33,-3.47,-9.355673980497794
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](CC(C)C)C(=O)NCCC(C)C)cc1,C06134079_decoy,GLCM,Decoy,0,-7.56135,-6.45,-3.79,-5.7159783860495486
COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1OC,C06134126_decoy,GLCM,Decoy,0,-9.39209,-7.15,-5.41,-9.614807757218369
COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1,C06134232_decoy,GLCM,Decoy,0,-8.17966,-7.12,-4.29,-6.310625279005597
COc1cc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)ccc1O,C06134410_decoy,GLCM,Decoy,0,-8.05966,-6.78,-3.12,-6.592953676429015
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1OC,C06134595_decoy,GLCM,Decoy,0,-9.14402,-6.65,-4.64,-9.52679974181906
CCCC[C@@H](C(=O)NCCC(C)C)N(C[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N,C06481373_decoy,GLCM,Decoy,0,-8.44202,-6.51,-3.7,-9.498997589626695
CCC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N,C06500938_decoy,GLCM,Decoy,0,-9.24734,-6.17,-2.55,-9.066155310738386
CCC[C@@H](C(=O)NC1CCCC1)N(CCCOCC)C(=O)c1snc(C(N)=O)c1N,C06501016_decoy,GLCM,Decoy,0,-8.69335,-6.47,-3.38,-9.873666498484454
CCC[C@H](C(=O)NCCC(C)C)N(CCc1ccc(OC)c(OC)c1)C(=O)c1snc(C(N)=O)c1N,C06501452_decoy,GLCM,Decoy,0,-9.50087,-7.51,-4.31,-11.17152214176908
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CC[NH+](C)C)C(=O)c2snc(C(N)=O)c2N)cc1,C06878667_decoy,GLCM,Decoy,0,-8.03582,-7.42,-1.94,-8.706630338314135
CC(C)CNC(=O)C[NH+](CC(=O)NCC(C)C)[C@H](C)c1ccc(S(N)(=O)=O)cc1,C07779505_decoy,GLCM,Decoy,0,-7.67518,-7.6,-4.21,-8.781869808265604
CCCCCN(CC(=O)NC(=O)NC(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O,C11339038_decoy,GLCM,Decoy,0,-8.02588,-7.34,-2.11,-8.388432927751698
CCC[C@@H](C(=O)NCCC(C)C)N(CCCOCC)C(=O)c1snc(C(N)=O)c1N,C06501144_decoy,GLCM,Decoy,0,-8.66346,-6.59,-3.38,-9.225028199083464
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC[NH3+])c(=O)cc1[C@@H](NC(C)=O)CC2,C12656292_decoy,GLCM,Decoy,0,-9.79075,-7.26,-2.67,-8.450763745895499
C=C(C)COc1ccc2c(C)c(CC(=O)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(=O)oc2c1C,C12896810_decoy,GLCM,Decoy,0,-8.77646,-9.01,-2.43,-13.197838200209748
CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O,C05423795_decoy,GLCM,Decoy,0,-7.33291,-7.4,-2.78,-6.017527968471144
[NH2+]=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccccn1)c1ccccc1Cl,C13816122_decoy,GLCM,Decoy,0,-11.1753,-6.96,-1.18,-8.45338564957509
[NH2+]=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccc(F)cc1)c1cccnc1,C13816221_decoy,GLCM,Decoy,0,-8.05866,-7.35,-3.54,-7.629068877388904
Cc1cc(C)nc(N/C(=N/C(=S)NCc2ccco2)NCCc2ccc(S(N)(=O)=O)cc2)n1,C14157932_decoy,GLCM,Decoy,0,-10.4152,-7.48,-4.32,-8.127751703365963
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCC(=O)NC(C)(C)C,C16322871_decoy,GLCM,Decoy,0,-8.14317,-7.7,-3.22,-7.262645604985881
CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCc1ccc(F)cc1,C16688490_decoy,GLCM,Decoy,0,-8.7311,-8.32,-2.26,-7.392808456283436
CCN[C@H]([NH2+]CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3[n-]c(C(F)(F)F)nc32)cc1OC,C19324627_decoy2,GLCM,Decoy,0,-7.03168,-7.02,,-5.987036337256688
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc(C)c(CC(N)=O)s2)c(=O)[nH]c1=O,C24901903_decoy,GLCM,Decoy,0,-8.31466,-7.26,-3.17,-8.375283703969162
CCCNC(=S)NNC(=O)[C@H](CCC)NC(=O)NCc1ccc(F)cc1,C26677775_decoy,GLCM,Decoy,0,-8.01994,-7.28,-2.21,-6.38433328344125
C[NH2+]Cc1ccc(CSCCN/C(=N\S(C)(=O)=O)NC[C@@H](O)c2ccc(O)cc2)o1,C26892158_decoy,GLCM,Decoy,0,-7.89052,-7.67,-3.19,-7.028050023064866
Cc1ccnc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(N)=[NH2+])c2F)c1,C29042452_decoy,GLCM,Decoy,0,-9.29923,-8.64,-3.42,-8.163066571059217
C[C@]12C[C@@H](Cc3ccccc3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)CS2,C29126141_decoy,GLCM,Decoy,0,-11.6093,-8.6,-2.03,-9.7446082730304
CC(=O)O[C@H](C[C@H](O)[C@](C)(O)CCC=C(C)C)/C(C)=C/COC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO,C31161882_decoy,GLCM,Decoy,0,-9.94782,-7.9,-3.51,-8.96162159517667
CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C\CC/C(=C/CS(=O)(=O)CC[NH+]=C(N)N)CO,C17218659_decoy,GLCM,Decoy,0,-10.3592,-7.08,-3.88,-11.179486003997573
CC(C)C[C@@H](NC(=O)c1csc([C@@H]([NH3+])CCCCNC(=O)OCc2ccccc2)n1)C(N)=O,C33459866_decoy,GLCM,Decoy,0,-8.71108,-6.88,-5.52,-7.044425731310576
C=C[C@@](C)(O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35050063_decoy,GLCM,Decoy,0,-8.10022,-8.35,-2.2,-11.097107497094289
C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C35465649_decoy,GLCM,Decoy,0,-6.79361,-8.39,-2.82,-6.980429944702935
CC(C)CCNC(=O)[C@@H](CC(C)C)N(Cc1ccc2c(c1)OCO2)C(=O)c1snc(C(N)=O)c1N,C06134080_decoy,GLCM,Decoy,0,-7.60145,-7.97,-1.97,-8.671779671260687
CC[C@@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1)C(=O)OC,C06631998_decoy,GLCM,Decoy,0,-8.62226,-6.12,-3.4,-6.743902400040847
C=C[C@](C)(CC/C=C(\C)CC[C@H](O)C(C)(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C36374535_decoy,GLCM,Decoy,0,-7.6601,-8.26,-2.14,-7.938512516575025
CC1=C(CC/C(C)=C\COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)(C)[C@H](C)CC1,C31165656_decoy,GLCM,Decoy,0,-9.63077,-8.1,-3.32,-12.159059987291275
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C)C(N)=O)C(C)C,C04388859_decoy,GLCM,Decoy,0,-6.62548,-7.37,-3.31,-5.747000978725006
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(N)=O)c1C)C(C)C,C41856179_decoy,GLCM,Decoy,0,-7.82806,-7.08,-3.47,-6.992910681464814
CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)C(C)C)cc1,C44710262_decoy,GLCM,Decoy,0,-7.80711,-6.45,-4.16,-5.434454449287113
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)NCc1ccncc1,C52594634_decoy,GLCM,Decoy,0,-5.23833,-8.92,-1.74,-8.127124430666537
C=CCNC(=S)NCCCN1CC[NH+](CCCNC(=S)NCC=C)CC1,C19690753_decoy,GLCM,Decoy,0,-10.2171,-5.8,-2.92,-8.115647305658873
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(Nc3ccccc3)cc2)NCCc2c[nH]c[nH+]2)n1,C14156533_decoy,GLCM,Decoy,0,-9.62578,-9.07,-2.67,-9.47820928602343
Cc1cc(C)nc(N/C(=N/C(=S)Nc2cccc(OC(F)(F)F)c2)NCCc2c[nH]c[nH+]2)n1,C14156570_decoy,GLCM,Decoy,0,-10.4835,-8.46,-2.14,-9.721887694024824
CC[NH+](CC)c1ccc(NC(=O)COC(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(N)=O)cc1,C63209611_decoy,GLCM,Decoy,0,-6.47629,-8.37,-3.72,-6.847604399131769
COc1c(O)c(C)c(CCCCCCCCCCO)c(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)c1OC,C65742898_decoy,GLCM,Decoy,0,-8.12332,-6.43,-3.97,-7.641078277512261
CCOCCC/[NH+]=C(/NCCCS(N)(=O)=O)NCc1ccc(OC)cc1,C66245699_decoy,GLCM,Decoy,0,-9.34971,-6.42,-2.55,-9.59649874901942
COc1cc(C[NH2+]CCC(=O)NC2CCCC2)cc(OC)c1OCC(N)=O,C67221600_decoy,GLCM,Decoy,0,-8.06172,-6.66,-4.18,-8.276744785021206
CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1,C04161220_decoy,GLCM,Decoy,0,-8.20878,-7.98,-1.99,-10.53699927820534
CCc1cc([N+](=O)[O-])c(NC[C@@H](O)[C@@H](O)[C@H](O)CO)cc1Br,C04760369_decoy,GLCM,Decoy,0,-7.95811,-7.09,-1.55,-11.322510075223564
NC(=[NH2+])NCCC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)[O-],C02379267_decoy,GLCM,Decoy,0,-6.29459,-5.85,-1.45,-6.789270997407254
CCCCc1[nH]nc2c1[C@@H](c1ccc(OCC(N)=O)c(OC)c1)C(C#N)=C(N)O2,C06264710_decoy,GLCM,Decoy,0,-7.40512,-5.75,-3.96,-4.703483443010139
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN)c(OC)c1,C06463339_decoy,GLCM,Decoy,0,-7.09174,-7.12,-2.74,-7.096327250951919
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1,C06551584_decoy,GLCM,Decoy,0,-6.3642,-7.74,-2.58,-5.836481106606669
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cc(C)cc(C)c1,C06778296_decoy,GLCM,Decoy,0,-6.70839,-7.23,-2.3,-5.733750836885217
COC(=O)CSc1nnc(N)n1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,C01923499_decoy,GLCM,Decoy,0,-8.7088,-7.05,-3.56,-9.647272135066956
NC(=O)N[C@H](CC(=O)NNC(=O)CSc1ccc(Cl)cc1)c1ccc(Cl)cc1,C09513868_decoy,GLCM,Decoy,0,-7.98857,-6.41,-4.38,-6.715241454182322
CCCCCN(CC(N)=O)c1c(N)n(CCCC)c(=O)[nH]c1=O,C11338872_decoy,GLCM,Decoy,0,-6.88662,-6.7,-3.23,-5.607080277207306
COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c1,C20527448_decoy,GLCM,Decoy,0,-6.99877,-6.91,-2.97,-5.956005627711539
CSc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N,C20806538_decoy,GLCM,Decoy,0,-7.81346,-8.21,-4.98,-7.251995209016508
Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NNC(=O)C(F)(F)F,C20915833_decoy,GLCM,Decoy,0,-7.35176,-8.96,-2.95,-7.448756680264758
COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)c1O,C21318768_decoy,GLCM,Decoy,0,-7.45447,-7.93,-3.31,-6.769514825461772
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl,C25386494_decoy,GLCM,Decoy,0,-8.19268,-7.47,-1.87,-6.513568004405259
Cc1cc(NNC(=S)SCC(=O)N[C@H](O)C(Cl)(Cl)Cl)nc(N)n1,C26949895_decoy,GLCM,Decoy,0,-9.86684,-5.19,-2.95,-7.602983414507835
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=S)NC1CCCCC1,C28631908_decoy,GLCM,Decoy,0,-8.77013,-7.57,-1.69,-6.47578802980572
NC(=O)COc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1,C29299756_decoy,GLCM,Decoy,0,-6.12693,-7.2,-1.98,-5.345229927209777
CC(C)[C@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)NC(N)=O,C29664631_decoy,GLCM,Decoy,0,-8.80577,-7.21,-2.13,-6.288332004244636
C=C[C@](C)(O)CC/C=C(\C)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C31160556_decoy,GLCM,Decoy,0,-7.84781,-8.19,-0.92,-8.798159452874412
C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCC(C)(C)O,C31169927_decoy,GLCM,Decoy,0,-7.51088,-6.53,-1.31,-6.031594851072825
CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1,C06821034_decoy,GLCM,Decoy,0,-8.60968,-5.88,-4.14,-8.474574216161116
CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1,C02643848_decoy,GLCM,Decoy,0,-6.21572,-6.01,-1.72,-4.771515870863847
CCOC(=O)[C@H]1NNS[C@H]1NC(=O)NCCc1c[nH]c2ccc(OC)cc12,C39337599_decoy,GLCM,Decoy,0,-9.63382,-7.5,-1.66,-9.601755626040545
C/C(=N\NC(=O)CCCC(=O)N/N=C(\C)c1ccc(N)cc1)c1ccc(N)cc1,C39345024_decoy,GLCM,Decoy,0,-6.93938,-8.58,-3.78,-7.668694263120993
C[NH+]1[C@@H](SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])NN[C@H]1c1ccccc1,C39691649_decoy,GLCM,Decoy,0,-8.11552,-9.3,-4.19,-6.60396693480008
COCCCNc1ncnc(Nc2ccc(NC(C)=O)cc2)c1N,C40757288_decoy,GLCM,Decoy,0,-6.32088,-7.23,-2.67,-5.155657007727121
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)NC[C@@H]1CCCO1,C42084704_decoy,GLCM,Decoy,0,-7.10501,-7.68,-3.42,-5.836363407990842
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=S)NC[C@@H]1CCCO1,C42084706_decoy,GLCM,Decoy,0,-7.29733,-6.6,-3.57,-5.78502181576015
C/C=C/C#CC#C[C@H](O)[C@@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C44460322_decoy,GLCM,Decoy,0,-8.80759,-7.21,-2.43,-6.348539055179911
C/C=C/C#CC#C[C@@H](O)[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C44460325_decoy,GLCM,Decoy,0,-9.65491,-8.16,-1.42,-10.263189808131536
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1cccc(NC(=O)COC)c1,C45155303_decoy,GLCM,Decoy,0,-8.00209,-5.94,-1.38,-8.405864688846243
CC(C)CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OCC(N)=O)cc1,C28362272_decoy,GLCM,Decoy,0,-6.72386,-6.6,-1.94,-5.444550775331914
COC(=O)NC(=S)Nc1cc2nc[nH]c2cc1NC(=S)NC(=O)OC,C48524533_decoy,GLCM,Decoy,0,-7.72118,-6.88,-2.04,-7.5638545142215134
CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1,C50122296_decoy,GLCM,Decoy,0,-5.49864,-5.99,-3.16,-5.803809493045175
COC(=O)Nc1cccc(NC(=O)[C@@H](CCSC)NC(N)=O)c1,C55512368_decoy,GLCM,Decoy,0,-5.87737,-5.3,-2.57,-3.941217180299
COc1ccccc1OCC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(N)=O)c1,C56202753_decoy,GLCM,Decoy,0,-8.06369,-9.03,-3.42,-11.484494184567495
Cc1ccc(NC(=S)NNC(=O)[C@H](CC(C)C)NC(N)=O)c(C)c1,C29491144_decoy,GLCM,Decoy,0,-7.21427,-6.57,-3.53,-6.344508097970558
CC(C)C[C@H](NC(N)=O)C(=O)NNC(=S)NC[C@@H]1CCCO1,C58177445_decoy,GLCM,Decoy,0,-8.06138,-6.49,-2.34,-7.759783349123324
CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)cc1,C59814610_decoy,GLCM,Decoy,0,-8.56007,-7.88,-4.96,-8.800425413645195
COCCn1cc(/C=N/NC(=O)CSc2nc(N)cc(N)n2)cn1,C59913947_decoy,GLCM,Decoy,0,-7.29151,-7.96,-4.63,-6.76421550256782
C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NC(C(N)=O)C(N)=O,C50099389_decoy,GLCM,Decoy,0,-8.72006,-7.84,-4.09,-10.90314309936772
C[C@H](NC(=O)Nc1ccccc1SCC(N)=O)C(=O)NCc1ccco1,C62389294_decoy,GLCM,Decoy,0,-7.01368,-6.78,-5.36,-6.34001845124414
CC(C)COC(=O)Nc1cccc(NC(=O)[C@@H](NC(N)=O)C(C)C)c1,C63123127_decoy,GLCM,Decoy,0,-7.8472,-6.45,-3.11,-8.492349994236994
CCOCCCNC(=O)NNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1,C63839188_decoy,GLCM,Decoy,0,-7.20564,-7.96,-3.59,-6.0641162611762045
COCCNC(=O)NNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C64900116_decoy,GLCM,Decoy,0,-7.73591,-8.38,-3.42,-9.305803092268569
COc1ccc([C@](CC/C(N)=N\O)(/C(N)=N\O)C(C)C)cc1OC,C66146224_decoy,GLCM,Decoy,0,-8.32582,-7.51,-1.21,-6.7185338878130185
C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCc1n[nH]c(N)c1C#N,C66954472_decoy,GLCM,Decoy,0,-7.33569,-8.24,-3.2,-6.80063488869311
CCOCCCNC(=O)NNC(=O)c1cc(F)cc([N+](=O)[O-])c1N,C67310110_decoy,GLCM,Decoy,0,-5.30938,-8.34,-2.14,-5.424141534745599
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NNC(=S)NC2CCCC2)c1,C67469624_decoy,GLCM,Decoy,0,-6.88289,-6.34,-2.01,-6.11332558651918
NC(=[NH2+])N1CCN(C(N)=[NH2+])CC1,C00309664_decoy,GLCM,Decoy,0,-8.45972,-4.86,-0.5,-4.169853072360422
C[C@@H]([NH3+])S(=O)(=O)[C@@H](C)[NH3+],C05527863_decoy,GLCM,Decoy,0,-6.93523,-3.66,-0.35,-4.249494315670715
NC(=[NH2+])C[NH3+],C06691140_decoy,GLCM,Decoy,0,-5.22899,-3.37,-0.56,-2.6289452662196955
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CC=CCC1,C13529433_decoy,GLCM,Decoy,0,-6.50587,-6.47,-1.48,-6.626432698083644
C/C(C/C(C)=N/NC(N)=[NH2+])=N\NC(N)=[NH2+],C17002862_decoy,GLCM,Decoy,0,-8.89969,-6.17,-2.08,-10.662511908609092
NC(=O)c1nc(CC[NH3+])[nH]c1N,C16924180_decoy,GLCM,Decoy,0,-6.32508,-5.88,-1.36,-5.921397415034967
NC(=O)CC([NH3+])CC(N)=O,C19518195_decoy,GLCM,Decoy,0,-6.01055,-5.63,-1.34,-8.788442920577655
CNC(=O)NC(=O)[C@@H](C)[NH+](C)CCC[NH3+],C20420034_decoy,GLCM,Decoy,0,-6.38233,-5.69,-2.38,-8.367619045226858
CC1(C)C(=O)N(CCC[NH3+])C(=O)N1CCC[NH3+],C22007787_decoy,GLCM,Decoy,0,-8.05936,-5.33,-1.92,-7.689841971935086
NC(=[NH2+])S/C=C\CSC(N)=[NH2+],C17424159_decoy,GLCM,Decoy,0,-8.28898,-3.79,-1.34,-6.533657764258373
C[C@H]([NH3+])CN[C@@H](C)C[NH3+],C33506704_decoy,GLCM,Decoy,0,-6.26788,-4.68,-2.77,-6.105530354411121
CC[C@@H](C[NH3+])CC[NH3+],C33605180_decoy,GLCM,Decoy,0,-6.64493,-2.85,-0.49,-3.7460768644368896
N[C@]1(C[NH3+])C[NH+]2CCC1CC2,C35676960_decoy,GLCM,Decoy,0,-6.69761,-5.04,-0.84,-3.616716784977561
NC(=O)CN1CC[NH+](CCC[NH3+])CC1,C19688199_decoy,GLCM,Decoy,0,-6.61427,-5.85,-1.62,-6.739231519094476
CN1CCc2c3c(N)nc(N)[nH]c-3[nH+]c(=O)c2C1,C20612246_decoy,GLCM,Decoy,0,-8.31612,-8.21,-4.12,-6.953745889188149
NS(=O)(=O)CCNC(=O)C(=O)NCC[NH3+],C36744535_decoy,GLCM,Decoy,0,-8.77028,-5.49,-0.66,-7.250677372118102
NC(=O)CC[NH2+]CC(=O)NC(N)=O,C36747348_decoy,GLCM,Decoy,0,-6.17429,-6.05,-0.95,-8.348353242052863
C[C@H](C(N)=O)[NH+]1CCCN(CC[NH3+])CC1,C37039759_decoy,GLCM,Decoy,0,-7.38047,-5.91,-0.5,-6.546513935741827
C[C@H](C[NH3+])C[NH+]1CCN(CC(N)=O)CC1,C37048970_decoy,GLCM,Decoy,0,-6.88499,-6.23,-0.9,-6.961505201385602
C[C@H](C[NH+]1CCN(CCC[NH3+])CC1)C(N)=O,C37227016_decoy,GLCM,Decoy,0,-7.09854,-5.17,-0.98,-4.608404872527752
C[NH+](CC(N)=O)[C@H]1CCC[C@@H]1C[NH3+],C37268339_decoy,GLCM,Decoy,0,-6.17277,-5.41,-0.73,-6.265345719805719
C[C@H]([NH2+]CCCC(N)=O)C(N)=O,C37660304_decoy,GLCM,Decoy,0,-5.245,-5.34,-1.97,-5.922056844086226
CC(C)(C)OC(=O)N[C@@H](N)CC[NH3+],C39091091_decoy,GLCM,Decoy,0,-5.58368,-4.25,-2.13,-4.065982021592331
[NH3+]NC[C@@H]1[NH+]=c2ccccc2=[NH+]C1=O,C39115395_decoy,GLCM,Decoy,0,-5.16999,-7.38,-0.12,-4.267590467927173
[NH3+]C1(c2nc(-c3n[nH]c(=O)[nH]3)c[nH]2)CCC1,C42040257_decoy,GLCM,Decoy,0,-7.44609,-7.61,0.33,-4.730858832921435
CC(C)[NH+](CC(N)=O)C[C@@H](C)C[NH3+],C42428575_decoy,GLCM,Decoy,0,-5.67012,-5.8,-3.11,-7.524712756904532
Cc1[nH]c(NCCCn2cc[nH+]c2)c(N)[nH+]1,C42871780_decoy,GLCM,Decoy,0,-6.39193,-6.25,-0.57,-6.320888928799281
CC(=O)OC(C)(C[NH3+])C[NH3+],C44250102_decoy,GLCM,Decoy,0,-6.73671,-4.87,-0.98,-7.762318610651362
NC(=O)C[C@@H](N)[C@@H]([NH3+])CC(N)=O,C44250592_decoy,GLCM,Decoy,0,-6.76644,-5.32,-0.9,-4.767118053992017
C[NH+](C)CC1([C@@H](N)C[NH3+])CCCC1,C44473052_decoy,GLCM,Decoy,0,-6.70914,-5.1,-1.42,-6.574057138527806
CN1CC[NH+](CC(C)(C)[C@H](N)C[NH3+])CC1,C44473976_decoy,GLCM,Decoy,0,-6.04863,-5.02,-0.62,-4.061117024398777
CNC(=O)NC(=O)[C@@H](C)[NH+]1CCCC[C@@H]1C[NH3+],C44559211_decoy,GLCM,Decoy,0,-6.79069,-6.48,-3.09,-7.37969203138848
[NH3+]NC1=c2ccccc2=C(N[NH3+])CC1,C44830400_decoy,GLCM,Decoy,0,-5.59587,-1.64,-0.78,-2.274375801785841
Nc1nc(N)nc(C[NH+](CCO)CCO)n1,C49753798_decoy,GLCM,Decoy,0,-6.49079,-6.43,-1.04,-5.30392708086221
NC(=[NH2+])CCn1cnc2c(N)ncnc21,C43461245_decoy,GLCM,Decoy,0,-6.10644,-5.12,-0.62,-3.9801941457724817
Nc1cc(N2CC[NH2+]CC2)cc(S(N)(=O)=O)c1,C50607439_decoy,GLCM,Decoy,0,-7.53721,-7.08,0.05,-6.733267361554612
CC(C)[NH+](CC(N)=O)CC1(O)CC[NH2+]CC1,C51016167_decoy,GLCM,Decoy,0,-6.57329,-6.34,-1.19,-7.34009941996161
CC(C)[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1,C51694740_decoy,GLCM,Decoy,0,-8.01544,-5.15,-1.12,-6.477523787535462
C[C@@H](O)C[NH+](C)CCC(N)=[NH2+],C51820781_decoy,GLCM,Decoy,0,-5.31046,-3.76,-1.14,-3.7157461034572767
C[NH+](C)CCCCNC(N)=[NH2+],C52035790_decoy,GLCM,Decoy,0,-6.80003,-3.82,-1.09,-4.394100206431725
NNC(=[NH2+])c1cc[nH+]c(N)c1,C39136663_decoy,GLCM,Decoy,0,-8.25392,-4.35,-0.5,-5.164789691403426
[NH3+]Cc1cncc(C[NH3+])c1,C54967456_decoy,GLCM,Decoy,0,-6.83119,-4.38,-1.28,-3.2719644110372053
C[NH+](C)CCNC1(C(N)=O)CC[NH2+]CC1,C40695220_decoy,GLCM,Decoy,0,-6.65101,-5.69,-0.56,-6.787549465437294
C[C@H](NC(=O)C1(C[NH3+])CCCC1)C(N)=O,C44762752_decoy,GLCM,Decoy,0,-6.73897,-5.26,-1.15,-4.868468021621485
CN(CC[C@](C)([NH3+])C(N)=O)C1CC[NH+](C)CC1,C45231546_decoy,GLCM,Decoy,0,-7.87142,-6.43,-1.32,-10.897455179852413
C[NH+]1CCC(NC(N)=[NH2+])CC1,C53278524_decoy,GLCM,Decoy,0,-7.26416,-4.05,-0.61,-3.585808147601322
[NH3+]CCCNCc1c[nH]c[nH+]1,C54765001_decoy,GLCM,Decoy,0,-7.8819,-4.95,-0.64,-7.683676063771368
[NH3+]CCN(CC[NH3+])c1ncnc2c1CCC2,C61806489_decoy,GLCM,Decoy,0,-7.71978,-6.39,-0.41,-8.193367435808973
NC(=O)CN(CC(N)=O)[C@H]1CCCC[C@H]1[NH3+],C61808399_decoy,GLCM,Decoy,0,-6.69307,-4.98,-2.3,-4.446688981511625
Nc1ncc(C[NH2+]CC2CC[NH2+]CC2)cn1,C62718367_decoy,GLCM,Decoy,0,-6.43457,-6.65,-0.91,-6.118411874172003
Cc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccn3)nc2c1,C00005761_decoy,GLCM,Decoy,0,-6.99042,-6.22,-2.36,-5.1581510880348365
CNc1nc(SCc2ccccc2)nc(-c2ccc(C)cc2)c1C#N,C01383198_decoy,GLCM,Decoy,0,-6.37063,-6.55,-1.77,-5.967495901240251
C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(Cl)cc1)C2,C02469580_decoy,GLCM,Decoy,0,-7.19318,-6.23,-1.66,-6.508656916969617
CCc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C)c3C)C2=O)cc1,C00947606_decoy,GLCM,Decoy,0,-6.18591,-6.35,-2.36,-5.337655849831748
N#Cc1ccc(CSc2ccc(-c3nc4ccccc4[nH]3)cn2)cc1,C01329610_decoy,GLCM,Decoy,0,-6.39068,-8.1,-1.51,-11.215757663134996
CC(/C=C1\SC(N(C)c2ccc(O)cc2)=NC1=O)=C\c1ccccc1,C05151374_decoy,GLCM,Decoy,0,-7.58404,-6.76,-1.03,-6.115468864052193
Cc1cccc(OCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1,C00584703_decoy,GLCM,Decoy,0,-6.96409,-7.64,-4.67,-5.37530129328067
Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1,C03102634_decoy,GLCM,Decoy,0,-6.68841,-6.66,-2.31,-10.012091595622026
CC(C)c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1,C05822281_decoy,GLCM,Decoy,0,-7.49724,-6.04,-2.08,-4.922472364718458
Cc1ccc(C)c(OCC(=O)N/N=C/c2c(F)cccc2Cl)c1,C00565572_decoy,GLCM,Decoy,0,-6.71489,-8.03,-1.68,-7.193377124700267
O=C(c1c[nH]c2ccccc12)[C@@H]1O[C@H]1c1ccc(-c2ccccc2Cl)o1,C03305494_decoy,GLCM,Decoy,0,-5.8914,-8.2,-1.37,-5.8844267921778215
CCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3,C06310635_decoy,GLCM,Decoy,0,-7.64939,-6.91,-2.52,-6.3273398523890965
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)C1,C10151431_decoy,GLCM,Decoy,0,-6.76992,-7.41,-1.44,-6.894693759634392
COc1ccc(C=NNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1,C12367887_decoy,GLCM,Decoy,0,-7.70737,-8.34,-1.05,-5.85102902650333
O=c1[nH]c(SCc2csc(-c3cccs3)n2)nc2sccc12,C12884096_decoy,GLCM,Decoy,0,-7.77448,-6.54,-3.43,-4.285046727149072
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C1\CCCc2ccccc21,C14031554_decoy,GLCM,Decoy,0,-6.4583,-7.61,-1.9,-5.598905817051737
CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2,C15017944_decoy,GLCM,Decoy,0,-8.08702,-6.37,-1.93,-4.971617879395813
Cc1ccc(Cn2cnc(O)c(Cc3cc(C)ccc3C)c2=O)c(C)c1,C16882611_decoy,GLCM,Decoy,0,-7.40003,-6.96,-2.33,-4.778095363853725
Cc1ccc(Cc2c(O)nc(C)n(Cc3ccc(Cl)cc3)c2=O)c(C)c1,C16882993_decoy,GLCM,Decoy,0,-8.29996,-8.43,-4.6,-4.504924526349513
Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Br,C20088319_decoy,GLCM,Decoy,0,-6.21678,-5.56,-3.54,-5.397893718767785
CCc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1,C20672140_decoy,GLCM,Decoy,0,-7.1444,-6.45,-4.61,-4.710194639061841
O=C1C[C@@H](C(F)(F)F)N(C(=O)CSC2CCCC2)c2ccccc2N1,C21330670_decoy,GLCM,Decoy,0,-6.29931,-8.06,-1.49,-5.227517327620546
C[C@@H]1C[C@@H](C)CN(c2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)C1,C22451368_decoy,GLCM,Decoy,0,-7.57594,-8.47,-1.45,-5.589282584122991
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ncc(Cl)cc1Cl,C27974665_decoy,GLCM,Decoy,0,-7.04203,-8.11,-2.23,-6.369485705440172
Cc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)c1,C12447038_decoy,GLCM,Decoy,0,-7.43713,-6.4,-1.75,-4.720980210464509
CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2,C33271179_decoy,GLCM,Decoy,0,-7.76073,-6.12,-2.93,-4.368332617787472
Cc1ccn2c(NC(=O)CC(C)(C)C)c(-c3cccc(F)c3)nc2c1,C34913283_decoy,GLCM,Decoy,0,-5.47759,-5.86,-1.02,-4.981453477137467
COc1ccc(-c2n[nH]c(S[C@H](C)c3ccccc3Cl)n2)cc1,C06154880_decoy,GLCM,Decoy,0,-7.24911,-7.32,-2.06,-6.299455974399962
Cc1ccc([C@@H](C)Nc2cc(Br)ccc2F)cc1[N+](=O)[O-],C36750638_decoy,GLCM,Decoy,0,-5.09767,-6.77,-1.09,-5.057190955548093
Cc1ccc(N[C@@H](C)c2ccccc2Br)c([N+](=O)[O-])c1,C37059814_decoy,GLCM,Decoy,0,-5.81132,-5.54,-4.42,-3.5052462011870973
CCc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cc1,C37139986_decoy,GLCM,Decoy,0,-6.07038,-5.2,-1.42,-3.932126024790007
O=[N+]([O-])c1cc(NCc2c(Cl)ccc(Cl)c2Cl)ccc1F,C37299269_decoy,GLCM,Decoy,0,-8.20754,-7.8,-1.67,-5.751053213552365
Cc1c(N[C@H](C)c2ccc(F)c(Br)c2)cccc1[N+](=O)[O-],C37299521_decoy,GLCM,Decoy,0,-5.10665,-5.84,-1.5,-4.036461920471695
C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1,C37299597_decoy,GLCM,Decoy,0,-6.25706,-5.85,-2.67,-3.959970177486416
Cc1cc([N+](=O)[O-])ccc1NCc1c(Cl)ccc(Cl)c1Cl,C37299799_decoy,GLCM,Decoy,0,-7.14672,-5.73,-1.82,-4.507052371779551
CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N(C)C)cc2)cc1,C00710801_decoy,GLCM,Decoy,0,-8.06252,-8.1,-2.21,-10.114671458991689
CCCCSc1nc2sc3c(c2c(=O)[nH]1)C[C@@](C)(CC)OC3,C02197325_decoy,GLCM,Decoy,0,-9.03034,-5.71,-1.24,-5.09306593489942
N#C/C(=C\c1ccc(Sc2ccccc2)o1)c1nc2ccccc2[nH]1,C04738980_decoy,GLCM,Decoy,0,-7.56188,-7.71,-1.6,-4.899961331446197
COc1cc(OC)c(NC(=O)c2csc3c2CC[C@@H](C)C3)cc1Cl,C05070165_decoy,GLCM,Decoy,0,-7.80114,-7.09,-2.12,-8.638121580194703
CC(C)Oc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)NC2=O,C03180029_decoy,GLCM,Decoy,0,-6.23234,-6.75,-2.58,-5.151061377923229
FC(F)(F)c1cc(Nc2cccc(Cl)c2)nc(-c2cccnc2)n1,C40896475_decoy,GLCM,Decoy,0,-6.29615,-8.97,-4.83,-5.611783750734086
Cc1cc(OC(C)C)ccc1NC(=O)N(C)[C@H](C)c1ccccc1F,C48122872_decoy,GLCM,Decoy,0,-5.67283,-6.25,-3.61,-4.336971803924646
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1,C17837411_decoy,GLCM,Decoy,0,-7.32645,-5.34,-3.47,-5.769615715769721
CCc1c(C)[nH]c2c(-c3ccccc3)c(Cc3ccccc3)nn2c1=O,C08914851_decoy,GLCM,Decoy,0,-6.51317,-6.42,-1.15,-4.426747563957403
C[C@]1(NC(=O)c2ccc(SC(F)(F)F)cc2)CCS(=O)(=O)C1,C22551524_decoy,GLCM,Decoy,0,-6.25739,-6.4,-1.22,-7.179596387978085
C[C@@]1(NC(=O)c2ccc(SC(F)(F)F)cc2)CCS(=O)(=O)C1,C22551522_decoy,GLCM,Decoy,0,-6.88306,-5.75,-1.07,-5.655617136893073
C/C(=N/NC(=O)COc1ccc(C)cc1C)c1ccc2ccccc2c1,C34988055_decoy,GLCM,Decoy,0,-5.54516,-6.72,-2.03,-4.470879886866935
O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[C@@H](Nc2ccccc2)C1,C60370099_decoy,GLCM,Decoy,0,-7.26971,-8.57,-1.07,-5.116101472294594
CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccccc2C1,C66193239_decoy,GLCM,Decoy,0,-7.29495,-6.64,-1.75,-4.963417566978076
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H]1c1cccs1,C66343303_decoy,GLCM,Decoy,0,-7.21706,-8.07,-2.87,-5.964469719074315
CC(=O)N1CC[C@H](NS(=O)(=O)c2cccs2)C[C@H]1C(=O)N[C@H](CC(C)C)C(N)=O,C08295023_decoy,GLCM,Decoy,0,-8.8473,-6.86,-3.08,-6.327743870801526
C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O,C08546529_decoy,GLCM,Decoy,0,-7.14923,-7.95,-1.39,-7.496512617393766
O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)Cc1c[nH]c2ccccc12,C08772271_decoy,GLCM,Decoy,0,-6.71457,-8.27,-3.66,-5.402979850667382
C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(S(N)(=O)=O)cc1,C09834116_decoy,GLCM,Decoy,0,-8.1827,-7.86,-2.19,-5.732735271337964
O=S1(=O)C=C[C@H](NC(=S)NCCNC(=S)N[C@H]2C=CS(=O)(=O)C2)C1,C12175541_decoy,GLCM,Decoy,0,-10.4727,-5.85,-1.49,-6.991078098443468
COc1ccc(N(CCC(N)=O)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1,C12545554_decoy,GLCM,Decoy,0,-7.28392,-6.15,-2.0,-6.388036492852356
Cc1oc([C@H](O)[C@@H](O)[C@@H](O)CO)cc1C(=O)OCc1ccc(C#N)cc1,C13148111_decoy,GLCM,Decoy,0,-8.50399,-7.71,-1.22,-12.354808592745128
CC(C)Nc1nnc(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)s1,C14142300_decoy,GLCM,Decoy,0,-7.25807,-6.48,-1.39,-5.1473922481849135
Cc1cc(Br)c(N2C(=O)NC(=O)[C@H](/C=N/C(CO)(CO)CO)C2=O)cc1C,C16267906_decoy,GLCM,Decoy,0,-9.81259,-8.96,-1.7,-15.838327374102414
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CC[NH2+]CCO)ccc1O,C15022654_decoy,GLCM,Decoy,0,-9.21737,-6.61,-2.39,-9.219543692431554
COC(=O)C1=C(N)N(CCn2c(N)c(C(=O)OC)sc2=S)C(=S)C1,C25436232_decoy,GLCM,Decoy,0,-10.403,-6.54,-2.75,-10.763106879056728
NC(=O)CN1C(=O)/C(=N/NC(=S)N[C@H]2CCS(=O)(=O)C2)c2ccccc21,C27025156_decoy,GLCM,Decoy,0,-6.30282,-6.99,-3.5,-6.461767834539587
C=CCn1c(-c2ccc(C)cc2)nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c1=S,C32594266_decoy,GLCM,Decoy,0,-6.23994,-5.15,-1.38,-4.722463924495657
C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCC[NH2+]CCO)c([O-])n1c23,C20188948_decoy,GLCM,Decoy,0,-7.28351,-6.34,-2.31,-8.507389385531882
C=C(C(=O)OC)[C@@H]1[C@H](O)[C@@H]2C(=O)CC[C@H](O)[C@]2(C)C[C@H]1OC(=O)C(=C)[C@H](O)CO,C35271311_decoy,GLCM,Decoy,0,-9.918,-7.4,-1.4,-6.837232893882721
C[C@H]1NNC(=O)C2=C1[C@@H](C)O[C@H]2NC(=O)CS[C@@H]1NN=C(C2CC2)N1C,C38770045_decoy,GLCM,Decoy,0,-7.58035,-8.4,-1.26,-9.641481435423216
NN1[C@@H](SCC(=O)N2CCOCC2)NN[C@H]1[C@H]1C=C(c2ccccc2)N=N1,C39021372_decoy,GLCM,Decoy,0,-8.21493,-8.74,-4.07,-7.131163234316488
C[C@H](CCC1=CC[C@H]2[C@H](C)C(=O)O[C@@H]2C[C@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C39560053_decoy,GLCM,Decoy,0,-7.59223,-9.4,-2.23,-8.233133197853823
NN1[C@@H](SCC(=O)N2CCOCC2)NN[C@@H]1[C@H]1C=C(c2ccc(F)cc2)N=N1,C39592739_decoy,GLCM,Decoy,0,-8.39614,-7.27,-2.73,-7.891852506273811
Cc1nccn1Cc1cccc(CNC(=O)Nc2cnn(CC(N)=O)c2)c1,C40151711_decoy,GLCM,Decoy,0,-7.69888,-8.03,-4.73,-6.2085424684554855
COC[C@H](O)CN(C)S(=O)(=O)c1cc(Br)cnc1NN,C42526600_decoy,GLCM,Decoy,0,-7.38341,-5.95,-1.31,-6.5330472178081065
CCCCN1C(=O)[C@H]2[C@@H](c3ccc(O)c(O)c3)[NH2+][C@@](CC(C)C)(C(=O)[O-])[C@@H]2C1=O,C43211235_decoy,GLCM,Decoy,0,-8.52283,-5.63,-3.11,-5.076659555630977
CCCCN1C(=O)[C@H]2[C@@H](c3cc(Br)ccc3O)[NH2+][C@@](CO)(C(=O)[O-])[C@@H]2C1=O,C33916520_decoy,GLCM,Decoy,0,-7.86528,-6.01,-3.35,-5.990032223313278
CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](CO)(C(=O)[O-])[NH2+][C@H]3c2ccc(O)c(OC)c2)cc1,C33925780_decoy,GLCM,Decoy,0,-9.24476,-10.17,-3.08,-7.260735726865087
CCc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(C)c(O)c(C)c4)[NH2+][C@@](CO)(C(=O)[O-])[C@@H]3C2=O)cc1,C33925836_decoy,GLCM,Decoy,0,-7.65393,-7.37,-3.73,-6.995987808159349
Nc1c(C(=O)CN2CCN(c3ccccc3O)CC2)c(=O)[nH]c(=O)n1C1CC1,C45631315_decoy,GLCM,Decoy,0,-7.40495,-7.62,-1.65,-6.720935909409874
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1,C46706772_decoy,GLCM,Decoy,0,-7.5777,-6.48,-3.4,-5.576056024122341
C[C@@H](NC(=O)C(=O)Nc1cccc2cccnc12)c1ccc(S(N)(=O)=O)cc1,C48757361_decoy,GLCM,Decoy,0,-8.22668,-8.56,-3.84,-6.213881813222571
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2CC(N)=O)C(=O)Nc2ccccc21,C20548443_decoy,GLCM,Decoy,0,-7.35086,-7.28,-2.22,-5.464298657438373
CCCCN1C(=O)[C@@H]2[C@H](CCC(N)=O)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O,C20548474_decoy,GLCM,Decoy,0,-8.51072,-8.24,-4.29,-10.165184006857958
CO[C@H]1O[C@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@H]1O,C40514747_decoy,GLCM,Decoy,0,-6.84719,-6.53,-3.56,-4.98497227709013
Cc1cc(OCC(N)=O)ccc1NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O,C55940411_decoy,GLCM,Decoy,0,-6.55179,-8.67,-2.02,-7.107381576533894
COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)cc(OC)c1O,C04278910_decoy,GLCM,Decoy,0,-6.93776,-7.95,-1.1,-5.703824393583401
COc1ccccc1NC(=S)NNC(=O)[C@H](C)NC(=O)c1ccoc1,C58867875_decoy,GLCM,Decoy,0,-5.41131,-6.08,-1.59,-4.6346338920261365
CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2ccccc2F)n1,C59879076_decoy,GLCM,Decoy,0,-7.14741,-6.52,-2.36,-6.691160372524542
CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)c2ccc(F)cc2)c1,C62131589_decoy,GLCM,Decoy,0,-6.12154,-8.82,-2.42,-6.496718742691542
COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2CCC(N)=O)C(=O)Nc2ccc(Cl)cc21,C20548984_decoy,GLCM,Decoy,0,-8.28502,-6.27,-2.45,-7.459479721295979
CCCCN1C(=O)N=C([O-])[C@H](N(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)[C@@H]1[NH3+],C64215268_decoy,GLCM,Decoy,0,-7.81453,-5.88,-3.33,-7.031126063293742
O=C(CNC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-])N[C@@H]1CCCc2ccccc21,C64683189_decoy,GLCM,Decoy,0,-7.62776,-8.84,-2.76,-7.859431120815383
COc1ccc([C@@H]2C[C@H](CNC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-])ON2)cc1,C64683664_decoy,GLCM,Decoy,0,-4.82381,-8.48,-3.54,-6.34305236898384
CC(C)CNC(=O)CNC(=O)N[C@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-],C64683705_decoy,GLCM,Decoy,0,-5.55806,-6.84,-3.07,-6.2135709790758655
CC(C)CNC(=O)NNC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21,C65182133_decoy,GLCM,Decoy,0,-6.00494,-6.76,-1.91,-5.994589798707959
CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@H]1O,C65748538_decoy,GLCM,Decoy,0,-4.65028,-6.52,-1.73,-3.953008034283073
CCCc1cc(=O)[nH]c(=S)n1[C@H]1O[C@@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@@H]1O,C65748539_decoy,GLCM,Decoy,0,-8.13072,-5.31,-2.95,-4.790410358893603
NC(=O)[C@H]1CC(C(=O)Nc2cnn(CCO)c2)=NN1c1ccc(F)cc1,C66381173_decoy,GLCM,Decoy,0,-7.00179,-6.24,-3.94,-5.306332475374687
NC(=O)CN1CCC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)C1,C66449570_decoy,GLCM,Decoy,0,-7.48399,-8.21,-2.39,-8.318327755724393
CC(=O)N[C@@H](CC(=O)NNC(=O)C(=O)NC(C)C)c1c(F)cccc1F,C66601957_decoy,GLCM,Decoy,0,-6.42061,-7.61,-1.88,-6.792176337876571
CC(=O)N[C@@H](CC(=O)NCC(=O)Nc1cn[nH]c1)c1c(F)cccc1F,C66643522_decoy,GLCM,Decoy,0,-6.44677,-6.95,-1.83,-5.687405205196435
NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(OCC2CC2)nc1,C67149124_decoy,GLCM,Decoy,0,-8.48089,-8.57,-1.97,-8.43367717775391
C[C@@H](NC(=O)Nc1ccc(OCC(N)=O)cc1)C(=O)N1CCSCC1,C67542524_decoy,GLCM,Decoy,0,-8.5387,-8.0,-2.38,-7.853540760469313
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)Nc1sccc1C(N)=O,C08882212_decoy,GLCM,Decoy,0,-8.2666,-8.55,-1.87,-8.957680505382537
CCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)n(CC(=O)NC(=O)NCC)c1=O,C09544311_decoy,GLCM,Decoy,0,-5.94201,-5.74,-2.29,-6.271525839798651
CCOC(=O)CC(=O)CSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1,C10243595_decoy,GLCM,Decoy,0,-8.59944,-7.45,-3.78,-8.00230000815681
COCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(NC(C)=O)cc1,C10063440_decoy,GLCM,Decoy,0,-8.65309,-7.66,-2.11,-9.47273980196636
CCCN(C[C@H](O)COc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C11349408_decoy,GLCM,Decoy,0,-7.41751,-5.72,-3.07,-4.958376609616579
CC(C)[C@H](OC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1)C(=O)NC(N)=O,C11684218_decoy,GLCM,Decoy,0,-7.559,-8.25,-4.35,-7.039969564069716
Cn1c(N)c(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O,C13129513_decoy,GLCM,Decoy,0,-5.42526,-6.99,-3.55,-6.231849119500061
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c1C,C15342567_decoy,GLCM,Decoy,0,-6.73088,-8.43,-2.84,-7.583634400193117
NC(=O)c1c(NC(=O)COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)sc2c1CCCC2,C16685680_decoy,GLCM,Decoy,0,-6.70168,-9.14,-1.59,-7.947472843160697
N#CCCN(CCC#N)c1ccc(/C=C(\NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NN)cc1,C01625504_decoy,GLCM,Decoy,0,-8.8953,-7.23,-4.53,-6.624199226423104
Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C\c1ccccc1)C(=O)NN,C17213884_decoy,GLCM,Decoy,0,-8.34053,-6.82,-3.16,-5.896780502450166
CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3ccc[nH]3)o2)C2CCCC2)c(=O)[nH]c1=O,C18367433_decoy,GLCM,Decoy,0,-7.42845,-7.65,-2.09,-7.446898470923356
COCCNC(=O)c1c(NC(=O)CSc2nnc(-c3ccoc3C)n2N)sc2c1CCCC2,C18525121_decoy,GLCM,Decoy,0,-9.31919,-7.33,-2.42,-6.888528543905138
COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(N(C)C)cc2)n1N,C20527590_decoy,GLCM,Decoy,0,-7.14047,-7.83,-4.08,-6.298640541449094
CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2N)cn1,C20827673_decoy,GLCM,Decoy,0,-7.80105,-8.63,-4.27,-7.773967542005126
COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2N)cc1,C20913403_decoy,GLCM,Decoy,0,-7.60256,-7.53,-4.68,-8.146030550611234
CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCCc3ccc(F)cc3)n2N)cn1,C20920710_decoy,GLCM,Decoy,0,-6.52642,-6.81,-2.56,-5.830184150100648
CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cn1,C20921048_decoy,GLCM,Decoy,0,-8.43555,-7.75,-4.31,-8.35822600908408
CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccc(Br)cc3)n2N)cn1,C20921239_decoy,GLCM,Decoy,0,-7.95203,-7.26,-3.75,-6.198777244599759
COc1ccc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)cc1,C20921267_decoy,GLCM,Decoy,0,-8.08994,-7.95,-3.23,-7.347692582611367
Cc1ccc(NC(=O)CCSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)c(C)c1,C20921317_decoy,GLCM,Decoy,0,-7.68542,-8.41,-2.2,-7.448328161898173
CC(C)CN(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C21259565_decoy,GLCM,Decoy,0,-7.86721,-8.11,-4.17,-7.891526865855059
CC(=O)N[C@@H](CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)c1ccc(Cl)cc1,C21302706_decoy,GLCM,Decoy,0,-8.68716,-6.61,-5.49,-7.846500930497791
COc1cc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)cc(OC)c1,C21324533_decoy,GLCM,Decoy,0,-6.84294,-8.36,-4.7,-6.387919020095436
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl,C21842915_decoy,GLCM,Decoy,0,-4.7122,-7.97,-4.1,-6.359316274246536
NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N,C22060364_decoy,GLCM,Decoy,0,-8.24781,-6.68,-2.6,-6.255866445899062
CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)Cc1c[nH]c2ccccc12,C23158815_decoy,GLCM,Decoy,0,-8.00209,-7.76,-2.88,-7.216588576926345
CC(C)CN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C24752298_decoy,GLCM,Decoy,0,-7.40161,-8.86,-4.57,-7.16134277634535
COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(SCC(N)=O)s1,C24960848_decoy,GLCM,Decoy,0,-10.6069,-4.69,-1.2,-5.782366326999404
CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccccc3SCC(N)=O)nc(N)c12,C29902978_decoy,GLCM,Decoy,0,-7.90356,-7.1,-2.15,-7.398493483557734
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,C35365931_decoy,GLCM,Decoy,0,-9.87414,-10.11,-4.48,-9.243483593321953
NC(=O)COc1cccc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1,C25518591_decoy,GLCM,Decoy,0,-9.4733,-8.71,-3.82,-8.387791604374478
O[C@H](c1ccco1)N(C(=S)N([C@@H](O)c1ccco1)[C@@H](O)c1ccco1)[C@H](O)c1ccco1,C28629599_decoy,GLCM,Decoy,0,-6.95622,-6.73,-1.86,-5.489656712875847
CCN1[C@@H](SCc2nc3ccccc3c(=O)[nH]2)NN[C@@H]1[C@@H](C)NC(=O)Cc1ccc(OC)cc1,C39969628_decoy,GLCM,Decoy,0,-7.69481,-8.72,-4.23,-7.764930198787852
COc1ccccc1[C@H]1[NH2+][C@](CC(=O)[O-])(C(=O)[O-])[C@@H]2C(=O)N(CC[NH2+]Cc3ccccc3)C(=O)[C@@H]12,C43218396_decoy,GLCM,Decoy,0,-5.54281,-5.84,-2.79,-5.442737779848893
C=CCNc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@]1(C)[C@@H]2CC(=O)NCCOC,C44681446_decoy,GLCM,Decoy,0,-10.1428,-6.02,-3.02,-8.217057016884231
COCCN(C(=O)CNc1cccc2c1CCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C58312675_decoy,GLCM,Decoy,0,-7.72823,-6.47,-3.29,-5.524551232909109
COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3SC)n[nH]2)c1O,C59016909_decoy,GLCM,Decoy,0,-8.08464,-7.73,-2.52,-6.947315442630383
N#Cc1c(CCCNc2ncc([N+](=O)[O-])c(NC3CC3)n2)nn(-c2ccc(F)cc2)c1N,C59333679_decoy,GLCM,Decoy,0,-5.83492,-6.65,-2.08,-5.372952334622854
COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc([N+](=O)[O-])c3)n2N)cc(OC)c1,C20291902_decoy,GLCM,Decoy,0,-7.18415,-8.54,-5.09,-8.606919731736145
C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)n2N)c1C,C59829846_decoy,GLCM,Decoy,0,-9.21888,-6.92,-4.2,-7.233334259922791
C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)c1C,C59829900_decoy,GLCM,Decoy,0,-7.79831,-8.15,-2.66,-6.9509178015650726
Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])n2N)cc1,C59884705_decoy,GLCM,Decoy,0,-5.16124,-7.0,-3.5,-5.008380975960772
Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccccc2Cl)n[nH]1,C59887679_decoy,GLCM,Decoy,0,-8.27631,-6.31,-3.87,-5.834018658277507
COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)cn1,C59914136_decoy,GLCM,Decoy,0,-7.82016,-8.55,-4.43,-7.203981240923428
C[NH+]1CCN(Cc2cccc(-c3nc(CC(=O)N[C@H](CCC(N)=O)C(=O)[O-])cs3)c2)CC1,C62048673_decoy,GLCM,Decoy,0,-9.39314,-7.58,-4.19,-7.449343474609003
COc1ccc2c(c1)=C(CC[N-]/C(=N\C(=O)CS[C@@H]1N=N[C@H](N)S1)Nc1nc(C)cc(C)n1)C[NH+]=2,C63493735_decoy,GLCM,Decoy,0,-9.49186,-6.9,-2.84,-7.490049946703988
CCOC(=O)C1=C(C)N[C@@H](N(Cc2ccccc2)C(=O)CSc2n[nH]c(N)n2)S1,C40017459_decoy,GLCM,Decoy,0,-8.91281,-8.12,-2.03,-11.521260162540164
CCN1[C@@H](SCC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])NN[C@H]1c1cccs1,C64683804_decoy,GLCM,Decoy,0,-5.23305,-8.82,-3.37,-6.252776593047751
COc1ccccc1N1CNN[C@@H]1SCC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)[O-],C64684535_decoy,GLCM,Decoy,0,-6.14229,-6.8,-4.13,-5.790617459677854
CNc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H]([NH3+])[C@H]3SC2)s1,C03151494_decoy,GLCM,Decoy,0,-8.23602,-5.56,-1.49,-7.815566786723199
COc1cccc(C(=O)NN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c1,C03200142_decoy,GLCM,Decoy,0,-7.12846,-5.99,-3.05,-5.937878236939085
C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)NC(N)=O,C05040375_decoy,GLCM,Decoy,0,-6.58012,-7.56,-3.19,-7.378965960583201
COC(=O)C[C@H]1SC2=C(C(N)=O)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O,C03764202_decoy,GLCM,Decoy,0,-7.40994,-6.2,-1.53,-4.605669064477923
NC(=O)CCN(CCC(N)=O)S(=O)(=O)c1ccc(Br)cc1,C02314956_decoy,GLCM,Decoy,0,-8.12517,-6.22,-4.15,-5.791455296876505
Nc1nc(N)nc(CSc2nnc(C3CC3)n2Cc2ccccc2)n1,C07112695_decoy,GLCM,Decoy,0,-8.33511,-8.09,-4.13,-10.014780085509706
CCC1=C(C)CN([C@H](O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O,C08156596_decoy,GLCM,Decoy,0,-6.90234,-7.64,-2.92,-5.55990206860847
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC(c2ccccn2)=NN1,C00032001_decoy,GLCM,Decoy,0,-6.01513,-7.65,-2.9,-5.526560444595677
CC(C)CNC(=O)NC(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O,C10911446_decoy,GLCM,Decoy,0,-6.71169,-6.48,-0.91,-7.920230696398226
COCCn1c(N)c(-c2csc(NC3CCCC3)n2)c(=O)[nH]c1=O,C11178984_decoy,GLCM,Decoy,0,-8.68876,-7.01,-3.04,-7.768836893216287
O=C(NC1CC1)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(-n4cccn4)cc3)[C@@H]21,C08636526_decoy,GLCM,Decoy,0,-6.93792,-6.01,-1.13,-5.251148830676701
CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O,C16553864_decoy,GLCM,Decoy,0,-7.84301,-6.76,-3.75,-7.495437982933423
N#CC1=C(S)N([C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(c2ccccc2)=C[C@@H]1c1ccco1,C16958777_decoy,GLCM,Decoy,0,-5.73143,-6.06,-2.11,-3.724785224234541
Nc1cc(N)nc(SCCN2C(=O)c3ccccc3S2(=O)=O)n1,C18541049_decoy,GLCM,Decoy,0,-6.52584,-6.14,-2.19,-4.627347355131146
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(OCC(N)=O)c2)[C@H]2COCC=C12,C02193845_decoy,GLCM,Decoy,0,-7.04225,-6.29,-2.69,-4.438040397868929
Cc1ccccc1CN(C)C(=O)[C@H](C)SCc1nc(N)nc(N)n1,C29351934_decoy,GLCM,Decoy,0,-6.5551,-6.95,-2.43,-6.654324227001265
Cc1cc([C@H]2[NH2+][C@@](C(=O)[O-])([C@@H](C)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)cc(C)c1O,C34388737_decoy,GLCM,Decoy,0,-7.63371,-9.37,-3.35,-9.099554957644244
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sccc1C(N)=O)C2=O,C08192103_decoy,GLCM,Decoy,0,-8.37918,-7.1,-0.95,-6.994165099034393
NC(=O)N[C@H](CC(=O)NCCc1ccccn1)c1ccccc1Cl,C03533741_decoy,GLCM,Decoy,0,-7.43618,-7.23,-2.88,-6.333185842385737
CC(C)n1c(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)nc2ccccc21,C39915812_decoy,GLCM,Decoy,0,-8.58409,-7.98,-1.53,-11.165222245765548
NNc1ncc(Br)cc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1,C41069847_decoy,GLCM,Decoy,0,-8.09674,-7.1,-1.96,-7.445483371043029
CC(=O)Nc1cc(NC(=O)C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)ccc1F,C41740053_decoy,GLCM,Decoy,0,-6.95364,-9.1,-1.81,-6.171550428605856
CCOC[C@H](C)NS(=O)(=O)c1cc(Br)cnc1NN,C44680644_decoy,GLCM,Decoy,0,-7.34724,-5.02,-2.14,-4.96406487491504
CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(C(F)(F)F)n1N,C14565248_decoy,GLCM,Decoy,0,-8.00248,-7.49,-2.95,-8.715087704074534
C[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)c1cccc(S(N)(=O)=O)c1,C49303143_decoy,GLCM,Decoy,0,-7.29479,-6.43,-5.7,-6.212383405135425
C[C@H](NC(=O)C(=O)Nc1cccc2cccnc12)c1cccc(S(N)(=O)=O)c1,C49304143_decoy,GLCM,Decoy,0,-7.97916,-9.58,-1.49,-7.741099355795134
Cc1cc(C(=O)[C@@H](C#N)c2nc(N)nc(N)n2)c(C)n1-c1ccc(F)cc1,C49436912_decoy,GLCM,Decoy,0,-7.47884,-7.49,-2.43,-6.834209044155525
CNC(=O)c1cc(NC(=O)N[C@H](C)C(=O)NCc2ccco2)ccc1F,C50084610_decoy,GLCM,Decoy,0,-5.78547,-8.5,-3.6,-7.963576195847641
CCNc1ncc(Br)cc1S(=O)(=O)N[C@@H](C)C(N)=O,C50656896_decoy,GLCM,Decoy,0,-7.12257,-5.53,-2.09,-5.050387027827433
NS(=O)(=O)CCNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O,C53773884_decoy,GLCM,Decoy,0,-9.20913,-6.16,-1.62,-5.903974338287503
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=S)Nc1ccc(F)cc1,C58170897_decoy,GLCM,Decoy,0,-6.76596,-5.76,-1.39,-4.71795544555526
CC(=O)NCC(=O)NCC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2,C58837027_decoy,GLCM,Decoy,0,-7.80348,-6.48,-2.42,-8.575970812294385
CC(=O)N[C@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1cccs1,C47167473_decoy,GLCM,Decoy,0,-7.69417,-8.35,-1.22,-7.409750579999518
COc1cc(C(=O)N[C@@H](C(=O)NN)C(F)(F)F)cc(OC)c1OC,C59186747_decoy,GLCM,Decoy,0,-6.37333,-6.96,-1.43,-7.392698304978234
Nc1cc(CCCNC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1,C42870727_decoy,GLCM,Decoy,0,-8.21395,-8.43,-1.73,-10.854815146508567
NC(=O)CN(CC(N)=O)CC(=O)c1ccc(I)cc1,C61808050_decoy,GLCM,Decoy,0,-7.6342,-6.44,-3.51,-9.56054024603292
NC(=O)CN(CC(N)=O)C(=O)c1cccc(I)c1,C61809074_decoy,GLCM,Decoy,0,-7.35092,-6.74,-1.35,-11.2464012772597
NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12,C16012584_decoy,GLCM,Decoy,0,-8.74009,-8.7,-2.26,-6.342110303794043
NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cccn3)cc2)cc1,C41852497_decoy,GLCM,Decoy,0,-7.46643,-6.11,-2.15,-6.378565102694366
C[C@@H](COCC(F)(F)F)NC(=O)NCc1cccc(S(N)(=O)=O)c1,C62659032_decoy,GLCM,Decoy,0,-8.61116,-7.76,-1.66,-6.332254355276334
CC(C)N(C(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O)C(C)C,C63456351_decoy,GLCM,Decoy,0,-6.99366,-6.78,-2.45,-4.994335101951908
O=C(/C=C1/CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)NCc1ccccn1,C39590218_decoy,GLCM,Decoy,0,-7.37203,-8.91,-3.88,-7.310771516206123
CC(C)[C@@H](C)NC(=O)CNC(=O)c1c(Br)nn(C)c1N,C65474284_decoy,GLCM,Decoy,0,-7.73873,-6.86,-1.75,-7.581984977279799
Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccccc1F,C65614193_decoy,GLCM,Decoy,0,-6.71681,-6.12,-2.08,-5.915813654065267
COc1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)c(C)c1,C66217805_decoy,GLCM,Decoy,0,-7.69114,-9.0,-0.8,-15.704842012656016
Cc1cc(C)c(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c(=O)[nH]1,C66239937_decoy,GLCM,Decoy,0,-6.0585,-7.68,-2.51,-6.259353009720833
CC(=O)Nc1cc(NC(=O)NCCNC(=O)c2ccco2)c(F)cc1F,C66980743_decoy,GLCM,Decoy,0,-5.92488,-6.22,-2.19,-5.199116362806889
CCNC(=O)NC1(C(=O)NCc2n[nH]c(=S)n2C(C)C)CCCC1,C67072196_decoy,GLCM,Decoy,0,-7.1803,-5.57,-1.01,-4.743942045755325
CC(=O)N[C@H](CC(=O)NC1CCC(C(N)=O)CC1)c1c(F)cccc1F,C67193409_decoy,GLCM,Decoy,0,-6.7581,-7.32,-1.46,-7.107042910688707
CSCC[C@H](NC(N)=O)C(=O)NCc1ccccc1-n1cccn1,C67360009_decoy,GLCM,Decoy,0,-6.64997,-6.76,-1.73,-5.453367814246326
CN(C)C(=[NH2+])NC(N)=S,C01616990_decoy,GLCM,Decoy,0,-7.58687,-4.46,-1.39,-6.993761378224951
NS(=O)(=O)Cc1ccc(C[NH3+])cc1,C08037140_decoy,GLCM,Decoy,0,-8.32131,-3.88,-1.39,-3.149315612750184
C[C@@H](O)[C@H](CO)[NH+]1Cc2ccc(N)cc2C1,C11731071_decoy,GLCM,Decoy,0,-6.48066,-6.91,0.05,-9.700629586921131
C[C@@H](O)[C@@H](CO)[NH+]1Cc2ccc(N)cc2C1,C11731069_decoy,GLCM,Decoy,0,-6.43057,-7.65,-0.55,-10.707372195127652
CC(C)[C@@H]([NH3+])C(=O)NN,C17289586_decoy,GLCM,Decoy,0,-5.46652,-5.64,-0.98,-7.908734093397613
CC(C)[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1,C19842690_decoy,GLCM,Decoy,0,-5.41424,-7.62,-2.27,-6.222038481542502
Nc1nc(C[NH3+])n[nH]1,C19858028_decoy,GLCM,Decoy,0,-5.68803,-4.69,-0.05,-4.617282588204596
Nc1cncc(C[NH3+])c1,C21984993_decoy,GLCM,Decoy,0,-5.11551,-4.92,-0.61,-2.9154641174295035
CC(C)(C)c1ccc([C@H](N)C[NH3+])cc1,C35677058_decoy,GLCM,Decoy,0,-6.84418,-5.25,-0.86,-4.932585669101594
CC(C)(C)c1ccc([C@@H](N)C[NH3+])cc1,C35677059_decoy,GLCM,Decoy,0,-6.54634,-4.97,-0.44,-4.695018143137753
NC(=O)C(=O)NCC[NH3+],C37242855_decoy,GLCM,Decoy,0,-5.80648,-4.43,-0.5,-3.69020865778892
CC[C@H]([NH3+])c1ccc(N)cc1,C39048522_decoy,GLCM,Decoy,0,-4.94845,-5.44,-1.67,-5.792997833904253
NC(=O)C[C@@H]([NH3+])[C@@H]1C=CC=N1,C39090992_decoy,GLCM,Decoy,0,-6.37667,-5.28,-1.14,-6.918933109305881
[NH3+]Cc1[nH]c(=O)[nH]c(=O)c1Br,C39098209_decoy,GLCM,Decoy,0,-6.55174,-6.63,-0.52,-7.63999967219034
NC1=C2NCCN=C2NC=[NH+]1,C24620052_decoy,GLCM,Decoy,0,-7.79116,-4.72,-1.29,-2.713830312256172
CSC1([C@@H]([NH3+])C(N)=O)CC1,C39135662_decoy,GLCM,Decoy,0,-8.22526,-5.34,0.15,-8.259675657926305
C[NH+]1CCN(c2ncnc(N)c2N)CC1,C40723717_decoy,GLCM,Decoy,0,-6.01286,-6.2,-1.03,-5.26915459847142
CC(C)[C@@H]([NH3+])c1n[nH]c(N)n1,C41050691_decoy,GLCM,Decoy,0,-6.33314,-4.2,-0.9,-3.051669614236672
[NH3+]C1(c2n[nH]c(=O)[nH]2)CCCC1,C42040134_decoy,GLCM,Decoy,0,-6.52396,-5.38,-0.09,-4.323889680101503
C[C@@H](N[C@H]1CC[NH+](C)C1)C(=O)NC(N)=O,C42547037_decoy,GLCM,Decoy,0,-8.03008,-6.47,-1.14,-5.463732650692206
C/C(Sc1nncs1)=C(/N)[NH3+],C43516435_decoy,GLCM,Decoy,0,-8.96757,-4.7,-1.94,-4.705514951509795
CC/C(Sc1ncn[nH]1)=C(/N)[NH3+],C43542699_decoy,GLCM,Decoy,0,-7.91113,-6.1,-1.01,-7.632585494823278
NC1=[NH+][C@H]([O-])[NH+]=CN1,C44075675_decoy,GLCM,Decoy,0,-6.87753,-4.11,0.21,-2.537550684647854
Nc1nc(N)c(C[NH3+])nc1Cl,C44250083_decoy,GLCM,Decoy,0,-6.81022,-6.16,-0.93,-5.675543957755917
C[C@H](C(=O)[O-])[C@H]([NH3+])C[NH3+],C44468826_decoy,GLCM,Decoy,0,-5.62085,-5.05,0.18,-7.315538845455328
[NH3+]C[C@@H]([NH3+])[C@H]1C[C@H]1C(=O)[O-],C44468857_decoy,GLCM,Decoy,0,-6.79405,-5.13,0.75,-9.630452453444573
CCc1ccc([C@H](N)C[NH3+])o1,C44469497_decoy,GLCM,Decoy,0,-5.80879,-5.76,-0.53,-9.0358348667701
Cc1cc([C@@H](N)C[NH3+])ccc1Cl,C44470784_decoy,GLCM,Decoy,0,-6.1347,-4.55,-0.97,-4.2624454951661495
COc1c([C@H](N)C[NH3+])c(C)nn1C,C44471251_decoy,GLCM,Decoy,0,-6.10401,-5.82,-0.88,-8.010809388746347
Cc1ccc([C@@H](N)C[NH3+])cc1C(F)(F)F,C44473212_decoy,GLCM,Decoy,0,-5.04795,-5.55,-1.29,-4.324423829228248
Cc1c(F)ccc2cc([C@H](N)C[NH3+])[nH]c12,C44476921_decoy,GLCM,Decoy,0,-6.17052,-6.06,-0.13,-6.9339022702647926
CC[C@H](C[NH3+])C(N)=O,C44796464_decoy,GLCM,Decoy,0,-6.57105,-5.05,-1.43,-7.243205187723393
C[C@@](N)(C[NH+]1CCCC1)C(N)=O,C45225781_decoy,GLCM,Decoy,0,-5.51399,-5.94,-0.78,-7.125500968841009
CN[n+]1c(NN)[nH]c2ccccc21,C45238552_decoy,GLCM,Decoy,0,-5.5898,-5.48,-2.3,-5.923354406306463
NC(=O)[C@@H](N)C[NH+]1CCCCC1,C45378144_decoy,GLCM,Decoy,0,-6.33609,-6.26,-1.88,-7.5201438439422335
Cc1[nH+]c(N)[nH]c1N,C39132596_decoy,GLCM,Decoy,0,-4.5733,-4.63,-0.77,-1.8418922697589104
C[C@H]([NH3+])Cc1c[nH]c(=S)[nH]1,C45820919_decoy,GLCM,Decoy,0,-6.66399,-4.5,-0.53,-5.112142229306327
NC(=O)C[NH+]1CCCC[C@@H]1C(N)=O,C48582769_decoy,GLCM,Decoy,0,-6.18282,-6.96,-3.38,-7.744815898999092
CCc1nc([C@H]([NH3+])[C@@H](C)O)n[nH]1,C48630886_decoy,GLCM,Decoy,0,-6.78034,-5.95,-0.78,-7.451379275885163
Cc1cc(/C(N)=[NH+]/N)c(C)s1,C49685663_decoy,GLCM,Decoy,0,-7.92252,-4.12,-0.3,-4.171864166737529
C[C@@H]([NH3+])C(=O)NNC(=O)C(C)(C)C,C49806183_decoy,GLCM,Decoy,0,-6.03487,-3.93,-0.94,-4.433899911018349
CCc1[nH+]cn(N)c1N,C52838002_decoy,GLCM,Decoy,0,-5.02745,-5.72,-0.88,-5.510071837832297
N/N=C1\[NH+]=N[C@H](S)N1N,C33634178_decoy,GLCM,Decoy,0,-6.4455,-5.57,-0.21,-4.525423203792983
CN(CC(N)=O)C(=O)[C@@H]1CCCC[C@@H]1[NH3+],C55087207_decoy,GLCM,Decoy,0,-6.71449,-5.0,-2.18,-4.704455888895126
CN(CC(N)=O)C(=O)[C@H]1CCCC[C@H]1[NH3+],C55087213_decoy,GLCM,Decoy,0,-6.38333,-5.59,-3.75,-4.449016792246178
N[C@@]1(C[NH3+])CCCSC1,C61590030_decoy,GLCM,Decoy,0,-7.2459,-5.07,-0.29,-7.779605008901957
N/[NH+]=C(/N)c1ccc(Br)cn1,C61871376_decoy,GLCM,Decoy,0,-7.63099,-4.62,-0.2,-3.908912641861607
CN(CC(N)=O)C(=O)[C@@H]1C[NH2+]CCN1,C62812770_decoy,GLCM,Decoy,0,-5.31162,-4.81,-1.07,-3.6965193455327823
CC(C)(NC(=O)[C@]1(C)CCC[NH2+]C1)C(N)=O,C62858953_decoy,GLCM,Decoy,0,-6.4748,-6.36,-0.74,-10.343367296575988
N[C@H]1[C@@H]([NH3+])[C@H]2C=C[C@@H]1C2,C64873934_decoy,GLCM,Decoy,0,-6.46645,-4.7,-0.07,-2.7957415978232616
CC[C@]1(C)Cc2c(sc3c2C(NN)=[NH+][C@H](SC)N3)CO1,C04811980_decoy,GLCM,Decoy,0,-8.4901,-7.22,-0.39,-8.004700436237234
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(N)cc1[C@@H]([NH3+])CC2,C01595456_decoy,GLCM,Decoy,0,-7.13989,-5.62,-1.24,-5.602412010640861
N/C(=N\O)c1ccc(C[NH+]2CCC(O)CC2)c(F)c1,C19439718_decoy,GLCM,Decoy,0,-7.50044,-7.96,-1.13,-5.686367121242365
[NH3+][C@@H](Cc1ccc(Br)cc1)c1ccc2[nH]c(=O)[nH]c2c1,C19842737_decoy,GLCM,Decoy,0,-8.77455,-7.53,-2.05,-5.513329771610793
[NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1Cc2ccccc2O1,C19842874_decoy,GLCM,Decoy,0,-6.90566,-6.73,-1.77,-4.9815567147424495
[NH3+][C@@H](c1ccncc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C19972283_decoy,GLCM,Decoy,0,-6.74166,-7.14,-2.18,-4.059973608081207
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C[NH3+],C21302860_decoy,GLCM,Decoy,0,-8.4689,-6.91,-0.74,-6.068903515848662
Cc1cc([C@@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(C)o1,C35379741_decoy,GLCM,Decoy,0,-7.08217,-8.74,-1.32,-5.451180097771448
[NH3+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(Br)o1,C35379742_decoy,GLCM,Decoy,0,-7.77269,-8.84,-0.65,-5.088618212318727
Cc1ccc([C@H]([NH3+])c2ccc3c(c2)NC(=O)CC(=O)N3)o1,C35381073_decoy,GLCM,Decoy,0,-6.57414,-9.55,-0.35,-7.7272846662604175
Cc1ccoc1[C@@H]([NH3+])c1ccc2c(c1)NC(=O)CC(=O)N2,C35381098_decoy,GLCM,Decoy,0,-7.93231,-7.46,-0.2,-6.613055275454146
[NH3+][C@H]1C[C@@H]1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2,C36264570_decoy,GLCM,Decoy,0,-6.90144,-7.71,-0.63,-7.043123343491483
NC(=O)c1cccnc1N(CCC[NH3+])c1ccc(F)cc1,C36730705_decoy,GLCM,Decoy,0,-6.11953,-6.54,-3.63,-7.127361721030119
Cc1n[nH]c(C)c1S(=O)(=O)NC1CCC([NH3+])CC1,C36880759_decoy,GLCM,Decoy,0,-8.79776,-7.88,-0.59,-17.961701156109168
Nc1ccc(NC(=O)C[NH+]2CCNC(=O)C2)c(Br)c1,C37272295_decoy,GLCM,Decoy,0,-7.21137,-7.14,-1.33,-7.076313904411078
[NH3+]CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F,C37630250_decoy,GLCM,Decoy,0,-6.37124,-7.01,-3.08,-9.764015539372608
CN(Cc1ccccc1Br)C(=O)[C@H]([NH3+])CC(N)=O,C37798103_decoy,GLCM,Decoy,0,-7.32162,-6.96,-1.99,-9.838235120165608
Cc1[nH]c(=O)sc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH3+],C38050247_decoy,GLCM,Decoy,0,-8.07887,-5.16,-0.38,-4.420873982766045
Cc1ccc2sc([C@@H]([NH3+])Cc3ccc(O)c(O)c3)nc2c1,C40225920_decoy,GLCM,Decoy,0,-10.005,-8.87,-3.95,-6.269395398305733
C[NH+]1CCC(NC(=O)NC2CCCCC2)(C(N)=S)CC1,C40366372_decoy,GLCM,Decoy,0,-7.46913,-7.46,-1.71,-5.895374539710612
CC(C)([NH2+][C@@H]1C(=O)Nc2cc(Br)ccc21)C(N)=O,C40674292_decoy,GLCM,Decoy,0,-7.0586,-7.19,-0.15,-7.894925989681714
CC(=O)N1CCC[NH+](Cc2ccc(C(N)=O)cc2N)CC1,C42614128_decoy,GLCM,Decoy,0,-7.03533,-7.39,-1.42,-7.056805999527572
C[C@H]([NH3+])[C@@H](N1CCC(CC(N)=O)CC1)C(F)(F)F,C43378830_decoy,GLCM,Decoy,0,-6.69086,-6.81,-0.54,-7.457914780268606
C[C@H]([NH3+])[C@@H](N(CC(N)=O)C1CCCC1)C(F)(F)F,C43378858_decoy,GLCM,Decoy,0,-5.44303,-4.29,-1.4,-4.416360326837178
Nc1ncnc2c1ncn2Cc1ccc(C[NH3+])cc1F,C43461153_decoy,GLCM,Decoy,0,-7.90632,-6.48,-1.42,-6.2080133818362135
N[C@@H](C[NH3+])c1c(-c2ccccc2F)nc2sccn12,C44470748_decoy,GLCM,Decoy,0,-6.53008,-6.1,-1.31,-5.923843089500062
COc1cc([C@@H](N)C[NH3+])cc(I)c1OC,C44472135_decoy,GLCM,Decoy,0,-6.84832,-4.71,-1.22,-4.608999635434949
NS(=O)(=O)c1ccc(N2CCC(C[NH3+])CC2)cc1,C44514730_decoy,GLCM,Decoy,0,-7.54118,-4.6,-0.72,-3.952325699631956
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1(C[NH3+])CCCC1,C44764016_decoy,GLCM,Decoy,0,-6.73105,-5.39,-1.08,-6.4387568709682
[NH3+]CC#Cc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1,C50392991_decoy,GLCM,Decoy,0,-7.45776,-7.86,-2.49,-6.581917113408209
Cc1ccc(N2C(=O)/C(=C/N[C@@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1,C20290962_decoy,GLCM,Decoy,0,-7.5191,-6.91,-0.33,-6.769505793967652
NNc1ncc(C(=O)N[C@H]2C[NH+]3CCC2CC3)cc1Cl,C51096586_decoy,GLCM,Decoy,0,-8.22607,-5.34,-1.5,-4.447383369808437
C[NH+]1CC[C@@H](NC(=O)c2cnc(NN)c(Cl)c2)C1,C51117651_decoy,GLCM,Decoy,0,-7.50205,-4.93,-1.07,-4.123010719675349
[NH3+][C@H](c1cc2[nH]c(=O)[nH]c2cc1Br)[C@@H]1CCCCO1,C52094248_decoy,GLCM,Decoy,0,-8.32131,-7.86,-2.84,-5.5183943566302505
[NH3+][C@H](c1cc2[nH]c(=O)[nH]c2cc1Br)[C@@H]1CCOC1,C52094252_decoy,GLCM,Decoy,0,-8.07391,-7.75,-1.23,-5.117426316935849
NC(=O)C1CCC(NC(=O)C[C@H]2CCC[NH2+]C2)CC1,C54306412_decoy,GLCM,Decoy,0,-7.94651,-6.96,-1.25,-7.239359496354845
NC(=O)NC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1,C54308155_decoy,GLCM,Decoy,0,-8.27568,-7.76,-1.15,-6.10945584345944
Cc1[nH]cc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)[nH+]1,C54822229_decoy,GLCM,Decoy,0,-6.31339,-7.69,-2.68,-6.676038418108627
NC(=O)[C@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1,C55091557_decoy,GLCM,Decoy,0,-6.39978,-6.95,-1.88,-6.79979480161405
Nc1ccc([C@@H](O)CC[NH+]2CCCC[C@@H]2CCO)cc1,C57662554_decoy,GLCM,Decoy,0,-7.29074,-7.26,-1.2,-5.726881443668226
C[C@@](N)(CCCN1CCC([NH+]2CCCCC2)CC1)C(N)=O,C45420191_decoy,GLCM,Decoy,0,-8.59478,-7.23,-1.14,-12.346466869139205
NC(=O)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1,C55088764_decoy,GLCM,Decoy,0,-8.92566,-6.47,-0.78,-7.690528708011694
CCn1c(Sc2cc(C)ccc2C(N)=[NH2+])n[nH]c1=O,C61595626_decoy,GLCM,Decoy,0,-7.23595,-6.15,-1.35,-4.617148694291237
NC(=O)CC1CC[NH+](Cc2cccnc2C(N)=S)CC1,C61659926_decoy,GLCM,Decoy,0,-8.95741,-7.56,-1.49,-6.4809002902047474
COc1ccc2cc([C@H]([NH3+])C[C@H](C)CC(N)=O)ccc2c1,C61830677_decoy,GLCM,Decoy,0,-7.07629,-5.81,-1.82,-6.2382546685006846
Nc1ccc(F)cc1NC(=O)C[NH+]1CCNC(=O)CC1,C62099646_decoy,GLCM,Decoy,0,-6.42464,-7.23,-3.06,-6.385045509695737
Nc1ccc(NC(=O)C[NH+]2CCNC(=O)CC2)c(Cl)c1,C62099663_decoy,GLCM,Decoy,0,-7.17892,-7.96,-1.26,-10.07129277139344
C[C@@H]1CN[C@H](C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)C[NH2+]1,C62815093_decoy,GLCM,Decoy,0,-6.76402,-6.68,-1.5,-9.597500391296183
NS(=O)(=O)c1ccc(C[C@@H]([NH3+])c2ccccc2)nc1,C63024608_decoy,GLCM,Decoy,0,-7.58981,-7.02,-1.25,-5.169415967125564
C[C@@H]([NH3+])[C@H]1CCCCN1c1ccc(S(N)(=O)=O)cn1,C63196897_decoy,GLCM,Decoy,0,-7.51956,-7.52,-1.75,-7.443179855853554
Cc1cc(=O)oc2c(C[NH+](CCO)CCO)c(O)c(O)cc12,C00186268_decoy,GLCM,Decoy,0,-7.3318,-7.63,-1.16,-8.300334137897531
CC(C)[C@@H]1Oc2ccc([C@H]([NH3+])C(C)C)cc2N(CC(N)=O)C1=O,C33502616_decoy,GLCM,Decoy,0,-8.75726,-8.14,-0.39,-7.086093842746192
CC(C)[C@H]1Oc2ccc([C@H]([NH3+])C(C)C)cc2N(CC(N)=O)C1=O,C33502621_decoy,GLCM,Decoy,0,-7.50307,-7.55,-0.37,-8.891168414668057
C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc(S(N)(=O)=O)c1,C35224307_decoy,GLCM,Decoy,0,-8.25182,-7.28,-1.42,-7.64717069839141
C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1C#CC[NH3+])C(N)=O,C37581769_decoy,GLCM,Decoy,0,-7.60335,-6.66,-2.23,-7.832498046523146
N#Cc1ccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c(Br)c1,C37629277_decoy,GLCM,Decoy,0,-8.14317,-7.5,-0.78,-6.231962572162286
COc1cc(Br)c([C@@H]([NH3+])CCC(N)=O)cc1OC,C37636556_decoy,GLCM,Decoy,0,-8.58086,-6.82,-1.44,-11.43604042221145
NC(=O)CC[C@@H]([NH3+])c1cc2c(cc1Br)OCCO2,C37636763_decoy,GLCM,Decoy,0,-8.54135,-7.55,-3.41,-5.86608132215738
NC(=O)CCC[C@@H]([NH3+])c1cc2c(cc1Br)OCCCO2,C37636813_decoy,GLCM,Decoy,0,-7.76973,-6.86,-1.49,-7.183219790926636
COc1cc(Br)c([C@@H]([NH3+])CC(N)=O)cc1OC,C37754951_decoy,GLCM,Decoy,0,-7.91221,-6.07,-2.06,-9.660260982729657
CCCCN1C(=O)NC(=O)/C(=C\N[C@H]2CCCC[C@H]2[NH3+])C1=O,C20440513_decoy,GLCM,Decoy,0,-7.64835,-7.31,-1.49,-12.403484247986428
COc1ccc2[nH]cc(CC[NH2+][C@H]3NN[C@@H](C)C(=O)N3N)c2c1,C39331038_decoy,GLCM,Decoy,0,-7.12802,-7.06,-1.34,-9.185803597910429
CSCC[C@H]([NH3+])C(=O)Nc1cc(C(N)=O)c(F)cc1F,C40462375_decoy,GLCM,Decoy,0,-9.08296,-6.38,-0.75,-10.69856832093732
CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1,C40462647_decoy,GLCM,Decoy,0,-11.0383,-6.69,-4.29,-9.007191815358926
Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N/NC(N)=[NH2+])CCC2,C40824736_decoy,GLCM,Decoy,0,-8.8032,-7.34,-1.24,-8.816997314437154
NC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(OC(F)(F)F)cc1,C40834063_decoy,GLCM,Decoy,0,-7.92174,-6.8,-1.09,-9.088889190512235
COc1ccc([C@H]([NH3+])COCC(N)=O)cc1Br,C41072060_decoy,GLCM,Decoy,0,-7.8355,-6.99,-1.16,-6.156305513159673
NC(=O)CC1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1,C42438373_decoy,GLCM,Decoy,0,-8.71222,-8.03,-2.4,-6.082287551403788
C[NH+]1CCC(NC(=O)NNC(=O)c2cc(Br)c[nH]2)CC1,C43180628_decoy,GLCM,Decoy,0,-7.34187,-7.4,-3.19,-7.012535432384305
[NH3+][C@@H](Cc1ccc(O)c(O)c1)c1nc2ncc(Br)cc2[nH]1,C43460963_decoy,GLCM,Decoy,0,-9.52186,-6.76,-1.68,-5.221766841598281
C[C@H](C(=O)NC(=O)NC[C@H]1CCCO1)[NH+]1CCC(C(N)=O)CC1,C43563359_decoy,GLCM,Decoy,0,-7.78297,-6.42,-1.82,-6.679732897350753
COc1cc([C@H]([NH3+])CC(N)=O)c(Br)c(Br)c1O,C44250941_decoy,GLCM,Decoy,0,-7.13707,-5.84,-2.6,-6.86929994878234
COc1cc([C@@H]([NH3+])CC(N)=O)cc(Br)c1OC,C44252598_decoy,GLCM,Decoy,0,-7.90861,-4.89,-1.51,-5.722696581126578
NC(=O)C[C@H]([NH3+])c1cc(Br)ccc1OC(=O)c1c(F)cccc1F,C44253707_decoy,GLCM,Decoy,0,-9.08439,-7.67,-2.09,-6.453940138653904
NC(=O)C[C@H]([NH3+])c1ccc(Oc2cccc(C(F)(F)F)c2)nc1,C44254505_decoy,GLCM,Decoy,0,-7.09164,-7.19,-1.64,-7.596516641500803
COC(=O)c1ccc([C@H]([NH3+])CC(N)=O)n1-c1ccc(F)cc1,C44254987_decoy,GLCM,Decoy,0,-7.31979,-4.56,-0.53,-5.494508313316976
NC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCOc3ccccc32)CC1,C44910177_decoy,GLCM,Decoy,0,-8.34052,-7.38,-3.0,-7.07837694497514
CCCn1c(N)c(C(=O)C[NH+]2CCC(C(N)=O)CC2)c(=O)[nH]c1=O,C45311369_decoy,GLCM,Decoy,0,-7.45429,-6.79,-2.63,-8.048340318121408
C[NH+]1CC[C@@H](NC(=O)c2cc(Cl)c(NN)c([N+](=O)[O-])c2)C1,C51117723_decoy,GLCM,Decoy,0,-7.39325,-6.51,-0.47,-6.106421138698894
C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Br)cnc1NN,C51120728_decoy,GLCM,Decoy,0,-7.33311,-5.98,-1.94,-6.518075297251334
Cc1sc2nc(C[NH+]3CCNC(=O)C3)nc(NN)c2c1C,C51146857_decoy,GLCM,Decoy,0,-8.2807,-7.94,-1.72,-10.06341914905314
C[C@H]([NH3+])c1cc(Br)ccc1OCC(=O)NC(N)=O,C52066316_decoy,GLCM,Decoy,0,-6.35695,-6.36,-1.31,-7.8364659384511475
COC(=O)CC[C@@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Br,C52094735_decoy,GLCM,Decoy,0,-7.03653,-6.05,-1.7,-6.452037306195132
COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1,C52792010_decoy,GLCM,Decoy,0,-9.32594,-7.26,-1.54,-8.783017761932054
C[C@H](C[NH3+])C(=O)N(CC(N)=O)Cc1ccc(Br)cc1,C54341909_decoy,GLCM,Decoy,0,-7.36412,-6.32,-2.57,-8.93642483185044
C[C@H](C(=O)NC(N)=O)[NH+]1CCC(NC(=O)NC2CCCCC2)CC1,C55028016_decoy,GLCM,Decoy,0,-7.84691,-7.69,-3.98,-5.584353729926863
C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(CC(N)=O)CC(N)=O,C61805390_decoy,GLCM,Decoy,0,-6.77698,-6.67,-1.61,-9.649059267243617
C[C@H](CC(N)=O)C[C@H]([NH3+])c1cc2c(cc1Br)OCCCO2,C61830319_decoy,GLCM,Decoy,0,-8.21321,-6.9,-3.54,-8.778223647673759
C[C@H](C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCNC(=O)CC1,C62099698_decoy,GLCM,Decoy,0,-7.7938,-6.14,-0.99,-5.996694321035067
C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1,C62892097_decoy,GLCM,Decoy,0,-8.25611,-5.99,-1.12,-8.781678104977317
[NH3+][C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2,C63175587_decoy,GLCM,Decoy,0,-7.86918,-7.9,-1.61,-7.487241776220542
COc1ccccc1[C@@H]1N[C@@H](C(=O)NN)CC2=c3ccccc3=[NH+][C@H]21,C63349890_decoy,GLCM,Decoy,0,-6.37325,-6.98,-1.34,-5.584582408847145
COc1ccc([C@@H]2NO[C@@H](C3=C(N)[NH+]=N[C@@H]3SC)N2)cc1,C64612577_decoy,GLCM,Decoy,0,-8.37055,-8.49,-1.08,-10.708213545774887
Cc1cc(=O)[nH]c(NCC[NH2+]CC(=O)Nc2cnccn2)n1,C65398805_decoy,GLCM,Decoy,0,-7.59459,-6.57,-2.8,-7.6137162200052115
Cc1ccc(OC2(C(=O)N[C@@H](C(N)=O)C(C)C)CC[NH2+]CC2)cn1,C65406895_decoy,GLCM,Decoy,0,-6.9246,-7.48,-3.48,-5.576708082342155
C[C@H](CNC(=O)Nc1cnn(CC(N)=O)c1)C[NH+]1CCCC1,C65429148_decoy,GLCM,Decoy,0,-7.38403,-7.47,-2.68,-6.994205956386266
CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2cnn(CC(N)=O)c2)CC1,C65430228_decoy,GLCM,Decoy,0,-6.92924,-7.56,-1.44,-7.826863674162942
Cc1sc2nc(CC[NH3+])nc(N[C@@H](C)c3ncn[nH]3)c2c1C,C65435877_decoy,GLCM,Decoy,0,-8.14158,-6.43,-3.06,-7.565876861449542
CNC(=O)C[NH+]1CCC(NC(=O)NNC(=O)CCC(C)C)CC1,C67390553_decoy,GLCM,Decoy,0,-8.30378,-6.94,-1.9,-10.791006457281872
CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc2c([nH]c1=O)CCCC2,C67473397_decoy,GLCM,Decoy,0,-7.37804,-7.43,-1.32,-8.11235034919551
CCc1nn(-c2cc(Oc3ccc(C)c(C)c3)nc(SC)n2)c(N)c1C(N)=O,C00632662_decoy,GLCM,Decoy,0,-8.22229,-6.74,-0.89,-5.598773021867079
COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)c1,C05025433_decoy,GLCM,Decoy,0,-6.13501,-8.88,-1.36,-5.639172266446651
COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)cc1,C05112342_decoy,GLCM,Decoy,0,-5.38932,-6.79,-0.79,-5.936780863449698
COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)ccc2OC)cc1,C07364001_decoy,GLCM,Decoy,0,-7.90618,-6.78,-3.46,-5.364529557870242
NC(=O)N/N=C/c1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21,C01471044_decoy,GLCM,Decoy,0,-5.92049,-8.68,-1.72,-7.808475493280452
Cc1cccc(C(=O)OCc2nc(N)nc(Nc3ccc(F)cc3)n2)c1O,C16584343_decoy,GLCM,Decoy,0,-8.63562,-8.29,-2.69,-6.729229221171614
Cc1[nH]c(SCc2nc(N)nc(Nc3ccc(F)cc3)n2)nc1Cc1ccccc1,C16657861_decoy,GLCM,Decoy,0,-9.01244,-6.51,-3.28,-5.5920818509320025
Nc1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)nc(Nc2ccc(F)cc2)n1,C16673960_decoy,GLCM,Decoy,0,-7.67551,-6.9,-3.64,-7.006298472974162
COc1ccc(-c2nnc(SCc3nc(N)nc(Nc4ccc(C)cc4)n3)[nH]2)cc1,C16946033_decoy,GLCM,Decoy,0,-7.6141,-8.99,-3.19,-10.17335229889615
CC(C)(C)c1ccc(-c2nnc(SCc3nc(N)c4ccccc4n3)n2N)cc1,C18261170_decoy,GLCM,Decoy,0,-8.04244,-6.95,-2.57,-6.756385290083987
C/C(=C\C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)NNC(=O)c1ccccc1O,C05612694_decoy,GLCM,Decoy,0,-6.01233,-7.0,-3.55,-5.8814670956631225
Nc1nc(Nc2ccccc2F)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-],C09242368_decoy,GLCM,Decoy,0,-5.27634,-6.57,-1.28,-4.395544721070168
Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCc1ccccc1Cl,C20527828_decoy,GLCM,Decoy,0,-6.64147,-8.86,-2.43,-6.513946227977952
CC(C)CNC(=O)NC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3,C21240438_decoy,GLCM,Decoy,0,-8.08429,-7.24,-3.03,-6.07734327531727
Cc1ccc(C)c(NC(=O)CSc2nnc(N/N=C/C=C/c3ccccc3)n2N)c1,C21317690_decoy,GLCM,Decoy,0,-7.79907,-6.86,-4.21,-7.894161574744309
CCN(CC)c1ccc(/C=N/Nc2nnc(SCc3ccccc3C)n2N)c(O)c1,C21325737_decoy,GLCM,Decoy,0,-7.79443,-6.34,-2.81,-5.598015272587914
N#Cc1c(CCCNc2ncnc3scc(-c4ccc(Cl)cc4)c23)n[nH]c1N,C23296129_decoy,GLCM,Decoy,0,-8.84416,-8.08,-2.13,-6.340849054238318
CCCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(N)=O)cc2)cc1OC,C26353938_decoy,GLCM,Decoy,0,-6.70753,-7.2,-3.27,-5.790157444497206
C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cccc3ncccc23)cc1,C26991780_decoy,GLCM,Decoy,0,-6.52069,-9.29,-3.58,-7.917105032053566
C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1,C29811680_decoy,GLCM,Decoy,0,-7.67765,-7.39,-2.3,-6.130717907486964
CCCCC/C=C/C(=O)N(C)[C@@H](C(=O)NC1CCCCC1)c1c(O)cc(O)cc1O,C36526212_decoy,GLCM,Decoy,0,-7.6246,-8.05,-1.59,-6.6760204493403
CCCC(=O)N(C)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1c(O)cc(O)cc1O,C36535455_decoy,GLCM,Decoy,0,-6.94734,-6.79,-1.49,-6.082096666699792
CCCCNC(=O)[C@H](c1c(O)cc(O)cc1O)N(CCC)C(=O)C=C(C)C,C36573585_decoy,GLCM,Decoy,0,-6.7598,-7.02,-2.43,-6.196618634326326
CC(C)(C)NC(=O)[C@H](c1ccccc1O)N(C(=O)c1cccc(O)c1O)C(C)(C)C,C36586940_decoy,GLCM,Decoy,0,-6.5698,-7.59,-3.32,-5.414178929105817
CC(C)=CC(=O)N([C@@H](C(=O)NC1CCCCC1)c1c(O)cc(O)cc1O)C(C)(C)C,C36589129_decoy,GLCM,Decoy,0,-6.32662,-8.44,-2.3,-5.8713040546919135
CCCC(=O)N([C@@H](C(=O)NC1CCCCC1)c1c(O)cc(O)cc1O)C(C)(C)C,C36589431_decoy,GLCM,Decoy,0,-5.78388,-6.16,-2.83,-4.657058986212936
C=C(C)C(=O)N([C@H](C(=O)NC1CCCCC1)c1c(O)cc(O)cc1O)C(C)(C)C,C36591933_decoy,GLCM,Decoy,0,-6.72645,-7.45,-0.63,-5.68476890184976
Nc1nc(CSc2n[nH]c(/C=C/c3cccs3)n2)nc(Nc2ccccc2)n1,C14334951_decoy,GLCM,Decoy,0,-6.761,-5.13,-3.33,-3.867582391457612
O=C(/C=C/c1ccc(-c2ccccc2)s1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C39559549_decoy,GLCM,Decoy,0,-8.69412,-7.13,-5.1,-6.080572817659822
COc1ccc(C(=O)NNc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1,C40727475_decoy,GLCM,Decoy,0,-6.99498,-7.71,-2.25,-8.197184446372967
CCOC(=O)c1ccc(Nc2ncnc(NCCC3=CCCCC3)c2N)cc1,C40755959_decoy,GLCM,Decoy,0,-7.52806,-6.49,-2.12,-4.838910138522053
CC(=O)c1ccc(Nc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2N)cc1,C40782820_decoy,GLCM,Decoy,0,-6.73063,-6.9,-2.15,-4.546962613152901
CCCCOc1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(N)=O)CCC3)cc1,C40824359_decoy,GLCM,Decoy,0,-7.55443,-6.93,-1.78,-9.283299749118378
Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1/C(=N/NC(N)=O)CCC2,C40824369_decoy,GLCM,Decoy,0,-7.49066,-7.85,-2.64,-7.867232376496203
Nc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc(Nc2ccccc2)n1,C45411634_decoy,GLCM,Decoy,0,-7.03285,-7.38,-3.78,-5.520069275566429
COc1ccc(C(N)=O)cc1NC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1,C47566090_decoy,GLCM,Decoy,0,-8.14475,-7.23,-3.96,-6.960218858960853
CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1,C48455083_decoy,GLCM,Decoy,0,-6.06004,-6.25,-3.38,-5.376267292078421
Cc1n[nH]c(O)c1[C@@H](c1c(O)n[nH]c1C)c1cn(Cc2ccccc2)c2ccccc12,C19812047_decoy,GLCM,Decoy,0,-7.04611,-6.44,-1.96,-4.516767450323433
Cc1ccc(COc2cccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)c2)cc1,C08782323_decoy,GLCM,Decoy,0,-7.03053,-6.51,-1.87,-5.144097932265363
C=C1C=C([O-])N2C(=NC(NCCc3c[nH]c4ccccc34)=[NH+][C@H]2c2ccccc2)N1,C36569780_decoy,GLCM,Decoy,0,-6.10449,-7.65,-2.21,-7.337741640361739
COc1ccc([C@H](C)NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F,C58159951_decoy,GLCM,Decoy,0,-6.30674,-8.42,-3.99,-6.518076515316576
Nc1nc(CSc2nc3cc(F)c(F)cc3[nH]2)nc(Nc2ccc(F)cc2)n1,C58611245_decoy,GLCM,Decoy,0,-8.87745,-9.18,-2.95,-6.24451344220685
C[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(S(N)(=O)=O)cc1,C43349638_decoy,GLCM,Decoy,0,-7.90638,-7.12,-1.77,-5.713198787049225
C[C@@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)c1cc2ccccc2o1,C58884682_decoy,GLCM,Decoy,0,-7.51806,-6.58,-5.05,-6.014355961965433
COc1ccc(-c2cc(=O)[nH]c(/N=C(\N)Nc3cccc(Cl)c3Cl)n2)cc1,C17082799_decoy,GLCM,Decoy,0,-8.11854,-8.68,-1.4,-7.617245721138638
C/C(=N\Nc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1)c1ccccc1O,C59830217_decoy,GLCM,Decoy,0,-7.74873,-6.09,-4.06,-5.529208053698621
[H]/N=C(\NC(=S)Nc1ccc(CC)cc1)Nc1nc(C)c2cccc(OC)c2n1,C17197208_decoy,GLCM,Decoy,0,-6.09872,-7.7,-4.0,-5.465975537688792
CC(C)COC(=O)Nc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1,C65828227_decoy,GLCM,Decoy,0,-5.98297,-9.55,-2.8,-6.334156000304999
CCOC(=O)N[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)CC(C)C,C66240414_decoy,GLCM,Decoy,0,-8.385,-6.25,-1.77,-6.898692816537524
CCOC(=O)c1c(N)oc2c(-c3ccccc3)c3c(C(=O)OCC)c(N)oc3cc12,C67300046_decoy,GLCM,Decoy,0,-6.1272,-6.24,-2.97,-6.666338305535231
C[C@H]([NH3+])c1ccc2c(c1)N(C[C@H](O)CO)C(=O)C(C)(C)O2,C19769302_decoy,GLCM,Decoy,0,-6.81648,-6.02,-0.58,-4.615558684059977
CCC[C@H](C)[C@@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C20252139_decoy,GLCM,Decoy,0,-6.58808,-8.1,-1.73,-5.138619667939765
NC(=O)C1CC[NH+](C[C@H](N)c2ccc(F)c(F)c2)CC1,C22564628_decoy,GLCM,Decoy,0,-6.54442,-7.27,-1.28,-4.719560015618075
NC(=O)[C@H]1CCC[NH+](C[C@@H](N)c2c(F)cccc2F)C1,C36879186_decoy,GLCM,Decoy,0,-6.82798,-6.61,-3.31,-4.748761173672432
Nc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1,C36985197_decoy,GLCM,Decoy,0,-7.63867,-7.64,-0.84,-9.870535286804303
[NH3+]CCNC(=O)C(=O)Nc1cccc2c1CCCC2,C37243595_decoy,GLCM,Decoy,0,-7.5827,-5.1,-2.58,-5.831527367944565
C[C@@H](CO)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1,C37258182_decoy,GLCM,Decoy,0,-7.73405,-7.18,-1.18,-5.546356867025582
CC(C)NC(=O)CNC(=O)c1cc(C#CC[NH3+])ccc1F,C37571588_decoy,GLCM,Decoy,0,-7.90488,-7.64,-1.9,-6.72766884174655
Cc1ccccc1CN(C)C(=O)[C@@H]([NH3+])CC(N)=O,C37626319_decoy,GLCM,Decoy,0,-8.13637,-7.43,-2.37,-11.915314482243932
Cc1cc([C@H](C)NC(=O)CNC(=O)C[NH3+])c(C)s1,C37626718_decoy,GLCM,Decoy,0,-6.02541,-5.57,-0.73,-6.945074354243393
COc1ccc([C@@H]([NH3+])CCCC(N)=O)cc1OC,C37635968_decoy,GLCM,Decoy,0,-7.09182,-6.42,-1.5,-9.389879376303613
COc1cc(C)c([C@@H]([NH3+])CCCC(N)=O)cc1OC,C37641288_decoy,GLCM,Decoy,0,-7.29905,-4.57,-3.21,-4.073722077135395
NC(=O)CN(Cc1ccc(N)cc1)c1cc[nH+]cc1,C37672389_decoy,GLCM,Decoy,0,-6.19067,-6.44,-2.08,-4.8074648367431605
CSc1ccc(CN(C)C(=O)[C@@H]([NH3+])CC(N)=O)cc1,C37798997_decoy,GLCM,Decoy,0,-9.51827,-7.02,-3.17,-9.532359313091533
C[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(C(N)=O)cc1,C37806053_decoy,GLCM,Decoy,0,-7.16112,-7.32,-1.52,-5.469391911763957
NC(=O)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCC1,C37813913_decoy,GLCM,Decoy,0,-6.411,-5.15,-0.84,-5.656940991917581
C#CCNC(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1,C38091939_decoy,GLCM,Decoy,0,-8.07216,-6.61,-1.44,-7.760338488277284
CC(C)(C)c1noc([C@@H]([NH3+])Cc2ccc(O)c(O)c2)n1,C40225983_decoy,GLCM,Decoy,0,-8.8082,-5.91,-1.29,-4.619668522414454
CCCNC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CCSC,C40462739_decoy,GLCM,Decoy,0,-8.64938,-5.69,-1.76,-9.461432393887993
CCCNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCSC,C40462740_decoy,GLCM,Decoy,0,-9.711,-5.51,-3.33,-6.508810703598368
CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCCCNC1=O,C40462867_decoy,GLCM,Decoy,0,-9.37922,-5.3,-1.11,-7.422868826403918
Cc1cc2c(n1CCCS(N)(=O)=O)CC(C)(C)C[C@@H]2[NH3+],C41732751_decoy,GLCM,Decoy,0,-7.76631,-4.87,-0.73,-4.392707667942373
CC1(C)Cc2c(ccn2CCCS(N)(=O)=O)[C@H]([NH3+])C1,C41732768_decoy,GLCM,Decoy,0,-8.23608,-4.77,-1.58,-5.692961673700669
CC(C)N(CC(N)=O)C(=O)c1ccc(C#CC[NH3+])cc1F,C42440980_decoy,GLCM,Decoy,0,-7.76645,-6.88,-1.03,-9.528170971635475
CN(CC(N)=O)[C@@H](C[NH3+])c1ccc(Br)cc1,C42953027_decoy,GLCM,Decoy,0,-7.45413,-5.12,-1.48,-5.3256898065810505
C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC(N)=O,C43091453_decoy,GLCM,Decoy,0,-6.20733,-5.83,-3.59,-4.671191299038949
NC(=O)c1ccccc1O[C@@H](C[NH3+])c1ccccn1,C43342952_decoy,GLCM,Decoy,0,-5.62181,-6.05,-0.94,-5.062225985872027
C[C@@H]([NH3+])[C@H](N1CCC(C(N)=O)CC1)C(F)(F)F,C43376550_decoy,GLCM,Decoy,0,-5.18031,-5.99,-1.02,-6.044642416938093
[NH3+][C@H](CCO)c1cc(Br)cc([N+](=O)[O-])c1O,C44233969_decoy,GLCM,Decoy,0,-6.55727,-6.87,-0.87,-7.361991968786112
Cc1ccc(Sc2nc3sccn3c2[C@H]([NH3+])CC(N)=O)cc1,C44253819_decoy,GLCM,Decoy,0,-9.23268,-7.82,-2.75,-6.603427362408126
COc1ccc([C@H]([NH3+])CC(N)=O)cc1C(F)(F)F,C44254838_decoy,GLCM,Decoy,0,-5.6438,-6.74,-1.35,-8.879733776578268
COc1ccc2c(c1)c([C@@H]([NH3+])CC(N)=O)cn2C,C44256467_decoy,GLCM,Decoy,0,-7.58917,-6.84,-1.32,-9.131797890520671
COc1ccc2cc([C@H](N)C[NH3+])c(OC)nc2c1,C44476857_decoy,GLCM,Decoy,0,-7.36058,-7.31,-0.79,-10.415329576937925
CNC(=O)[C@H](C)NC(=O)C1(C[NH3+])CCCCCC1,C44763555_decoy,GLCM,Decoy,0,-6.74665,-5.58,0.17,-6.389517370863672
C[C@]([NH3+])(CCn1ccc(C(F)(F)F)n1)C(N)=O,C45460157_decoy,GLCM,Decoy,0,-6.27695,-6.55,-1.1,-9.37951890960923
Cc1cc(SCCC[C@](C)([NH3+])C(N)=O)n(C)n1,C52312134_decoy,GLCM,Decoy,0,-8.68409,-6.19,-1.15,-10.232294553197995
N[C@H](CC[NH+](CCO)CCO)c1ccc(F)cc1,C53981187_decoy,GLCM,Decoy,0,-6.74061,-6.45,-2.42,-9.716970700671167
CCCNC(=O)[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+],C55090887_decoy,GLCM,Decoy,0,-5.91727,-7.38,-1.96,-7.302004123028249
CC(C)NC(=O)CNC(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+],C55128382_decoy,GLCM,Decoy,0,-6.45772,-6.93,-1.55,-7.284233832431983
CC(C)N(CC(N)=O)C(=O)[C@H]1CCC[C@H](C)[C@H]1[NH3+],C55129084_decoy,GLCM,Decoy,0,-7.50385,-6.34,-2.24,-7.620923549074379
CC(C)CN(CC(N)=O)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1,C55138606_decoy,GLCM,Decoy,0,-7.98497,-7.23,-4.22,-6.149527228478659
NC(=O)C1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1,C55145043_decoy,GLCM,Decoy,0,-7.90607,-7.46,-1.18,-5.497640826240668
CC[C@@H](CC[NH3+])N1CCCN([C@@H](C)C(N)=O)CC1,C37049694_decoy,GLCM,Decoy,0,-8.7305,-5.7,-3.09,-8.581383894335186
CC[C@H](CC[NH3+])N1CCCN([C@@H](C)C(N)=O)CC1,C37049695_decoy,GLCM,Decoy,0,-7.40872,-4.9,-1.7,-5.381813564816802
NS(=O)(=O)c1ccc(CNC2CC[NH2+]CC2)cc1,C38040537_decoy,GLCM,Decoy,0,-7.51683,-7.36,-1.18,-5.593814163176457
[NH3+]CCNC(=O)C(=O)Nc1cc(F)cc(F)c1F,C61098498_decoy,GLCM,Decoy,0,-6.42077,-5.62,-0.3,-6.251656723318531
C[C@@H](CC(N)=O)C[C@H]([NH3+])c1ccc2c(c1)OCCO2,C61829668_decoy,GLCM,Decoy,0,-8.07573,-7.17,-2.25,-5.579393188428461
NC(=O)CCn1c(=O)c(C[NH3+])cc2ccccc21,C62336466_decoy,GLCM,Decoy,0,-5.77406,-6.36,-1.4,-5.541492926818779
NC(=O)[C@H]([NH3+])CCn1cc(Br)cn1,C62536232_decoy,GLCM,Decoy,0,-7.15537,-5.93,-0.84,-9.510429256100954
CCC[C@]1(C(=O)NC(C)(C)C(N)=O)CCC[NH2+]C1,C62858954_decoy,GLCM,Decoy,0,-7.1151,-6.96,-3.07,-8.14113364718715
CCCCN(c1ccc(Br)cc1)c1nc(N)nc(N)c1N=O,C04707910_decoy,GLCM,Decoy,0,-8.05538,-5.56,-2.37,-6.282045441787731
O=[N+]([O-])c1c(Nc2ccc(O)cc2)ncnc1Nc1ccc(O)cc1,C05335704_decoy,GLCM,Decoy,0,-5.64694,-5.87,-1.69,-4.055328567092729
CC(C)CCNC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N,C03503391_decoy,GLCM,Decoy,0,-7.19069,-6.67,-3.87,-5.11169853658753
Cc1ccccc1CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1,C06309507_decoy,GLCM,Decoy,0,-6.80376,-7.44,-2.11,-6.918965513832592
COc1ccc(-c2cc(C(=O)NNC(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)[nH]n2)cc1,C07738539_decoy,GLCM,Decoy,0,-8.05385,-8.92,-2.56,-10.922788641506726
O=C(NCCNc1ccc(Nc2ccccn2)nn1)Nc1ccccc1F,C11697395_decoy,GLCM,Decoy,0,-6.19968,-7.37,-2.27,-5.241704668630354
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C15574861_decoy,GLCM,Decoy,0,-6.28881,-8.76,-1.67,-7.095263349348187
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1,C16739493_decoy,GLCM,Decoy,0,-6.85344,-8.48,-1.49,-5.415487525936549
Cc1ccccc1NC(=O)CSc1nnc(NN=C2CCCCC2)n1N,C21327047_decoy,GLCM,Decoy,0,-6.94492,-6.73,-1.97,-5.143545096075357
C[C@@H](Nc1nc(N)nc(NCCc2ccncc2)n1)c1ccc(F)cc1,C28369841_decoy,GLCM,Decoy,0,-6.97802,-8.17,-3.3,-7.850786303652233
CCNC(=O)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N,C03524554_decoy,GLCM,Decoy,0,-8.17519,-7.16,-2.07,-8.433197211529471
CCOc1ccc(Oc2ccc(N[C@H](C)C(=O)NC(N)=O)cc2)cc1,C28909758_decoy,GLCM,Decoy,0,-9.11196,-7.58,-2.73,-8.904190284662514
COc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1OCC(N)=O,C32879895_decoy,GLCM,Decoy,0,-7.44612,-7.93,-3.84,-6.458621802169205
COCCCNC(=O)Nc1c(C(C)(C)C)nn(-c2cc(F)ccc2F)c1N,C34784863_decoy,GLCM,Decoy,0,-7.36998,-1.28,-5.23,-3.167045557867376
CC(C)=CC(=O)N(C)[C@@H](C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,C36535140_decoy,GLCM,Decoy,0,-6.85001,-7.31,-3.85,-5.806302223472831
CCCC(=O)N(CCC)[C@H](C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,C36573886_decoy,GLCM,Decoy,0,-7.44346,-6.56,-3.52,-5.854930047693688
CC(C)(C)N(C=O)[C@H](C(=O)NC1CCCCC1)c1c(O)cc(O)cc1O,C36585492_decoy,GLCM,Decoy,0,-7.71816,-8.81,-1.41,-7.005840308428967
CC(=O)c1cccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2N)c1,C40705316_decoy,GLCM,Decoy,0,-6.91882,-7.3,-1.46,-6.977482701568367
Cc1cccc2sc(Nc3ncnc(Nc4cccnc4)c3N)nc12,C40759715_decoy,GLCM,Decoy,0,-7.66761,-7.52,-2.68,-5.392161014248563
Cc1ccc(Sc2ncnc(NNC(=O)COc3ccccc3)c2N)cc1,C40783393_decoy,GLCM,Decoy,0,-7.22582,-6.68,-2.41,-5.3809674993574514
Nc1c(Nc2cccnc2Cl)ncnc1Nc1cccc2ncccc12,C40797057_decoy,GLCM,Decoy,0,-7.80259,-7.98,-1.13,-7.0063178405242175
C[C@H](Nc1cccc(NC(=O)C(C)(C)C)c1)C(=O)NC(=O)NC(C)(C)C,C42666855_decoy,GLCM,Decoy,0,-6.1479,-6.02,-4.63,-5.283700255514252
CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Nc1ccccc1,C42678012_decoy,GLCM,Decoy,0,-7.2375,-7.21,-1.74,-5.413505219057505
CC[C@H](C)c1ccc([C@H](NC(=O)NNC(=O)C(=O)NC2CC2)C(C)C)cc1,C43902297_decoy,GLCM,Decoy,0,-7.10359,-7.55,-2.08,-6.911935957937466
CCC(=O)Nc1ccc([C@@H](C)NC(=O)Nc2cccc(NC(=O)OC)c2)cc1,C47712490_decoy,GLCM,Decoy,0,-6.72932,-6.18,-3.85,-5.214507486001989
COCc1ccccc1NC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1,C47890846_decoy,GLCM,Decoy,0,-7.07219,-6.53,-3.04,-5.865856544428486
CCOc1ccc(NC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(C)c1,C48142943_decoy,GLCM,Decoy,0,-7.64351,-6.46,-2.17,-7.916362862015684
Cc1cc(C(=O)NCC(C)C)ccc1NCC(=O)NC(=O)NC(C)(C)C,C50957954_decoy,GLCM,Decoy,0,-6.50663,-7.71,-2.59,-5.8538310708162165
CCOC(=O)N[C@@H](CNC(=O)N1CCO[C@H](C(N)=O)C1)CC(C)C,C51688474_decoy,GLCM,Decoy,0,-7.22058,-7.46,-1.95,-7.984138292065068
COc1cccc(NC(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1,C53733674_decoy,GLCM,Decoy,0,-6.98898,-7.75,-2.09,-5.509598714873016
O=C(NNC(=O)c1cc(-c2ccccc2)n[nH]1)N[C@@H](c1ccccc1)C1CC1,C09760627_decoy,GLCM,Decoy,0,-7.43171,-6.68,-2.61,-6.631968953637765
CCOC(=O)c1sc(N=C(N)N)nc1-c1ccc(OC)cc1,C20374510_decoy,GLCM,Decoy,0,-7.89133,-7.47,-1.42,-6.722204839797634
CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1,C55428279_decoy,GLCM,Decoy,0,-7.53356,-7.32,-1.5,-5.956171726803702
COc1ccc(N[C@H](C)C(=O)Nc2cccc(C)c2C)cc1OCC(N)=O,C56160442_decoy,GLCM,Decoy,0,-7.43715,-7.89,-2.4,-7.252069919797402
COc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCC(N)=O)cc1C,C56206868_decoy,GLCM,Decoy,0,-6.29302,-7.84,-3.11,-5.410274807731487
Cc1cc(OCC(N)=O)ccc1NC(=O)N[C@H](C)c1oc2ccccc2c1C,C56709460_decoy,GLCM,Decoy,0,-6.57335,-6.51,-3.85,-5.93699772391783
COc1ccc([C@H](C)NC(=O)Nc2ccc(OCC(N)=O)cc2C)cc1F,C56710557_decoy,GLCM,Decoy,0,-6.93758,-8.05,-2.02,-6.9695294170762905
Cc1cc(OCC(N)=O)ccc1NC(=O)N[C@@H](C)COc1ccccc1C,C56725450_decoy,GLCM,Decoy,0,-7.12123,-6.33,-2.48,-6.224938902101916
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H](C)NC(N)=O,C57456629_decoy,GLCM,Decoy,0,-6.87116,-7.51,-1.54,-8.668023331650168
COc1ccc(COC(=O)N/N=C/c2c(O)cc(O)cc2O)cc1,C59147883_decoy,GLCM,Decoy,0,-8.55061,-7.73,-1.12,-10.62265342742448
CC1=C(C(=O)N/N=C/c2ccc(O)cc2)[C@@H](c2ccccc2Cl)NC(=O)N1,C59385700_decoy,GLCM,Decoy,0,-7.07538,-7.98,-2.65,-5.851334232840672
CC1=C(C(=O)N/N=C/c2cccc(Cl)c2)[C@@H](c2ccc(O)cc2)NC(=O)N1,C59385798_decoy,GLCM,Decoy,0,-7.55334,-9.06,-1.4,-6.769214944897142
COc1cc([C@@H]2CC(=O)N=C3NNC(Nc4ccccc4)=C32)cc(OC)c1O,C15085116_decoy,GLCM,Decoy,0,-6.58331,-6.85,-4.02,-4.614449822878447
Cc1ccc(NC(=O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c(Cl)c1,C63677843_decoy,GLCM,Decoy,0,-5.38964,-8.79,-2.4,-8.647607798026138
Cc1ccc(NC(=S)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1,C13685935_decoy,GLCM,Decoy,0,-6.69026,-6.45,-2.19,-5.629437654734127
COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Nc2cccc(NC(=O)CO)c2)c1,C66582582_decoy,GLCM,Decoy,0,-7.80996,-8.26,-2.58,-10.151141550512838
CC(C)C[C@@H](NC(N)=O)C(=O)N1CCC(NC(=O)Oc2ccccc2)CC1,C67178940_decoy,GLCM,Decoy,0,-7.19049,-7.6,-2.71,-6.862628436130652
NC(=O)NCc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1,C67240874_decoy,GLCM,Decoy,0,-7.02547,-6.5,-3.05,-6.550098341188546
COc1cc(/C=C/C(=O)Nc2ccc(CNC(N)=O)cc2)ccc1OC(C)C,C67263047_decoy,GLCM,Decoy,0,-6.89285,-8.41,-2.24,-7.198825477695683
COc1ccccc1C(=O)NNC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C,C67581741_decoy,GLCM,Decoy,0,-7.38818,-7.35,-2.74,-6.740028594000191
[NH3+]C1(C(=O)NCC(=O)[O-])C2CC3CC(C2)CC1C3,C01736292_decoy,GLCM,Decoy,0,-7.31503,-7.35,-1.89,-5.521439914809273
O=C1NC(=S)NC(=O)C1=CNc1ccc(O)cc1,C17174203_decoy,GLCM,Decoy,0,-5.95406,-7.72,-0.67,-4.921085216768383
C[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)[C@@H](O)[C@H]1O,C22010045_decoy,GLCM,Decoy,0,-5.05918,-5.45,-1.03,-2.9111207413095306
Cc1n[nH]c(N)c1[C@@](O)(c1nccn1C)C(F)(F)F,C24927166_decoy,GLCM,Decoy,0,-5.31344,-5.07,-1.35,-3.321163105131115
C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)[O-])CC1,C35083833_decoy,GLCM,Decoy,0,-6.67938,-6.27,-1.1,-6.928582521604334
CC(C)[C@@H](NC(N)=O)C(=O)N1CCC[C@H](O)C1,C35187003_decoy,GLCM,Decoy,0,-6.73618,-7.42,-0.42,-5.71025105403233
NC(=O)CCN1C(=O)Cc2cc(N)ccc21,C35322472_decoy,GLCM,Decoy,0,-4.89536,-7.42,-1.24,-4.508398286209006
CNS(=O)(=O)c1ccc(N2CCNC(=O)C2)c(N)c1,C35333772_decoy,GLCM,Decoy,0,-6.97233,-5.8,-0.57,-5.364849060661797
NC(=O)[C@@H]1CCCN1C(=O)c1cc(N)cn1C1CC1,C36862422_decoy,GLCM,Decoy,0,-6.20845,-7.72,-1.43,-7.38958698777974
CNC(=O)NC(=O)CSc1ccc(N)cc1,C37182089_decoy,GLCM,Decoy,0,-5.77271,-5.96,-2.95,-6.166999970422841
CC(C)(C)C1(C)O[C@@H](C(N)=O)[C@H](C(N)=O)O1,C00053295_decoy,GLCM,Decoy,0,-5.9481,-5.43,-1.69,-3.566800308122448
NNC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl,C40168044_decoy,GLCM,Decoy,0,-8.1088,-6.28,-0.57,-8.80320953511721
CC1(C)[C@@H](C(N)=O)CC[C@@]1(C)[C@H]1NC(=O)NC1=O,C26441761_decoy,GLCM,Decoy,0,-5.53123,-6.55,-2.35,-3.87057878737709
CN(CC(N)=O)C(=O)c1cc2cc(N)ccc2o1,C40303166_decoy,GLCM,Decoy,0,-5.21157,-5.09,-0.45,-3.5863788487586774
CN(Cc1cnn(C)c1)C(=O)c1cc(N)cc(N)c1,C40334127_decoy,GLCM,Decoy,0,-5.61998,-6.85,-1.16,-4.418008527596808
[NH3+]C1(C(=O)NC2(C(=O)[O-])CCCC2)CCCCC1,C40481300_decoy,GLCM,Decoy,0,-8.13048,-5.77,-2.1,-5.2251508783804015
Nc1cc(Cl)nc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO)O1,C40506053_decoy,GLCM,Decoy,0,-6.60316,-6.28,-0.7,-5.000539902769839
C[C@@H]1CCC[C@](NC(=O)C2([NH3+])CCCC2)(C(=O)[O-])C1,C41036712_decoy,GLCM,Decoy,0,-8.35876,-5.99,0.29,-9.460746131052952
Nc1cc(N)cc(C(=O)O[C@H]2CCOC2=O)c1,C41064613_decoy,GLCM,Decoy,0,-6.18252,-5.83,-0.47,-4.412225990985795
[NH3+][C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1C(=O)[O-],C42431201_decoy,GLCM,Decoy,0,-7.51485,-6.77,-0.81,-7.331080773088571
NC(=O)[C@@H]1CCCCN1C(=O)CC(N)=S,C44412572_decoy,GLCM,Decoy,0,-6.9122,-4.81,-1.14,-4.21374042711042
NC(=O)C1CCN(C(=O)C2(C(N)=S)CCCC2)CC1,C44768175_decoy,GLCM,Decoy,0,-6.89816,-6.6,-0.31,-4.988640267233083
N/C(=N/O)C1(C(=O)N2CCC[C@@H]2CO)CCCC1,C44785691_decoy,GLCM,Decoy,0,-6.65836,-5.35,-2.15,-3.760896066899856
C[C@@H]1CN(C[C@](C)(N)C(N)=O)C[C@@H](C)O1,C45227914_decoy,GLCM,Decoy,0,-6.52044,-6.17,-0.92,-9.579243283634131
C[C@@H]1CN(C(=O)c2cc(N)cc(N)c2)CC(C)(C)O1,C45661391_decoy,GLCM,Decoy,0,-5.67459,-7.34,-1.87,-5.572466513339101
C[C@H]1CN(C[C@](C)(N)C(N)=O)CC(C)(C)O1,C45709433_decoy,GLCM,Decoy,0,-6.50524,-5.2,-1.74,-3.642689014337108
NC(=O)[C@H]1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1,C45953614_decoy,GLCM,Decoy,0,-7.13618,-7.88,-0.78,-4.993696974639141
CNC(=O)NNC(=O)c1[nH]nc(C)c1Br,C48950832_decoy,GLCM,Decoy,0,-6.54326,-6.03,-1.52,-7.194497704958106
Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(N)(=O)=O,C06733193_decoy,GLCM,Decoy,0,-5.84474,-8.46,-1.45,-5.9847186358701325
CNC(=O)NC(=O)[C@@H](C)Oc1ccc(C)nc1N,C50440969_decoy,GLCM,Decoy,0,-6.17064,-7.74,-1.93,-9.247492503619956
C[C@@H](Sc1ncnc2nc[nH]c12)/C(N)=N/O,C51036546_decoy,GLCM,Decoy,0,-7.43054,-6.6,-0.43,-5.422876761883723
NNc1cc(C(=O)N2CCNC(=O)C2)cc(Cl)n1,C51122031_decoy,GLCM,Decoy,0,-6.70729,-5.1,-1.31,-3.6697576833290064
CCn1c(N)c(N2CC[C@@H](CO)C2)c(=O)[nH]c1=O,C51886332_decoy,GLCM,Decoy,0,-7.56708,-5.85,-0.68,-4.73589748265121
O=c1[nH]nc(N[C@@H]2CCCC[C@@H]2O)c(=O)[nH]1,C52006770_decoy,GLCM,Decoy,0,-6.81787,-7.12,-2.85,-5.1689104050604575
CCn1c(N)c(N[C@H]2C[C@@H]2C)c(=O)[nH]c1=O,C52290247_decoy,GLCM,Decoy,0,-5.63181,-6.59,-1.31,-6.089014135790065
NC1=Nc2[nH]cnc2[C@@H](OCc2ccncc2)N1,C27562890_decoy,GLCM,Decoy,0,-6.38367,-6.6,-1.3,-6.798472498513556
C[C@H]1CCC[C@@](CO)(Nc2n[nH]c(=O)[nH]c2=O)C1,C53110037_decoy,GLCM,Decoy,0,-5.81918,-6.79,-2.29,-4.310578086322968
C[C@H](CNC(=O)N1CCC([NH3+])CC1)C(=O)[O-],C54336293_decoy,GLCM,Decoy,0,-6.73084,-6.69,-0.54,-5.454337738437856
NC(=S)c1nccnc1N[C@H]1CCCNC1=O,C54398278_decoy,GLCM,Decoy,0,-7.74263,-7.28,-1.08,-7.479709811365934
NC(=O)c1nccnc1Oc1ccc(N)cc1,C54399225_decoy,GLCM,Decoy,0,-6.6545,-4.96,-1.55,-4.6679217938920745
NC(=O)c1cccc(Cn2cc(N)cn2)c1,C54405046_decoy,GLCM,Decoy,0,-5.41405,-6.29,-0.95,-4.152575091901263
CN1C(=O)NC(=O)/C(=C/Nc2ccccc2N)C1=O,C06391857_decoy,GLCM,Decoy,0,-5.46382,-5.73,-0.58,-3.477060108168433
Cc1n[nH]c2c1[C@@H](c1ccoc1)C(C#N)=C(N)N2,C00809313_decoy,GLCM,Decoy,0,-5.43162,-6.07,-0.37,-3.177988316334865
N[C@@H](Cc1cnc[nH]1)C1=NC(=C2C=CC(=O)C=C2)NO1,C21056632_decoy,GLCM,Decoy,0,-6.02495,-6.49,-3.37,-4.111495004417223
NC(=O)[C@H]1CCCCN1C(=O)C1(C(N)=S)CCCC1,C44781309_decoy,GLCM,Decoy,0,-5.8856,-6.31,-0.95,-1.661863410137753
Cc1nn(C)c(C)c1C(=O)N[C@H]1CCC[C@H]1/C(N)=N/O,C61886561_decoy,GLCM,Decoy,0,-6.81698,-7.29,-0.23,-5.101702324202159
Nc1cc2c(cc1N1CCNC(=O)CC1)NC(=O)CO2,C62100422_decoy,GLCM,Decoy,0,-7.95398,-8.7,-2.1,-5.4826866668913325
CC(C)(C(=O)N1CCNC(=O)CC1)/C(N)=N/O,C62101362_decoy,GLCM,Decoy,0,-5.71485,-6.81,-1.41,-4.7582785766022
CNC(=O)[C@H](C)Nc1ncnc(Cl)c1N,C62363336_decoy,GLCM,Decoy,0,-6.75312,-6.56,-1.36,-8.157235783185738
C[C@@]1(C(=O)[O-])CC[NH+](CC(=O)NC(N)=O)C1,C62936187_decoy,GLCM,Decoy,0,-5.34262,-7.97,-0.91,-5.05642937409772
[NH2+]=c1[nH]c(=O)[nH]cc1F,C04277635_decoy,GLCM,Decoy,0,-4.92932,-5.49,-0.05,-3.970094037013548
NNC1=[NH+]CCN1,C02170264_decoy,GLCM,Decoy,0,-5.09985,-3.38,0.8,-2.754395123685074
C[C@@H]([NH3+])c1ccc[nH]1,C11848726_decoy,GLCM,Decoy,0,-4.79426,-4.79,0.34,-6.191816385090324
[NH3+][C@H]1CNC(=O)C1,C16837744_decoy,GLCM,Decoy,0,-5.30508,-3.95,-0.12,-2.3349789090258533
NC(=[NH2+])N1CCNCC1,C19770110_decoy,GLCM,Decoy,0,-6.68051,-4.24,-0.11,-3.7682125221229774
[NH3+][C@@H]1CNNC1=O,C20216427_decoy,GLCM,Decoy,0,-5.50324,-4.97,0.36,-4.607088195041721
[NH3+]C[C@@H](O)Cn1ccnc1,C22171972_decoy,GLCM,Decoy,0,-6.68445,-5.33,-0.02,-10.524975337416954
CO[C@@H]1CNCC[C@H]1[NH3+],C34122487_decoy,GLCM,Decoy,0,-5.22511,-3.89,-0.93,-2.8405837204082465
N[C@H]1COC[C@@H]1[NH3+],C34241163_decoy,GLCM,Decoy,0,-5.68176,-3.79,-0.81,-2.3933679914926618
C[C@@H]([NH3+])c1ncc[nH]1,C35255572_decoy,GLCM,Decoy,0,-5.83681,-4.69,-0.63,-7.502126047676376
N[C@H](C[NH3+])c1c(F)cccc1F,C35677064_decoy,GLCM,Decoy,0,-5.71003,-4.5,-0.42,-3.919022449398336
N[C@@H](C[NH3+])c1ccsc1,C35677071_decoy,GLCM,Decoy,0,-7.85098,-4.4,-0.46,-4.118863994420257
CC1(C)CN(C[C@@H](O)C[NH3+])CCO1,C36232311_decoy,GLCM,Decoy,0,-7.12706,-5.62,-0.57,-10.592104053272564
Nc1ncncc1C[NH3+],C02559587_decoy,GLCM,Decoy,0,-6.03542,-4.99,-0.69,-5.856682397664832
Cc1nc(N)ncc1C[NH3+],C39053502_decoy,GLCM,Decoy,0,-5.77473,-5.41,-0.96,-8.317513785046811
Cn1c(N)nccc1=[NH2+],C39073732_decoy,GLCM,Decoy,0,-5.40643,-5.0,-0.75,-4.794177272815593
C[C@H](O)CN(C)C(N)=[NH2+],C39077904_decoy,GLCM,Decoy,0,-6.25054,-3.71,-0.32,-3.785206490090139
CN(C(N)=[NH2+])C(N)=S,C39077946_decoy,GLCM,Decoy,0,-7.69942,-4.47,-0.57,-8.99918366229953
CN1CCN(CCN[NH3+])CC1,C39113603_decoy,GLCM,Decoy,0,-8.51547,-5.19,-0.74,-7.395409176992504
NC(=[NH2+])c1nccs1,C39134688_decoy,GLCM,Decoy,0,-7.33443,-4.93,-0.11,-8.002821664207108
C[C@@H]([NH3+])Cc1n[nH]c(N)n1,C41050745_decoy,GLCM,Decoy,0,-5.95311,-5.62,-0.03,-5.5940429098076585
CN(CC[NH3+])C(N)=O,C41055388_decoy,GLCM,Decoy,0,-4.94873,-4.49,-0.87,-6.34815611727841
CC[C@H]([NH3+])c1n[nH]c(C(C)C)n1,C41058566_decoy,GLCM,Decoy,0,-6.70251,-4.38,-1.35,-3.8991294107893752
CC[C@H](C)[C@@H]([NH3+])c1n[nH]c(=O)[nH]1,C42040413_decoy,GLCM,Decoy,0,-6.1466,-5.86,-1.08,-4.197766373036656
NCC(Cl)(Cl)C[NH3+],C44236396_decoy,GLCM,Decoy,0,-7.43754,-4.01,-0.78,-7.429027404181047
CC(=O)[C@@H](C[NH3+])C(N)=S,C44249437_decoy,GLCM,Decoy,0,-8.21391,-4.93,-0.53,-9.17810088030225
CC(=O)[C@H](C[NH3+])C(N)=S,C44249439_decoy,GLCM,Decoy,0,-7.1093,-4.97,-0.53,-8.176233346139325
CSc1ccc([C@@H](N)C[NH3+])s1,C44469957_decoy,GLCM,Decoy,0,-7.31445,-4.33,-0.38,-4.721289156596838
C=C1NC[C@H]([NH3+])C(=O)N1,C44564093_decoy,GLCM,Decoy,0,-6.29829,-5.58,-0.06,-5.760683026756855
N/[NH+]=C(/N)c1ccon1,C44588049_decoy,GLCM,Decoy,0,-6.52617,-6.08,-0.41,-7.662515763994706
C[C@@H]([NH3+])[C@H](N)C(F)F,C47845241_decoy,GLCM,Decoy,0,-4.98465,-4.56,-1.1,-6.667555985310816
CC(=O)NNC(=O)[C@H]([NH3+])C(C)C,C49805100_decoy,GLCM,Decoy,0,-6.6354,-6.16,-1.05,-7.687964563227924
C#CCNCC[NH3+],C50523683_decoy,GLCM,Decoy,0,-5.4464,-4.0,-0.14,-6.739697505012552
Cc1[nH+]c([C@H](C)N)[nH]c1-c1ccco1,C54085089_decoy,GLCM,Decoy,0,-5.06351,-5.76,-0.67,-6.64043809626517
NC(=O)Cc1ncc(C[NH3+])cn1,C54855290_decoy,GLCM,Decoy,0,-7.2408,-4.13,-0.6,-4.199930142128033
CC[C@H]1NC(=O)N(CC[NH3+])C1=O,C57839937_decoy,GLCM,Decoy,0,-5.2794,-5.72,-1.24,-5.621870633436493
CCCc1nc([C@H](C)[NH3+])n[nH]1,C41058659_decoy,GLCM,Decoy,0,-6.27195,-5.44,-0.6,-6.222438445602334
COCC1=[NH+]N=C(N)NN1,C49474209_decoy,GLCM,Decoy,0,-5.27587,-5.17,-1.7,-3.4861598722110627
C[C@H](C[NH+](C)C)C(=O)NN,C58837673_decoy,GLCM,Decoy,0,-4.84425,-5.5,-2.37,-6.350225589035649
Cc1c[nH]c([C@@H](C)N)[nH+]1,C37412391_decoy,GLCM,Decoy,0,-4.47586,-4.87,-0.25,-5.176305564935563
CCc1c[nH]c([C@@H](C)N)[nH+]1,C50182074_decoy,GLCM,Decoy,0,-4.69664,-4.5,-1.14,-3.127546690415623
CC(C)Cc1nc([C@H](C)[NH3+])n[nH]1,C61843929_decoy,GLCM,Decoy,0,-6.10773,-5.59,-0.67,-4.953283349175077
C[C@H](C[NH3+])N1CCNC(=O)CC1,C62099957_decoy,GLCM,Decoy,0,-6.36821,-5.58,0.01,-5.964181473823529
NC(=O)CC[NH+]1CCNC(=O)CC1,C62101777_decoy,GLCM,Decoy,0,-5.74169,-5.89,-3.61,-4.09463904517764
O=c1[nH]nc([C@H]2CC[NH2+]C2)[nH]1,C62132757_decoy,GLCM,Decoy,0,-5.71307,-4.39,0.16,-2.909989457456279
[NH3+]CCc1nnc(-c2cn[nH]c2)o1,C62780023_decoy,GLCM,Decoy,0,-6.55355,-4.6,-0.77,-3.6026035481161305
CN[C@@]1(C[NH3+])CCS(=O)(=O)C1,C62962739_decoy,GLCM,Decoy,0,-6.92491,-4.87,-0.29,-7.211045444231306
C[C@H]([NH3+])c1cnc(N)nc1,C40448481_decoy,GLCM,Decoy,0,-6.32401,-5.6,-0.6,-4.046920837454013
[NH2+]=C1NCCC(=O)N1,C16990869_decoy,GLCM,Decoy,0,-6.44433,-5.38,-0.26,-4.862815383460591
Nc1nc(=O)[nH]c[nH+]1,C18180628_decoy,GLCM,Decoy,0,-6.33155,-3.15,-0.56,-1.9462631326958169
Cc1cc(OCC(=O)N/C(=C/c2ccc(F)cc2)C(=O)[O-])cc(C)c1Cl,C04227777_decoy,GLCM,Decoy,0,-6.20912,-6.41,-2.98,-4.831450358118127
O=C(N[C@@H](C(=O)[O-])c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21,C02379450_decoy,GLCM,Decoy,0,-4.05213,-8.99,-1.39,-4.902213127538632
Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])c1,C04724580_decoy,GLCM,Decoy,0,-6.19195,-8.23,-3.08,-10.765074289802694
O=C(Oc1ccc2ccccc2c1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2,C04818929_decoy,GLCM,Decoy,0,-6.71469,-10.21,-0.53,-6.158434957490401
O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21,C00917648_decoy,GLCM,Decoy,0,-7.92411,-10.13,-3.98,-9.03300690324626
CC(C)[C@@H](Nc1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)C(=O)[O-],C05548871_decoy,GLCM,Decoy,0,-6.57181,-7.23,-2.98,-6.7314305945980015
O=C(N[C@H](C(=O)[O-])c1cccs1)OCC1c2ccccc2-c2ccccc21,C02389718_decoy,GLCM,Decoy,0,-6.38486,-8.06,-1.39,-5.418798895796925
O=C([O-])CC/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1nc2ccccc2s1,C08708073_decoy,GLCM,Decoy,0,-8.57284,-7.31,-3.82,-5.787838639520275
Cc1cccc(C)c1NC(=O)COc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-],C13014561_decoy,GLCM,Decoy,0,-7.61576,-5.61,-1.81,-4.866069662993365
O=C(COc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-])Nc1cccc(F)c1,C13014800_decoy,GLCM,Decoy,0,-6.83356,-5.79,-5.45,-4.758500169071962
Cc1cc(C)c(C(=O)[O-])c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2F)n1,C13023517_decoy,GLCM,Decoy,0,-6.91284,-6.52,-3.13,-5.329621486611485
Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccc(C(=O)[O-])c1,C06275731_decoy,GLCM,Decoy,0,-7.35561,-7.64,-1.28,-5.030805967515724
O=C(/C=C/c1ccc(I)o1)Nc1ccccc1C(=O)[O-],C13094984_decoy,GLCM,Decoy,0,-6.08588,-5.67,-2.53,-5.222251352181579
COc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1,C13177788_decoy,GLCM,Decoy,0,-5.39721,-8.08,-1.34,-6.216273591932529
Cc1ccc(C(=O)[O-])cc1O[C@H](C)C(=O)Nc1ccc(Br)cc1F,C13248861_decoy,GLCM,Decoy,0,-7.13958,-7.99,-1.76,-6.303722174754924
C[C@H](Oc1cccc(C(=O)[O-])c1)C(=O)Nc1ccc(Br)cc1F,C13308850_decoy,GLCM,Decoy,0,-6.17508,-6.09,-1.2,-4.574861972079892
C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccc(Cl)c(Cl)c1,C13309842_decoy,GLCM,Decoy,0,-8.17979,-6.63,-2.29,-5.392311343215714
C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccc(Cl)c(Cl)c1,C13309844_decoy,GLCM,Decoy,0,-8.01143,-5.46,-2.05,-4.83861819512381
C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccc2c(c1)CCCC2,C13310984_decoy,GLCM,Decoy,0,-7.86736,-8.3,-3.8,-6.262426195143764
C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1,C13402208_decoy,GLCM,Decoy,0,-6.89551,-7.76,-2.5,-6.137427419121169
C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1F,C13414051_decoy,GLCM,Decoy,0,-5.9265,-7.01,-4.19,-5.005199859887511
O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21,C13450202_decoy,GLCM,Decoy,0,-7.209,-10.89,-1.04,-9.094187973649229
CC1(C)CC([O-])=C(C(=S)Nc2ccccc2)/C(=N/Cc2ccc3c(c2)OCO3)C1,C04679024_decoy,GLCM,Decoy,0,-7.79988,-6.3,-0.88,-6.237668382608193
S=c1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ncc2c([S-])[nH]1,C05450600_decoy,GLCM,Decoy,0,-8.07708,-7.89,-2.69,-8.21509623260116
COc1cc(CNc2ccc(C(=O)[O-])cc2C)cc(Br)c1OC,C20881250_decoy,GLCM,Decoy,0,-7.80701,-5.99,-2.17,-4.897938682224533
COc1ccccc1/N=C(\[S-])N/C=C(/C#N)C(=O)c1ccc2ccccc2c1,C08651966_decoy,GLCM,Decoy,0,-7.42499,-6.85,-2.91,-5.3962840786115445
C[C@H](NC(=O)c1cc2c(C(F)(F)F)cc([O-])nc2o1)c1ccccc1Cl,C12749988_decoy,GLCM,Decoy,0,-6.58619,-6.05,-1.5,-4.204122048974345
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2ccccc2Cl)cc1C,C40123785_decoy,GLCM,Decoy,0,-7.58456,-6.57,-4.36,-5.540667707033809
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2ccccc2Cl)cc1C,C40123946_decoy,GLCM,Decoy,0,-7.00544,-8.27,-4.06,-5.940335956175869
Cc1cc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2ccccc2F)cc(C)c1OCC(C)C,C40124226_decoy,GLCM,Decoy,0,-6.90268,-6.28,-2.94,-4.884073689691341
O=C1C=C(Nc2nc(SCc3ccccc3)n[n-]2)C[C@@H](c2ccccc2)C1,C04737037_decoy,GLCM,Decoy,0,-6.98226,-8.35,-2.11,-5.206723318524579
Cc1cccc(N/C([O-])=C(\C#N)C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)c1,C50756385_decoy,GLCM,Decoy,0,-7.05973,-7.45,-2.17,-7.214227278119419
COc1cc(Cl)c(C)cc1N/C([O-])=C(\C#N)C(=O)c1ccc2c(c1)CCC2,C50800766_decoy,GLCM,Decoy,0,-6.8807,-6.78,-3.55,-6.531400956597401
COc1ccccc1/C=C/C([O-])=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F,C51403118_decoy,GLCM,Decoy,0,-6.37395,-8.24,-2.99,-7.314292150838383
COC(=O)/C([O-])=C1/C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(F)c(F)c1,C07942902_decoy,GLCM,Decoy,0,-7.30614,-8.43,-0.84,-5.334414740867289
COC(=O)/C([O-])=C1/C(c2ccccc2Cl)=NC(=S)N[C@H]1c1ccccc1,C52538461_decoy,GLCM,Decoy,0,-7.19501,-5.26,-2.89,-4.1245028424102
Cc1ccc(-c2nnc([S-])n2CC(=O)N[C@H](C)Cc2ccccc2F)cc1,C54166558_decoy,GLCM,Decoy,0,-8.71289,-6.53,-2.42,-5.829363494339018
COc1cc(/C=C2\SC([N-]c3ccccc3Br)=NC2=O)ccc1O,C16692686_decoy,GLCM,Decoy,0,-8.40305,-8.82,-1.95,-7.355042340810625
CCOC(=O)C1=NC(=S)N[C@@H](c2cccc(-c3ccccc3)c2)/C1=C(\C)[O-],C56055490_decoy,GLCM,Decoy,0,-6.33354,-6.79,-1.05,-4.440759914742471
CCOC(=O)C1=NC(=S)N[C@H](c2cc(Cl)cc(Cl)c2)/C1=C(\C)[O-],C56055493_decoy,GLCM,Decoy,0,-8.78692,-5.51,-1.61,-4.912179720835945
CCOC(=O)C1=NC(=S)N[C@@H](c2ccccc2C(F)(F)F)/C1=C(/[O-])C1CC1,C56055584_decoy,GLCM,Decoy,0,-5.68026,-5.36,-2.85,-3.966329534230348
C[C@H]([C@H]1CCC=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21)[C@@H](C)C(=O)[O-],C56955945_decoy,GLCM,Decoy,0,-9.27101,-6.9,-3.67,-6.558707430241945
[O-]/C(=N\c1nc(C(F)(F)F)n[nH]1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2,C14361443_decoy,GLCM,Decoy,0,-6.49065,-9.51,-1.6,-5.24209772249269
CC(C)CN(C)C(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825525_decoy,GLCM,Decoy,0,-6.35814,-4.7,-3.18,-3.5145102385124214
COc1ccc(-c2c(C(=O)[O-])sc3c2NC(=O)C[C@H]3c2cccc(F)c2)cc1,C64797013_decoy,GLCM,Decoy,0,-6.80819,-5.65,-2.67,-4.825932282921166
C[C@H](NC(=O)[C@H](C)n1c([S-])nnc1-c1cccs1)c1ccc(F)c(F)c1,C65490291_decoy,GLCM,Decoy,0,-6.29777,-7.54,-3.16,-7.716081200863453
C[C@@H](NC(=O)[C@H](C)n1c([S-])nnc1-c1cccs1)c1ccc(F)c(F)c1,C65490294_decoy,GLCM,Decoy,0,-6.66993,-6.87,-3.65,-5.113582565672849
C[C@@H](Oc1ccccc1C(F)(F)F)/C([O-])=C(/C#N)C(=O)Nc1ccccc1,C66230756_decoy,GLCM,Decoy,0,-5.85795,-7.53,-2.77,-4.7630688967626975
O=C(CCn1c([S-])nnc1-c1ccc(F)cc1)Nc1ccc(F)cc1F,C66778414_decoy,GLCM,Decoy,0,-8.55528,-8.02,-1.85,-6.306356634596209
COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(C)c(F)c2)N=C([S-])N1,C67437393_decoy,GLCM,Decoy,0,-8.70013,-8.03,-1.55,-6.754519406465017
O=[N+]([O-])C=C1NCCN1,C04110384_decoy,GLCM,Decoy,0,-4.59734,-4.67,0.47,-2.569377975478654
[NH3+]C[C@H](F)C(=O)[O-],C02040271_decoy,GLCM,Decoy,0,-4.444,-3.59,-0.45,-2.78260971036299
C[C@H](O)Cn1cc(C#N)c(=O)[nH]c1=O,C00481095_decoy,GLCM,Decoy,0,-4.72411,-5.67,-0.62,-3.650828108246212
O=C1NCCNC1=O,C04529748_decoy,GLCM,Decoy,0,-4.02818,-4.07,-0.12,-1.6423119280672065
Cc1nc(N)ncc1N,C01562299_decoy,GLCM,Decoy,0,-4.53162,-5.12,-3.0,-3.615014747799058
Cc1cc(N)nc(=O)[nH]1,C01667421_decoy,GLCM,Decoy,0,-4.49162,-3.88,-0.59,-1.6371102323850428
N#Cc1cn2cnnc2nc1N,C00164234_decoy,GLCM,Decoy,0,-4.39807,-4.92,-0.49,-2.1379613106785564
CS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1,C01666762_decoy,GLCM,Decoy,0,-4.43619,-5.39,-0.64,-3.237973158578246
O=C1NC(=O)[C@@H]2N=CN[C@@H]2N1,C12138158_decoy,GLCM,Decoy,0,-5.38507,-5.53,-0.26,-2.534279836831219
[H]/N=c1\sn(CC=C)c(N)c1C#N,C04101369_decoy,GLCM,Decoy,0,-6.33135,-5.15,-0.89,-5.736142635932882
[O-][n+]1c[nH]c(=S)c2[nH]cnc21,C13219625_decoy,GLCM,Decoy,0,-5.29603,-4.62,-0.63,-3.599980254441276
CN1C(=O)N[C@H]2[C@@H]1NC(=O)N2C,C00069939_decoy,GLCM,Decoy,0,-3.83943,-5.31,-0.59,-2.1578752315799474
Cc1c[nH]c(=O)[nH]c1=O,C00157062_decoy,GLCM,Decoy,0,-3.8379,-6.22,-0.48,-4.57576092369318
C=c1[nH]c(=O)c(=C)[nH]c1=O,C01562955_decoy,GLCM,Decoy,0,-4.46044,-5.82,-0.48,-2.399787806084277
Nc1ncnc2ocnc12,C01615910_decoy,GLCM,Decoy,0,-4.33685,-5.74,-0.59,-4.44127611736658
O=C1NC(=O)C2(CCC2)N1,C01682849_decoy,GLCM,Decoy,0,-4.46484,-5.54,-0.35,-4.102161386101452
COC(=O)C#CC(N)=O,C01744474_decoy,GLCM,Decoy,0,-5.5082,-2.91,-1.72,-2.209096903216932
O=C1NC[C@H](Cl)C(=O)N1,C16137471_decoy,GLCM,Decoy,0,-4.91843,-5.53,-0.27,-4.132416814138863
Nc1ncc2c(n1)N=CNC2,C17158018_decoy,GLCM,Decoy,0,-5.28019,-5.82,-1.42,-2.893162121452661
Cc1nncc(N)n1,C19801101_decoy,GLCM,Decoy,0,-4.28876,-3.78,-0.64,-1.9252081585120648
N#C[C@H](N)c1ccncc1,C19986197_decoy,GLCM,Decoy,0,-4.58574,-5.55,-1.27,-5.190180861990438
NC1=CC(=O)[C@H]2O[C@H]2C1=O,C20732516_decoy,GLCM,Decoy,0,-4.37319,-4.06,-0.78,-2.213101328714113
O=c1[nH]cc(F)c(N[O-])[nH+]1,C06091046_decoy,GLCM,Decoy,0,-4.83405,-5.16,-0.7,-3.175059201354424
C=C[C@@](C)([NH3+])C(=O)[O-],C32218058_decoy,GLCM,Decoy,0,-4.90981,-3.3,-0.7,-2.442581171825556
N[C@H]1SC(=O)NC1=O,C33509365_decoy,GLCM,Decoy,0,-4.88203,-4.7,-0.21,-2.288972492152285
Cc1nc(=O)c2[nH]c(=S)[nH]c2[nH]1,C17298998_decoy,GLCM,Decoy,0,-6.50418,-5.81,-0.94,-4.284687518010772
CN1N=C[C@@H](C#N)[C@H]1N,C36378029_decoy,GLCM,Decoy,0,-4.36286,-5.19,0.19,-3.741194449168676
CC(=O)NNC(=O)[C@@H](C)Cl,C36819471_decoy,GLCM,Decoy,0,-4.58514,-5.8,-0.65,-3.894832928402018
NC1=N[C@@H]2N=CN=C2C(Cl)=N1,C38974964_decoy,GLCM,Decoy,0,-6.02115,-4.42,,99.0
[H]/N=C1/C=C[C@H](C#N)C(=O)N1,C39051524_decoy,GLCM,Decoy,0,-4.6458,-3.81,-0.15,-2.3840623205844254
Nc1nc[nH]c(=O)c1F,C05204781_decoy,GLCM,Decoy,0,-5.13979,-4.63,-0.05,-2.23135184119257
CC(=O)/C(C=O)=N\N,C39067245_decoy,GLCM,Decoy,0,-4.12453,-3.52,-1.44,-3.11800512842848
CO[C@@](C)(N)C(C)=O,C39068019_decoy,GLCM,Decoy,0,-4.38671,-4.61,-1.88,-5.103366596463224
CC(=O)C1=NN(C)C(=O)[C@@]1([NH3+])[O-],C39069451_decoy,GLCM,Decoy,0,-5.41353,-3.9,-0.68,-2.392034632341677
C[C@@H](O)c1n[nH]c(=S)n1C,C39070827_decoy,GLCM,Decoy,0,-6.38414,-5.06,-0.57,-3.623116248166317
Cn1cnc(C#N)c1N,C39073618_decoy,GLCM,Decoy,0,-4.62744,-5.12,-0.52,-4.057696712855421
[NH3+][C@H]1C=CC(C(=O)[O-])=CC1,C39083024_decoy,GLCM,Decoy,0,-6.29645,-3.91,0.46,-2.8165417779095394
N#CC1(C#N)C[C@@]1(C#N)C(N)=O,C15080278_decoy,GLCM,Decoy,0,-5.75305,-4.81,-0.74,-2.959381912452172
O=C1Cc2[nH]ccc(=O)c2N1,C44713395_decoy,GLCM,Decoy,0,-4.78767,-6.52,-0.25,-2.814668678321404
Nc1cc(=O)[nH]c(=O)n1C1CCC1,C52211151_decoy,GLCM,Decoy,0,-5.24897,-6.35,-0.48,-3.432588934668644
Nc1nc(-c2ncccn2)no1,C52708778_decoy,GLCM,Decoy,0,-5.51707,-5.9,-0.49,-3.879657316416484
N[C@H]1CCSC1=O,C54009855_decoy,GLCM,Decoy,0,-5.8121,-3.67,-0.42,-2.1552335111053447
S=C1N[C@H]2NCN[C@H]2N1,C19327648_decoy,GLCM,Decoy,0,-6.68626,-5.19,-0.37,-5.807090668497657
Nc1nnc([C@@H]2COCCO2)s1,C55302319_decoy,GLCM,Decoy,0,-7.70933,-6.37,-0.38,-4.698586942406949
Nn1c(=O)cn[nH]c1=S,C16382956_decoy,GLCM,Decoy,0,-6.10635,-4.2,-0.55,-3.3966774345718496
CC[C@@H]([NH3+])c1nn[n-]n1,C32250055_decoy,GLCM,Decoy,0,-5.21279,-3.57,-0.55,-2.602645630016424
N#C[C@H](NN)c1ccncc1,C58517575_decoy,GLCM,Decoy,0,-5.65905,-5.35,-0.64,-3.916741496756862
Cc1nn(C)c2[nH]c(=O)[nH]c(=O)c12,C63110904_decoy,GLCM,Decoy,0,-5.05689,-7.68,-0.79,-6.810003408174681
Nc1ccc([C@H](N)C(F)(F)F)cc1,C66055277_decoy,GLCM,Decoy,0,-4.92409,-4.97,-0.77,-2.949451398909204
O=C1N=C([O-])C[C@@]12CC[NH2+]C2,C67425253_decoy,GLCM,Decoy,0,-5.18215,-6.05,0.3,-5.357644620987838
[NH3+][C@H]1NC(=O)C=C[C@@H]1[N+](=O)[O-],C03852555_decoy,GLCM,Decoy,0,-5.82209,-5.92,0.31,-3.7124439171504
[NH3+][C@@H]1C(=O)NC(=O)NC1=S,C02043070_decoy,GLCM,Decoy,0,-6.66288,-5.93,-0.59,-6.095801790556087
NC(=O)N1CC[NH+](CCO)CC1,C02598087_decoy,GLCM,Decoy,0,-5.28363,-6.1,-0.78,-6.294458369925654
N[NH2+][C@@H]1CCCCNC1=O,C19813916_decoy,GLCM,Decoy,0,-5.65075,-4.07,0.46,-3.0584245994273664
CC(C)[C@H]([NH3+])c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C19842428_decoy,GLCM,Decoy,0,-5.85687,-7.64,-0.5,-6.526977368084671
[NH3+][C@H](C(=O)[O-])C1CC[NH2+]CC1,C02540041_decoy,GLCM,Decoy,0,-6.055,-3.58,0.13,-3.125570206623576
C[C@H](C(=O)NN)[NH+]1CCCC1,C22538882_decoy,GLCM,Decoy,0,-5.62848,-5.88,-0.61,-7.187217787524904
C[C@H](O)[C@H]([NH3+])c1nnc2n1CCC2,C34962127_decoy,GLCM,Decoy,0,-6.52688,-6.74,0.4,-7.68916169482643
C[C@H](O)[C@H]([NH3+])c1nnc2cnccn12,C35452486_decoy,GLCM,Decoy,0,-6.72705,-7.4,-0.2,-11.944712672515571
N[C@H]1NC=Nc2c1[nH+]cn2[C@H]1CC[C@H](CO)O1,C35566861_decoy,GLCM,Decoy,0,-7.69383,-5.54,-0.72,-4.612596641578321
Cc1cc2[nH]c(=[NH2+])nc(N)n2n1,C00001242_decoy,GLCM,Decoy,0,-5.24772,-6.48,-0.45,-4.651729688629902
N[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCO2,C35676943_decoy,GLCM,Decoy,0,-6.72351,-7.01,-0.04,-6.836970808122619
NC(=[NH2+])N1CCS(=O)(=O)CC1,C36162131_decoy,GLCM,Decoy,0,-6.80447,-4.38,-1.63,-4.716172771181241
[NH3+]CC1=CSCC(=O)N1,C36220442_decoy,GLCM,Decoy,0,-7.73236,-5.04,-0.01,-7.41557274270022
O=C1NC(=O)[C@H]([C@@H]2CCC[NH2+]C2)N1,C36379807_decoy,GLCM,Decoy,0,-5.70193,-6.72,-0.67,-5.397103034756832
NC1=[NH+]CNc2ncncc21,C39052803_decoy,GLCM,Decoy,0,-6.35555,-6.69,-0.08,-8.96928722570318
C[NH2+][C@H]1NN[C@@H](S(N)(=O)=O)S1,C39054597_decoy,GLCM,Decoy,0,-7.84402,-5.75,-0.53,-7.112898298959775
COC(=O)[C@@H]1CC[NH2+]C[C@@H]1N,C39088100_decoy,GLCM,Decoy,0,-6.46054,-6.05,-0.45,-6.771930177496324
C1CN[C@H](N2CC[NH2+]CC2)CN1,C39113739_decoy,GLCM,Decoy,0,-6.38593,-4.01,-0.44,-3.205290256732002
[NH3+]C[C@H](O)c1cncs1,C39134490_decoy,GLCM,Decoy,0,-7.86392,-4.89,0.03,-6.987674858373906
NC(=O)c1nnc2n1CC[NH2+]CC2,C39325890_decoy,GLCM,Decoy,0,-5.67216,-6.79,-2.04,-7.112182297439387
COC(=O)[C@H]1CNCC[C@@H]1[NH3+],C39941234_decoy,GLCM,Decoy,0,-6.20973,-5.64,-2.1,-6.274616228809757
COC(=O)[C@H]1CNCC[C@H]1[NH3+],C39941236_decoy,GLCM,Decoy,0,-6.46488,-4.22,-0.72,-3.465754788061201
O=C1NC(=O)[C@H]2C[NH2+]CC[C@H]2N1,C40448271_decoy,GLCM,Decoy,0,-5.46401,-6.93,-0.27,-4.8155317420183295
O=C1NC(=O)[C@H]2C[NH2+]CC[C@@H]2N1,C40448273_decoy,GLCM,Decoy,0,-5.99618,-7.17,-0.15,-5.010739769172541
CC[C@@H]([NH3+])c1n[nH]c(N)n1,C41050748_decoy,GLCM,Decoy,0,-6.44889,-5.82,0.15,-4.362476692373274
O=c1[nH]nc(C2CC[NH2+]CC2)[nH]1,C42040390_decoy,GLCM,Decoy,0,-6.21157,-6.35,0.16,-3.694699728350306
CC(C)[C@@H]([NH3+])c1nc[nH]n1,C42040911_decoy,GLCM,Decoy,0,-5.97882,-5.45,-1.04,-7.687524636801409
C[C@H]([NH3+])c1nnc(N)s1,C42384386_decoy,GLCM,Decoy,0,-6.66383,-4.16,-0.42,-3.290700390745643
N[C@H](C[NH3+])c1cc(Br)co1,C44470293_decoy,GLCM,Decoy,0,-7.26916,-5.18,-0.54,-6.374478439247965
N[C@@H](C[NH3+])c1cccc2c1OC(F)(F)O2,C44470335_decoy,GLCM,Decoy,0,-5.46723,-7.4,-0.27,-8.005092236207602
N[C@H](C[NH3+])c1ccc2cc[nH]c2c1,C44470701_decoy,GLCM,Decoy,0,-6.19143,-5.9,-0.3,-4.19250473131325
N[C@H](C[NH3+])c1cc(F)cc2c1OCOC2,C44470847_decoy,GLCM,Decoy,0,-5.64369,-7.59,-0.77,-7.11115918045846
Cc1ncsc1[C@H](N)C[NH3+],C44472558_decoy,GLCM,Decoy,0,-6.44607,-5.44,-0.28,-7.470534021532313
N[C@@H](C[NH3+])c1cccc2ccnn12,C44472909_decoy,GLCM,Decoy,0,-5.29706,-7.1,-0.02,-8.14520550526079
N[C@@H](C[NH3+])c1cc(F)cc2cc[nH]c12,C44477315_decoy,GLCM,Decoy,0,-6.35544,-8.94,-0.82,-9.273052171952584
Nc1cnc(C2=[NH+]CCN2)cn1,C45821092_decoy,GLCM,Decoy,0,-5.69352,-5.93,-0.12,-3.4686388966299098
NC(=[NH2+])N1CC[S+]([O-])CC1,C49691950_decoy,GLCM,Decoy,0,-6.10922,-5.09,-2.38,-6.370955691090415
Nc1[nH][nH+]cc1N1CC[S+]([O-])CC1,C49692562_decoy,GLCM,Decoy,0,-7.1524,-5.19,-1.04,-3.6715814538497584
C[C@@H](c1n[nH]c(=O)[nH]1)N1CC[NH2+]CC1,C51658931_decoy,GLCM,Decoy,0,-6.35867,-6.12,0.02,-4.155602314014264
C[C@H](O)[C@H]([NH3+])c1nc2ccc(F)cc2n1C,C52124416_decoy,GLCM,Decoy,0,-7.62952,-5.67,-0.21,-8.870246422132272
O=c1[nH]cnc2[nH]c(N3CC[NH2+]CC3)nc12,C19973426_decoy,GLCM,Decoy,0,-6.61445,-7.28,0.16,-10.835209321181022
O=C1C[C@H](NC2CC[NH2+]CC2)C(=O)N1,C36853655_decoy,GLCM,Decoy,0,-6.4789,-6.66,-0.43,-6.493335904913404
C[C@H](C[NH3+])C(=O)N1CCNC(=O)C1,C44796506_decoy,GLCM,Decoy,0,-6.15761,-5.41,-0.67,-6.201025885517252
[NH3+]Cc1nccnc1N1CCNC(=O)CC1,C62099176_decoy,GLCM,Decoy,0,-5.73093,-5.15,-1.89,-3.620428658913494
[NH3+][C@H](C1=CCCC1)c1cn[nH]c1,C62777295_decoy,GLCM,Decoy,0,-6.03688,-6.19,-0.07,-10.590523011874687
C[C@H]([NH3+])c1nnc(-c2cc[nH]n2)o1,C62780028_decoy,GLCM,Decoy,0,-6.67005,-6.67,-0.8,-4.159837613682295
NNC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2S1,C05562860_decoy,GLCM,Decoy,0,-7.14106,-5.07,-0.89,-3.51242176882321
N/[NH+]=C1/N[C@@H]2CS(=O)(=O)C[C@H]2S1,C05613046_decoy,GLCM,Decoy,0,-7.27978,-4.54,-0.08,-3.721292417951824
N/[NH+]=C1/N[C@@H]2CS(=O)(=O)C[C@@H]2S1,C05613051_decoy,GLCM,Decoy,0,-7.38465,-4.69,-0.91,-3.3673484993587426
[NH3+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1,C19842791_decoy,GLCM,Decoy,0,-6.06945,-7.72,-0.69,-4.94112670378786
COc1cc([C@@H](O)[C@@H](C)[NH3+])cc(Br)c1O,C20216862_decoy,GLCM,Decoy,0,-7.37136,-6.62,-1.41,-7.869445415361
NC(=O)c1ccccc1OC[C@@H]([NH3+])c1cc(F)ccc1F,C20263411_decoy,GLCM,Decoy,0,-5.981,-6.43,-3.41,-5.1503216524340045
NC(=O)c1ccc(Oc2ccc(C[NH3+])cc2F)cc1,C20470382_decoy,GLCM,Decoy,0,-7.21319,-5.73,-1.05,-6.050257414528589
CCCC[C@@H](CC)[C@H]([NH3+])c1ccc2[nH]c(=O)[nH]c2c1,C20482296_decoy,GLCM,Decoy,0,-7.78729,-6.39,-1.27,-5.641097752699649
CC[C@@H]([NH2+]CC(N)=O)c1cc(Br)ccc1O,C22165238_decoy,GLCM,Decoy,0,-6.9518,-6.82,-2.96,-8.146391376550156
NC(=O)c1ccc(-c2ccc(C3(O)CC[NH2+]CC3)cc2)cc1,C32541089_decoy,GLCM,Decoy,0,-6.73651,-6.28,-1.17,-6.082401623058643
[NH3+][C@@H](c1ccsc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C35379724_decoy,GLCM,Decoy,0,-7.71797,-6.79,-0.89,-5.902165937381206
Cc1ccc([C@H]([NH3+])c2ccc3[nH]c(=O)c(=O)[nH]c3c2)s1,C35379734_decoy,GLCM,Decoy,0,-7.46035,-6.96,-0.76,-5.494476871685098
CC1(C)CC([NH2+]C2CCN(C(N)=O)CC2)CC(C)(C)N1,C37232533_decoy,GLCM,Decoy,0,-7.46491,-7.75,-2.44,-7.274990951813734
C[C@]([NH3+])(C(N)=O)c1cc2cc(Br)ccc2o1,C37460051_decoy,GLCM,Decoy,0,-7.47943,-5.38,-0.92,-4.751848328716005
CC(C)(C)c1ccc([C@H]([NH3+])CCC(N)=O)cc1,C37636195_decoy,GLCM,Decoy,0,-6.87462,-7.84,-0.6,-10.941150744334736
[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)c[nH]1,C38049626_decoy,GLCM,Decoy,0,-7.9923,-5.25,0.0,-4.116450043036383
[NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c[nH]1,C38049628_decoy,GLCM,Decoy,0,-8.30545,-4.99,0.29,-5.528003907174374
CC(C)[C@@H](C)[NH+](C)Cc1ccc(C(N)=O)cc1N,C36786407_decoy,GLCM,Decoy,0,-6.90794,-7.19,-0.87,-5.149759756816174
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@H]([NH3+])CC(N)=O)C1,C37820714_decoy,GLCM,Decoy,0,-7.79947,-6.54,-1.83,-5.169943556760716
CC(C)(NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C(N)=O,C40675469_decoy,GLCM,Decoy,0,-7.56348,-6.38,-0.87,-6.873903882974696
NC(=O)COc1c(Br)cccc1CC[NH3+],C42412698_decoy,GLCM,Decoy,0,-6.29362,-3.9,-1.14,-3.034798788583564
C[C@@H]([NH3+])Cc1cccc(Br)c1OCC(N)=O,C42412799_decoy,GLCM,Decoy,0,-7.43749,-5.91,-1.79,-5.178431726024718
NC(=[NH2+])c1ccc(N(CCO)C2CCCCC2)c(F)c1,C42508014_decoy,GLCM,Decoy,0,-10.8227,-6.56,-1.29,-6.8902607527512165
Cc1[nH]c(N[C@H](C)c2cc(C)sc2C)c(N)[nH+]1,C42873176_decoy,GLCM,Decoy,0,-7.49722,-6.75,-1.64,-8.747199169690107
Cc1[nH]c(N[C@H](C)c2cccc(F)c2)c(N)[nH+]1,C42873210_decoy,GLCM,Decoy,0,-6.70622,-7.38,-3.55,-7.298798209830679
C[C@@H](COc1ccc(CC[NH3+])cc1Cl)C(N)=O,C43490858_decoy,GLCM,Decoy,0,-6.88685,-5.72,-1.04,-6.733793698580735
NC(=O)C[C@H]([NH3+])c1ccc(-c2ccccc2Cl)cc1,C44255091_decoy,GLCM,Decoy,0,-7.27113,-5.96,-2.68,-5.354973830085688
CC[C@H]([NH3+])Cc1cc(I)cnc1N,C44403065_decoy,GLCM,Decoy,0,-7.20744,-5.55,-3.02,-8.16744014274698
[NH3+][C@H](CO)Cc1c[nH]c2ccc(Br)cc12,C44464413_decoy,GLCM,Decoy,0,-6.60076,-5.19,-0.35,-4.75314676782181
Cn1c([C@@H](N)C[NH3+])c(-c2ccc(F)cc2)c2ccccc21,C44471236_decoy,GLCM,Decoy,0,-7.08593,-6.58,-3.39,-4.801407562925714
N[C@H](C[NH3+])c1ccc(-c2cccc(C(F)(F)F)c2)o1,C44472071_decoy,GLCM,Decoy,0,-6.30969,-7.91,0.16,-8.7252521517741
C[C@]([NH3+])(CCCOC1CCCCCC1)C(N)=O,C45465086_decoy,GLCM,Decoy,0,-7.66417,-6.36,-0.54,-7.663529488263608
C[C@H]1C[C@H](OCC[C@](C)([NH3+])C(N)=O)CC(C)(C)C1,C45473909_decoy,GLCM,Decoy,0,-8.10714,-6.93,-1.0,-10.544869877638371
C[C@@H]1C[C@@H](OCC[C@](C)([NH3+])C(N)=O)CC(C)(C)C1,C45473910_decoy,GLCM,Decoy,0,-8.22025,-6.66,-0.87,-12.134892715656576
C[C@]([NH3+])(CCCO[C@H]1CCCc2ccccc21)C(N)=O,C45502547_decoy,GLCM,Decoy,0,-7.97503,-7.18,-1.48,-10.057615778603736
C[NH+]1CC[C@H](Nc2cc3c(cc2N)CCC(=O)N3)C1,C49084132_decoy,GLCM,Decoy,0,-5.59671,-7.91,-0.35,-5.985616789144408
CN1CCCc2cc(C[C@H](C[NH3+])C(N)=O)ccc21,C50285959_decoy,GLCM,Decoy,0,-7.67572,-6.85,-0.82,-7.169365729608072
Nc1c(-c2cccc(C(F)(F)F)c2)[nH+]cn1N,C52838159_decoy,GLCM,Decoy,0,-4.99949,-5.59,-1.27,-4.342057615754404
CC(C)[C@H]([NH3+])C(=O)N[C@]1(CO)CCC[C@@H](C)C1,C53127536_decoy,GLCM,Decoy,0,-7.79748,-5.93,-0.55,-7.483647532186644
CC(C)[NH2+]CCNc1cccc(Cl)c1C(N)=O,C54267747_decoy,GLCM,Decoy,0,-6.48323,-6.65,-1.23,-9.831623814831904
NC(=O)CC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1,C55088751_decoy,GLCM,Decoy,0,-7.10777,-8.1,-0.84,-7.822707787476255
C[C@H]1[C@@H]([NH3+])CCC[C@H]1C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C,C55134600_decoy,GLCM,Decoy,0,-7.99287,-6.35,-0.83,-6.927894963453528
CC(C)(C)[C@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Cl,C58117941_decoy,GLCM,Decoy,0,-7.97266,-6.84,0.26,-5.31069341808831
CC[C@H](C)[C@H]([NH3+])c1cc2[nH]c(=O)[nH]c2cc1Cl,C58117952_decoy,GLCM,Decoy,0,-8.04986,-6.94,-1.54,-5.205598933483877
NNc1ccc(Cl)c(C[NH+]2CCC[C@H](O)C2)n1,C61638523_decoy,GLCM,Decoy,0,-7.51996,-6.93,-1.31,-4.958476694269675
Cc1c(C)c(C)c([C@H]([NH3+])CC(C)(C)CC(N)=O)c(C)c1C,C61825144_decoy,GLCM,Decoy,0,-6.43996,-7.31,-2.02,-9.195572725225176
NC(=O)c1ccc(OC2CCC([NH3+])CC2)cc1Cl,C61847624_decoy,GLCM,Decoy,0,-7.59299,-7.4,-0.75,-6.822080730451779
Cc1ccc2cccc(Nc3[nH]c(C)[nH+]c3N)c2n1,C61875055_decoy,GLCM,Decoy,0,-5.36206,-5.7,-0.9,-3.4449404244731783
CCC1CCC([NH+](C)CC[C@@H](N)C(N)=O)CC1,C62525900_decoy,GLCM,Decoy,0,-7.46944,-6.4,-4.18,-5.21283096893244
COc1ccccc1SCC[C@H]([NH3+])C(N)=O,C62601754_decoy,GLCM,Decoy,0,-8.64104,-5.32,-0.99,-10.528148941911804
C[C@H](Cn1cc(CC[NH3+])c2ccccc21)C(N)=O,C62950709_decoy,GLCM,Decoy,0,-6.91979,-7.01,-2.25,-7.974981909084088
[NH3+][C@H]1CCC[C@H]1NC(=O)c1cc(Br)c[nH]1,C63172876_decoy,GLCM,Decoy,0,-7.91314,-4.67,-0.16,-4.205627060243248
COc1ccc([C@@H]2NC(=S)[NH+]=C(N)N2)cc1,C34926942_decoy,GLCM,Decoy,0,-7.90778,-4.52,-0.82,-3.720077612086185
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(Oc3ccc(Cl)cc3)nc12,C02199246_decoy,GLCM,Decoy,0,-7.59619,-6.34,-3.38,-4.979253155822387
Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H](C)C(N)=O)cc2C1=O,C03475493_decoy,GLCM,Decoy,0,-6.75012,-6.34,-1.25,-5.672767818017341
COCc1cc(C)nc2sc3c(=O)n(N)c(-c4ccc(OC)cc4)nc3c12,C04710267_decoy,GLCM,Decoy,0,-7.13137,-6.46,-3.93,-4.776670368627005
CC(C)CNC(=O)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O,C03605353_decoy,GLCM,Decoy,0,-7.74012,-7.41,-0.84,-7.580460956223371
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC2(C#N)CCCC2)C1=O,C05167782_decoy,GLCM,Decoy,0,-6.90163,-7.98,-3.24,-7.79494992077076
C[C@@H](O)CNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4,C02323915_decoy,GLCM,Decoy,0,-9.70959,-5.36,-1.03,-6.0847877619125486
C[C@H]1CCc2nc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)sc2C1,C08072173_decoy,GLCM,Decoy,0,-7.25494,-8.73,-1.15,-6.793812201467688
CN(C)c1nc(N)nc(COC(=O)c2cccc(Br)c2)n1,C08772161_decoy,GLCM,Decoy,0,-8.33939,-6.43,-2.61,-5.562681945060102
COc1cccc(NC2=NN=C(c3ccc4c(c3)NC(=O)CO4)CS2)c1,C12543969_decoy,GLCM,Decoy,0,-8.29776,-8.76,-1.88,-8.872662740240251
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](Cc3ccccc3)[C@H]2C1,C04452984_decoy,GLCM,Decoy,0,-7.91241,-5.78,-2.7,-4.779634197631316
COc1ccccc1NC(=O)[C@@H]1[C@H](C)Nc2ncnn2[C@@H]1c1ccc(F)cc1,C20804146_decoy,GLCM,Decoy,0,-6.05039,-6.44,-3.63,-6.140067206330002
CC(C)NC(=O)NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1C,C22253651_decoy,GLCM,Decoy,0,-5.74358,-6.59,-2.86,-5.635973959672132
O=C(/C=C/c1ccc(N2CCCS2(=O)=O)cc1)Nc1cccc2cn[nH]c12,C26918443_decoy,GLCM,Decoy,0,-7.86475,-10.1,-2.74,-8.061341879670168
CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CCCCCC3)cc(C3CC3)nc21,C32059973_decoy,GLCM,Decoy,0,-7.73071,-7.4,-4.45,-8.464445531878441
NS(=O)(=O)[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1,C32911820_decoy,GLCM,Decoy,0,-6.8236,-8.22,-4.12,-9.215425924197373
COc1ccccc1NC(=O)[C@H]1[C@@H](C)Nc2ncnn2[C@H]1c1ccccc1F,C36701631_decoy,GLCM,Decoy,0,-7.04531,-6.73,-3.04,-4.541896496842156
CC(C)NC(=O)[C@H](C)N1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2C,C34792934_decoy,GLCM,Decoy,0,-6.73645,-6.11,-5.21,-4.422077144691831
CC(C)c1ccc(OCC(=O)Nc2nn(C)c3c2C[C@H](C)C(=O)N3)cc1,C38519166_decoy,GLCM,Decoy,0,-7.01936,-7.85,-2.32,-8.591125847767074
O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(-c2ccco2)n[nH]1,C38735086_decoy,GLCM,Decoy,0,-7.67627,-7.9,-2.9,-5.589062615889685
O=C(N[C@H](C(=O)/[NH+]=C1\C=CC2=NC([O-])=NC2=C1)c1ccccc1)c1cccs1,C38785156_decoy,GLCM,Decoy,0,-8.75709,-8.64,-1.67,-8.302246880437878
COc1ccc(N2NC=C3[C@H]2CC(C)(C)C[C@H]3NC(=O)C2=CN=N[C@@H]2C)cc1,C39516293_decoy,GLCM,Decoy,0,-7.61723,-6.75,-1.89,-7.403050448712376
Cc1cs/c(=N/C(=O)[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)C(C)C)[nH]1,C39977265_decoy,GLCM,Decoy,0,-8.02321,-5.67,-1.89,-6.59959811316031
Cc1cc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)n(Cc2ccccc2)n1,C41545843_decoy,GLCM,Decoy,0,-5.84597,-6.15,-2.69,-3.5554472106881385
CN(C)C(=O)Nc1ccccc1NC(=O)/C=C\c1ccc2c(c1)OCO2,C43270301_decoy,GLCM,Decoy,0,-6.04042,-6.38,-5.0,-5.704245595719475
O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)N[C@@H]1CCc2ccccc21,C44016563_decoy,GLCM,Decoy,0,-6.57397,-7.86,-1.43,-5.406751818137277
Cc1noc([C@@H](C)Sc2nnc(-c3cccc(Br)c3)n2N)n1,C45103357_decoy,GLCM,Decoy,0,-7.55625,-6.53,-1.86,-5.838597994490319
COc1ccc([C@@H](C)NC(=O)Nc2ccc(-n3nccn3)cc2)cc1F,C48335987_decoy,GLCM,Decoy,0,-5.67223,-6.43,-2.64,-5.537166322359713
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F,C48684278_decoy,GLCM,Decoy,0,-6.61878,-8.38,-2.5,-8.271031524664187
O=C(Cc1coc2cc3c(cc12)CCC3)NNC(=O)c1ccc2c(c1)OCO2,C15991382_decoy,GLCM,Decoy,0,-7.20188,-7.79,-0.65,-5.226449570691757
N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1,C04904808_decoy,GLCM,Decoy,0,-6.58157,-7.15,-2.22,-4.881032872395173
O=C(CCN1CCSc2ccccc21)NN1C(=O)NC2(CCCCC2)C1=O,C54254651_decoy,GLCM,Decoy,0,-7.8784,-8.52,-0.71,-6.899805325070861
CCn1nnnc1SCc1nc(N)c2c3c(sc2n1)CCCCC3,C09364204_decoy,GLCM,Decoy,0,-7.5758,-6.41,-1.86,-6.343339535969218
Cc1cc(=O)[nH]c(-c2cccc(NC(=O)/C=C/c3c(C)nn(C)c3Cl)c2)n1,C58319197_decoy,GLCM,Decoy,0,-7.41185,-9.5,-1.73,-6.104656836203982
Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)c1,C45689579_decoy,GLCM,Decoy,0,-7.46745,-6.55,-2.78,-5.754642110667039
Cc1cc(=O)[nH]c(N/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)n1,C18158912_decoy,GLCM,Decoy,0,-6.99483,-8.02,-0.85,-6.608199286473903
COc1ccc([C@@H]2C(C#N)=C(N)OC3=NN=C(C(C)(C)C)[C@@H]32)cc1OC,C04311934_decoy,GLCM,Decoy,0,-8.11557,-5.65,-2.4,-4.978399020552495
COc1ccc(OC)c([C@H]2C(C#N)=C(N)OC3=NN=C(c4ccc(C)cc4)[C@H]32)c1,C05095251_decoy,GLCM,Decoy,0,-7.52293,-8.61,-1.53,-5.74361537263174
COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(O)c2)c1,C44916795_decoy,GLCM,Decoy,0,-8.53946,-6.55,-1.2,-6.241122596217545
Cc1ccc(-c2cn(C[C@H]3CCCN(c4cc(C)nc(N)n4)C3)nn2)cc1,C65462354_decoy,GLCM,Decoy,0,-7.66584,-6.06,-3.67,-5.127201527888305
CCCn1cnnc1-c1nc2c([nH]1)C(=O)NC[C@H](c1ccc(Cl)cc1)C2,C65493246_decoy,GLCM,Decoy,0,-8.15969,-8.36,-0.65,-9.515252293918124
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2C[C@H](C)OC(C)(C)C2)cc1,C65690383_decoy,GLCM,Decoy,0,-6.43554,-6.78,-1.39,-4.7974318509973175
O=C1COc2ccc(C(=O)Nc3ccc(OC(F)F)c4ncccc34)cc2N1,C65858853_decoy,GLCM,Decoy,0,-7.28318,-9.34,-2.86,-10.333112918253796
C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O,C66263250_decoy,GLCM,Decoy,0,-6.85182,-7.97,-4.73,-5.358553463340189
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1nc(-c2ccccc2F)ccc1=O,C66265013_decoy,GLCM,Decoy,0,-6.85939,-8.15,-2.0,-6.152123682071407
CC(C)c1nc(C#N)c(NNC(=O)c2cnc(-c3cccs3)s2)o1,C66641826_decoy,GLCM,Decoy,0,-8.19559,-6.99,-1.94,-6.571664757349998
Cc1ncsc1CNC(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1,C66956359_decoy,GLCM,Decoy,0,-8.10906,-6.91,-1.9,-6.081266143499886
CCC1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1,C67028961_decoy,GLCM,Decoy,0,-7.28876,-5.97,-1.66,-5.211998170825753
C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(SC(=O)N(C)C)c2)NC1=O,C67072493_decoy,GLCM,Decoy,0,-7.71238,-8.48,-5.64,-7.37396617892381
Cc1c([C@@H](C)NC(=O)Nc2ccc(-n3cccn3)c(Cl)c2)cnn1C,C67287226_decoy,GLCM,Decoy,0,-7.37519,-8.27,-1.43,-12.02586142181117
CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N2C[C@@H](C)OC(C)(C)C2)c1,C67469419_decoy,GLCM,Decoy,0,-6.81534,-5.96,-1.97,-4.630593398016566
C[NH+]1CCC(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1,C02803377_decoy,GLCM,Decoy,0,-8.19794,-5.46,-0.92,-6.352082648581777
Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1)OCO2,C05253764_decoy,GLCM,Decoy,0,-7.77821,-6.54,-3.88,-4.995533308760991
CC1CC[NH+](CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1,C09950987_decoy,GLCM,Decoy,0,-6.44367,-6.58,-0.38,-5.514567160343732
O=C(C[NH+]1CCc2sccc2C1)Nc1ccnn1C1CCCC1,C10341928_decoy,GLCM,Decoy,0,-9.00168,-7.08,-0.87,-7.8037881532503235
c1cncc(C[NH+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c1,C12438964_decoy,GLCM,Decoy,0,-7.30504,-6.91,-2.77,-6.077298858626305
CCc1cc(=O)oc2c(C)c3c(cc12)C[NH+](C(C)(C)CO)CO3,C13624636_decoy,GLCM,Decoy,0,-7.65916,-8.23,-1.92,-8.850996150764988
CCn1nc(C(=O)NC)c2c1CC[C@H]([NH+]1CCCCCCC1)C2,C14744028_decoy,GLCM,Decoy,0,-6.80467,-5.03,-0.7,-4.1389201209964
Cc1ccc(-c2cc([C@@H]3CC[NH+](Cc4cnn(C)c4)C3)[nH]n2)cc1,C19212136_decoy,GLCM,Decoy,0,-7.59032,-7.51,-0.94,-7.816894743052142
Cc1ncc2c(c1-c1noc(CCc3cccs3)n1)CC[NH2+]C2,C19221537_decoy,GLCM,Decoy,0,-8.7325,-6.91,-0.79,-9.23085087887805
c1cc2c(cc1OCc1noc(C3CC[NH2+]CC3)n1)CCCC2,C19786414_decoy,GLCM,Decoy,0,-7.72917,-6.64,-1.5,-6.132006127383787
c1cnc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)ccc2n1,C21635811_decoy,GLCM,Decoy,0,-7.32256,-6.62,-1.45,-6.471517987860734
C[C@H]1CCCC[C@@]12NC(=O)N(C[NH+](C1CCCC1)C1CC1)C2=O,C24656417_decoy,GLCM,Decoy,0,-7.05933,-6.99,-0.11,-4.583461667735191
CSc1[nH]c(=O)n(-c2c(Cl)cccc2Cl)c(=O)[nH+]1,C34064778_decoy,GLCM,Decoy,0,-7.89581,-5.73,-2.01,-4.128689603754235
O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[NH+]3CCC2CC3)c1,C35368131_decoy,GLCM,Decoy,0,-6.57337,-6.59,-1.26,-6.490318076464325
O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[NH+]3CCC2CC3)c1,C35368132_decoy,GLCM,Decoy,0,-7.3406,-5.75,-1.12,-5.270722938178085
COc1ccc(S(=O)(=O)N2[C@H](C)C[C@H]3C[NH2+]C[C@@H]32)cc1F,C36266258_decoy,GLCM,Decoy,0,-6.99927,-5.96,-1.03,-4.477469876047072
C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)N(C)C1CCCCC1,C36266300_decoy,GLCM,Decoy,0,-7.79425,-5.76,-1.17,-6.849443414902927
N#Cc1nc(/C=C/c2ccccc2Cl)oc1N1CC[NH2+]CC1,C36628855_decoy,GLCM,Decoy,0,-7.33212,-7.42,-1.32,-6.572609589246449
O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[NH+]3CCCC[C@H]23)c1,C36996703_decoy,GLCM,Decoy,0,-7.17565,-6.62,-1.8,-6.153484749204284
CC1(C)CC(=O)C2=C(C1)NC[NH+](Cc1ccc3c(c1)OCO3)C2,C19329536_decoy,GLCM,Decoy,0,-7.41962,-6.66,-2.48,-5.170472047153727
C[NH+]1[C@@H]2CC[C@H]1CC(CNc1cccc(F)c1[N+](=O)[O-])C2,C38019283_decoy,GLCM,Decoy,0,-6.49113,-7.3,-1.38,-4.764170990090536
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[NH+]1CCCCC1)C2=O,C40001500_decoy,GLCM,Decoy,0,-6.58405,-8.12,-1.08,-6.541089037763843
CC1CC[NH+](CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1,C40001537_decoy,GLCM,Decoy,0,-6.88076,-5.91,-1.8,-3.895014227495774
C[C@H](Nc1ccnc(-n2ccc3cc[nH+]cc32)n1)c1ccccc1,C40584559_decoy,GLCM,Decoy,0,-5.08651,-6.22,-2.59,-4.882413234502174
c1cc2c(cc1OCc1nc(C3CC[NH2+]CC3)no1)CCCC2,C41566197_decoy,GLCM,Decoy,0,-7.89882,-6.71,-0.4,-6.806860753223284
N#Cc1c(Cl)nsc1NCCc1cn2ccccc2[nH+]1,C48235534_decoy,GLCM,Decoy,0,-5.25818,-7.72,-2.07,-6.249722122945739
C[NH+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]ncc3c2)cn1,C49036243_decoy,GLCM,Decoy,0,-7.16872,-7.75,-0.76,-8.81975644194027
Cc1ccc(/C=C2\Oc3c(ccc(O)c3C[NH+]3CCCC3)C2=O)o1,C13817152_decoy,GLCM,Decoy,0,-7.18271,-6.12,-3.78,-5.36464142771618
COc1ccc(NCc2cc(=O)n3c(C)csc3[nH+]2)cc1,C57568949_decoy,GLCM,Decoy,0,-6.79924,-5.53,-1.68,-5.871691202578828
CC(C)Cc1nc2cc3c(cc2n1CC1CC[NH2+]CC1)OCCO3,C57865649_decoy,GLCM,Decoy,0,-7.56557,-7.22,-1.36,-5.187641847490426
c1c2c(cc3c1nc(C1CC1)n3CC[C@@H]1CCCC[NH2+]1)OCO2,C57866697_decoy,GLCM,Decoy,0,-8.02348,-6.43,-2.0,-6.581094627656438
CC(C)c1nc2cc3c(cc2n1CC[C@@H]1CCCC[NH2+]1)OCCO3,C57866718_decoy,GLCM,Decoy,0,-7.34512,-7.25,-1.09,-6.82699371566532
COc1ccc([C@@H]2C=C(c3ccccc3)[NH+]=C3NC(C)=NN32)cc1,C13570393_decoy,GLCM,Decoy,0,-6.16595,-6.42,-3.38,-7.030769225830153
COc1cccc(/C=[NH+]/[C@H](C)c2ccc3c(c2)OCCO3)c1O,C05289297_decoy,GLCM,Decoy,0,-7.56968,-8.66,-2.17,-10.522631873044444
Cc1ccc2c(c1)=C(c1ccncc1)NN=C(c1cccnc1)[NH+]=2,C06533904_decoy,GLCM,Decoy,0,-7.8207,-6.53,-1.11,-5.942877015185637
COc1cccc([C@H]2C[C@@H](c3ccccc3)N3NC=[NH+]C3=N2)c1,C13132244_decoy,GLCM,Decoy,0,-6.40256,-7.89,-1.43,-7.983585108446546
O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1,C63201195_decoy,GLCM,Decoy,0,-6.89498,-6.87,-1.18,-6.165473624566781
O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1,C63201198_decoy,GLCM,Decoy,0,-6.73214,-7.45,-1.17,-5.874115753406992
CC(C)(C)c1cn2nc(N[C@@H]3CC[NH+](C4CC4)C3)sc2n1,C63255113_decoy,GLCM,Decoy,0,-7.55872,-7.02,-1.82,-8.966550685250864
CC(C)Cc1nnc2n1N[C@@H]([C@H]1C=c3ccccc3=[NH+]1)S2,C63280688_decoy,GLCM,Decoy,0,-6.74635,-6.1,-1.08,-4.704228065890014
O=C1N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)N1c1ccccc1,C63350040_decoy,GLCM,Decoy,0,-5.99512,-8.18,-2.07,-4.857397050277917
Cc1nc(C2([NH2+]Cc3nc4ccccc4s3)CCCC2)no1,C63511263_decoy,GLCM,Decoy,0,-7.05617,-6.23,-1.96,-4.717159525060394
O=C(OC[C@H]1Nc2ccccc2O1)C1=c2ccccc2=[NH+]C1,C64050478_decoy,GLCM,Decoy,0,-5.10026,-7.59,-1.12,-4.321443867504349
COc1ccccc1/C=N/NC(=O)C1=c2ccccc2=[NH+]C1,C64230932_decoy,GLCM,Decoy,0,-6.3013,-6.64,-0.69,-5.281114378494024
COc1ccc2/c(=[NH+]/N=C/c3ccncc3)cc(C)[nH]c2c1,C45301261_decoy,GLCM,Decoy,0,-6.4892,-8.41,-1.45,-6.1160588838077885
CCOc1ccc2[nH]c(C)c/c(=[NH+]/N=C/c3cccnc3)c2c1,C45302079_decoy,GLCM,Decoy,0,-5.89065,-6.56,-3.59,-4.198026249107263
Cc1cccc(Cn2c(CC3=c4ccccc4=[NH+]C3)n[nH]c2=O)c1,C65383398_decoy,GLCM,Decoy,0,-6.44503,-7.35,-3.34,-6.650163092088016
c1ccc(-c2cnc(C[NH+]3CCC(c4cc[nH]n4)CC3)o2)cc1,C58226012_decoy,GLCM,Decoy,0,-6.5477,-6.8,-1.67,-4.461543692079599
Fc1ccc(-c2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)co2)cc1,C58267385_decoy,GLCM,Decoy,0,-6.58878,-7.26,-3.2,-6.962724826562708
O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CCC1=c2ccccc2=[NH+]C1,C65425271_decoy,GLCM,Decoy,0,-5.46819,-7.53,-0.9,-5.8998530533683065
Oc1c([C@H](c2ccccc2Cl)[NH+]2CCCCC2)ccc2cccnc12,C00723908_decoy,GLCM,Decoy,0,-7.13157,-8.02,-1.74,-7.635668432707989
CC(C)[NH2+]CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1,C04185459_decoy,GLCM,Decoy,0,-7.13471,-6.07,-0.91,-5.888774735214623
CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1C=C(c3ccccc3Cl)NN12,C01827776_decoy,GLCM,Decoy,0,-7.66456,-8.12,-1.78,-6.633237739479192
c1csc(-c2nc(N[C@H]3C[NH+]4CCC3CC4)c3c4c(sc3n2)CCC4)c1,C06550550_decoy,GLCM,Decoy,0,-9.35522,-7.1,-1.72,-7.227770843494461
C[NH2+]CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21,C00259200_decoy,GLCM,Decoy,0,-4.80938,-6.66,-2.52,-5.22800242523239
Cc1cc2oc(=O)cc(C[NH2+][C@H](C)c3ccc(Cl)cc3Cl)c2cc1Cl,C07267656_decoy,GLCM,Decoy,0,-8.24201,-6.0,-3.22,-6.186648667921883
Oc1cc2c(cc1[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)OCO2,C05763598_decoy,GLCM,Decoy,0,-7.62706,-6.54,-1.37,-6.783021445771146
C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1,C12383356_decoy,GLCM,Decoy,0,-7.58857,-6.74,-1.93,-7.052518656969644
Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)cnn1-c1ccc(F)cc1F,C12748027_decoy,GLCM,Decoy,0,-6.74614,-6.38,-3.64,-5.392592466602943
C[C@@H]([NH2+]Cc1coc(-c2ccc(Cl)cc2)n1)c1cccc(F)c1,C12799094_decoy,GLCM,Decoy,0,-6.51446,-8.29,-2.55,-7.563831616821513
O=c1[nH]c(C[NH+]2CCCCCC2)nc2scc(-c3ccccc3Cl)c12,C07002129_decoy,GLCM,Decoy,0,-9.17328,-8.14,-1.33,-9.23264673611536
Oc1cc(-c2cccs2)cc2c1OCC[NH+](C[C@H]1CC=CCC1)C2,C14992031_decoy,GLCM,Decoy,0,-8.8133,-6.19,-1.38,-5.8706664949515845
COc1ccc2c(c1)C(c1ccccc1)=N[NH+]=C(c1ccc(C)cc1)N2,C06076805_decoy,GLCM,Decoy,0,-7.58685,-6.75,-2.52,-4.9762086050771
Clc1cc(Br)ccc1-c1ccc(CN[C@@H]2C[NH+]3CCC2CC3)o1,C20477431_decoy,GLCM,Decoy,0,-8.32456,-7.19,-1.36,-8.148338502607377
Clc1ccccc1Cn1cc(CN[C@@H]2C[NH+]3CCC2CC3)c2ccccc21,C20477479_decoy,GLCM,Decoy,0,-8.84599,-7.15,-1.06,-6.905826627423671
COc1cccc([C@H]2[NH2+]Cc3c(sc4c3CCCC4)-n3cccc32)c1,C20864921_decoy,GLCM,Decoy,0,-6.99225,-5.93,-0.03,-4.050846436834871
Cc1ccc(C2=C[C@@H](c3cccs3)N3C(=[NH+]2)Nc2ccccc23)cc1,C05285901_decoy,GLCM,Decoy,0,-6.73995,-6.21,-2.9,-5.084450020866872
FC(F)(F)c1cccc([C@@H]2C[NH2+]C[C@H]2CN2CCN(c3ccccc3)CC2)c1,C34697118_decoy,GLCM,Decoy,0,-7.12886,-7.23,-2.86,-5.100896414957669
FC(F)(F)c1cccc([C@@H]2C[NH2+]C[C@@H]2CN2CCN(c3ccccc3)CC2)c1,C34697120_decoy,GLCM,Decoy,0,-7.15973,-6.57,-3.94,-5.611885295355562
CCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccc(Br)s1,C35580975_decoy,GLCM,Decoy,0,-8.41351,-6.05,-1.24,-5.41781276636699
Cc1ccn2c(Nc3cccc(Cl)c3)c(-c3ccc(C)o3)[nH+]c2c1,C35616218_decoy,GLCM,Decoy,0,-6.77204,-6.99,-2.15,-6.039906315219331
CC1=NO[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH+](C)C1(C)C,C35622332_decoy,GLCM,Decoy,0,-7.5329,-7.18,-3.53,-6.124336581978861
Oc1ccccc1C[NH+]1CCCn2cccc2[C@@H]1c1ccc(F)c(F)c1,C35792206_decoy,GLCM,Decoy,0,-5.07256,-6.34,-1.83,-4.893312359242491
C[C@H]([NH2+][C@H](C)c1cccc(Br)c1)c1ccc2c(c1)OCO2,C36919957_decoy,GLCM,Decoy,0,-6.60986,-5.45,-3.67,-4.853910835479772
C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1cc(Br)ccc1N(C)C,C37139571_decoy,GLCM,Decoy,0,-6.91043,-4.65,-1.16,-4.09452898485961
C[C@H]([NH2+][C@H](C)c1ccc(I)cc1)c1ccc2c(c1)OCO2,C37283454_decoy,GLCM,Decoy,0,-7.76872,-5.85,-2.88,-6.134205712358563
Brc1cc(C[NH2+]CCC2=CCCCC2)cc2c1OCO2,C37301112_decoy,GLCM,Decoy,0,-7.91565,-7.51,-1.72,-9.85525729298756
Cc1ccc(O)c(C[NH+]2CCCn3cccc3[C@H]2c2cccc(F)c2F)c1,C37522498_decoy,GLCM,Decoy,0,-7.14019,-6.35,-1.97,-3.85443049324663
Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCCC[C@@H]2C)CCCC1,C04169094_decoy,GLCM,Decoy,0,-7.21646,-7.49,-4.6,-7.270189906698121
FC(F)(F)c1ccc(N2NC(c3cc4ccccc4o3)=C3CCCC[NH+]=C32)cc1,C03697413_decoy,GLCM,Decoy,0,-6.23861,-5.91,-2.06,-4.551689757274437
O=C1N/C(=N/c2cc(Cl)cc(Cl)c2)S/C1=C/C1=c2ccccc2=[NH+]C1,C39984761_decoy,GLCM,Decoy,0,-4.17709,-7.52,-1.55,-3.916932452314885
Cc1nn(-c2ccccc2Cl)c(Cl)c1C[NH2+]Cc1cccc(F)c1,C40086363_decoy,GLCM,Decoy,0,-7.24808,-8.25,-1.29,-5.871349958143289
C[C@H]([NH2+]Cc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl,C45772546_decoy,GLCM,Decoy,0,-7.40083,-8.29,-2.57,-9.613207407952508
Clc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21,C05459130_decoy,GLCM,Decoy,0,-5.92918,-5.9,-3.57,-4.217452410609904
Fc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3c([nH+]c4ccccc43)N2)cc1,C05461525_decoy,GLCM,Decoy,0,-7.82435,-7.15,-2.56,-5.964216811651077
CC(C)(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2Br)nc1,C51545806_decoy,GLCM,Decoy,0,-7.01013,-7.05,-1.67,-5.466612924408149
C[NH2+]Cc1cc(Br)cnc1Oc1c(C)ccc(C)c1C,C51570744_decoy,GLCM,Decoy,0,-6.49573,-5.69,-2.54,-6.335669764820112
Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1,C20785631_decoy,GLCM,Decoy,0,-6.5012,-7.0,-3.54,-5.307666646663349
C[NH+]1CCCC[C@H]1CNc1cc(Cl)c(OC(F)F)c(Cl)c1,C54243039_decoy,GLCM,Decoy,0,-7.66005,-6.94,-1.19,-14.61804583131982
CCC[NH2+][C@@H](C)c1ccc(-n2nc(C)c(C)c2C)c(Br)c1,C61698435_decoy,GLCM,Decoy,0,-7.14102,-7.07,-0.69,-9.447677990820251
CN(C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1,C62529072_decoy,GLCM,Decoy,0,-7.72733,-5.5,-1.59,-5.39792108882655
Cc1cc(O)c(C[NH+]2CCCC2)c2c1C(=O)/C(=C/c1ccc(C(C)C)cc1)O2,C41513342_decoy,GLCM,Decoy,0,-7.69388,-6.43,-1.23,-5.71308237833925
CSc1ccc(Cl)c(C(=O)NCc2ccc3c(c2)=C2CCCC[C@@H]2[NH+]=3)c1,C63312505_decoy,GLCM,Decoy,0,-7.60948,-8.02,-2.39,-6.418592965067735
Cc1ccc2c(c1)=C1CCN[C@@]3(C(=O)N(CCC(C)C)c4ccccc43)[C@@H]1[NH+]=2,C63385229_decoy,GLCM,Decoy,0,-6.3501,-6.45,-1.21,-4.042295881589054
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)N[C@@H]2[C@H]1C=c2ccccc2=[NH+]1,C63428661_decoy,GLCM,Decoy,0,-6.51477,-8.5,-5.15,-3.907898128499671
Cc1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3CCN2C(=O)NCCC(C)C)cc1,C63571691_decoy,GLCM,Decoy,0,-6.0767,-6.15,-4.91,-4.870238629322157
CC1(C)CC(=O)C[C@@]2(C1)NC[C@@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@H]12,C63780602_decoy,GLCM,Decoy,0,-7.82243,-7.94,-0.09,-4.296692330445753
C=C(C)CN/N=C1\CC(C)(C)CC2=C1[C@@H]1[NH+]=c3ccccc3=C1C(CC)=N2,C63818468_decoy,GLCM,Decoy,0,-8.16572,-6.07,-3.41,-6.752935102500784
O=C(C[NH+]1CC2C[C@@H]3CC1C[C@H](C2)C3)Nc1c(F)cc(F)cc1Br,C65967893_decoy,GLCM,Decoy,0,-8.31089,-8.73,-2.27,-6.24412977041837
Brc1ccc(C2([NH2+]Cc3ncc(-c4cccs4)o3)CC2)cc1,C67378883_decoy,GLCM,Decoy,0,-8.05021,-5.81,-1.04,-5.560273053710693
CCNc1nc(SCc2ccc(Cl)cc2)nc2sc3c(c12)CC[NH+](C)C3,C04335572_decoy,GLCM,Decoy,0,-10.2829,-7.84,-2.16,-8.30819588799554
Cc1[nH]c(SCc2c(Cl)cccc2Cl)nc(=O)c1C[NH+]1CCCCC1,C04957405_decoy,GLCM,Decoy,0,-7.44826,-7.37,-2.39,-5.53111893217742
COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[NH+]2Cc2ccccc2F)c(OC)c1,C02405714_decoy,GLCM,Decoy,0,-7.20487,-5.74,-3.57,-6.347965358851258
C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)[NH+]1CC=C(c2ccccc2)CC1,C03381148_decoy,GLCM,Decoy,0,-7.05929,-7.37,-3.74,-8.150673590771454
Cc1ccc2nc(-n3cccc3C[NH2+][C@H](C)c3ccccc3)sc2c1,C06302163_decoy,GLCM,Decoy,0,-6.14661,-6.57,-2.45,-6.548215682764727
O=C(Nc1ccccc1Cl)N1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1,C06343738_decoy,GLCM,Decoy,0,-7.10006,-8.22,-3.92,-8.8668369398162
Cc1ccc(-c2c(C)sc3nc(C[NH+]4C[C@H](C)C[C@H](C)C4)[nH]c(=O)c23)cc1,C07002880_decoy,GLCM,Decoy,0,-7.81905,-7.48,-2.47,-7.357359464895179
Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)o1,C07539040_decoy,GLCM,Decoy,0,-6.5735,-8.61,-1.83,-8.210051736826705
Cc1cc(O)c(C[NH+](C)[C@H](C)c2nc3ccccc3s2)cc1C(C)C,C08149065_decoy,GLCM,Decoy,0,-7.08062,-6.12,-2.93,-4.482344795370505
Fc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CC[NH+]1Cc1ccco1,C11880123_decoy,GLCM,Decoy,0,-6.14403,-4.96,-1.37,-3.3033391093344737
Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cnn1-c1cccc2ccccc12,C12430535_decoy,GLCM,Decoy,0,-8.22279,-9.54,-5.08,-8.419749783076576
OC1(c2ccc3c(c2)c2c4n3CC[NH+](Cc3ccccc3)[C@H]4CCC2)CCCCC1,C05741023_decoy,GLCM,Decoy,0,-8.73986,-8.4,-1.05,-6.636076538005202
Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2O)[NH+]2CCCC2)cc1,C05812685_decoy,GLCM,Decoy,0,-7.14197,-5.73,-1.82,-4.253112290626794
COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+][C@H]2CCOC(C)(C)C2)c1,C12152685_decoy,GLCM,Decoy,0,-7.10873,-8.1,-2.0,-7.638100014021583
Cc1oc(-c2cccs2)nc1C[NH+]1CCC[C@H](Nc2ccccc2)C1,C12319671_decoy,GLCM,Decoy,0,-8.06752,-7.13,-3.04,-6.400210758958762
C[C@@]12CC[C@H]3[C@@H]4C[C@@H](C[NH+]5CCCCC5)C(=O)[C@]4(C)CC[C@@H]3[C@]1(C)CC[C@H](O)C2,C13401181_decoy,GLCM,Decoy,0,-9.2196,-7.86,-1.28,-8.09373603306794
COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[NH+]2Cc2ccccc2F)c(OC)c1,C13759143_decoy,GLCM,Decoy,0,-7.70586,-6.66,-1.38,-7.021081192545215
CC1CC[NH+](Cc2c3occ(-c4ccc(Cl)cc4)c(O)c-3ccc2=O)CC1,C05903679_decoy,GLCM,Decoy,0,-8.28421,-6.96,-1.46,-8.576889952138027
CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH+]ccn2CC)cc1,C19866851_decoy,GLCM,Decoy,0,-7.78189,-8.17,-1.01,-7.766693077397202
Cc1cc(C(=O)/N=c2\[nH]c3c(s2)C[NH+](Cc2ccccc2)CC3)sc1C,C21529313_decoy,GLCM,Decoy,0,-9.5858,-6.06,-1.69,-5.856135920908215
COc1ccc(-c2cs/c(=[NH+]\c3cccc(C)c3C)n2CCO)cc1,C22855453_decoy,GLCM,Decoy,0,-8.02105,-5.57,-1.65,-4.665920618005031
c1cc(-c2cnco2)cc(N2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)c1,C23312289_decoy,GLCM,Decoy,0,-8.39645,-9.08,-2.94,-7.039511807610839
C[NH+](Cn1nc(NC2CCCCC2)sc1=S)[C@@H]1CCCc2ccccc21,C23611981_decoy,GLCM,Decoy,0,-8.75378,-6.7,-1.54,-5.850839602613792
Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)oc2c1,C27794529_decoy,GLCM,Decoy,0,-7.53471,-8.17,-0.62,-7.577372921334314
CCOc1ccc(C2=C(C)SC(/[NH+]=C3\C[C@H]4CC[C@]3(C)C4(C)C)=NN2)cc1,C04158554_decoy,GLCM,Decoy,0,-7.18053,-7.22,-2.76,-4.799516734622886
CCC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C,C35007170_decoy,GLCM,Decoy,0,-6.6438,-7.33,-2.54,-5.298121361313242
Clc1ccc(Cl)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1Cl,C35054882_decoy,GLCM,Decoy,0,-7.70992,-6.58,-1.72,-6.623778986244478
Fc1ccc(N2CCN(C[C@H]3C[NH2+]C[C@H]3c3cccc(C(F)(F)F)c3)CC2)cc1,C35884788_decoy,GLCM,Decoy,0,-7.22006,-6.86,-3.5,-5.775469963070463
C[NH+](Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)C1CCCCC1,C36203765_decoy,GLCM,Decoy,0,-8.12048,-7.14,-1.24,-8.401179624962518
Oc1ccccc1C[NH+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1,C36347906_decoy,GLCM,Decoy,0,-5.83251,-7.89,-2.42,-8.275979485517404
Cc1ccc(C2=NC(C(=O)NCCC3=CCCCC3)=CC3=c4ccccc4=[NH+][C@@H]23)cc1,C39024390_decoy,GLCM,Decoy,0,-7.79694,-8.68,-2.8,-6.877867465616049
COc1cccc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cccc(C#N)c2)c1,C39228577_decoy,GLCM,Decoy,0,-7.91372,-7.25,-4.19,-6.50487385669304
CN1[C@@H](SCc2c[nH]c3ccccc23)N=[NH+][C@H]1c1ccc(Cl)cc1Cl,C39411730_decoy,GLCM,Decoy,0,-7.30373,-7.42,-2.5,-7.905062410066525
Cc1ccc(N2C(=O)c3ccccc3N[C@H]2/C=C/C2=c3ccccc3=[NH+][C@@H]2C)cc1,C39702779_decoy,GLCM,Decoy,0,-7.10972,-9.39,-1.69,-10.708639055605882
Cc1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2cccc(Cl)c2)c(Br)c1,C08532171_decoy,GLCM,Decoy,0,-6.47143,-7.48,-1.76,-4.891863289005492
CCC[NH2+][C@H](C)c1sc(-c2cc(Br)c(Br)o2)nc1C,C50359175_decoy,GLCM,Decoy,0,-8.11495,-4.68,-1.3,-5.462754942633175
C[NH2+]Cc1cc(Br)cnc1Oc1cc(C)ccc1C(C)C,C51546837_decoy,GLCM,Decoy,0,-7.16554,-4.78,-3.29,-4.511380222803258
COc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3[nH+]c4ccccc4n32)c1,C13810867_decoy,GLCM,Decoy,0,-6.34413,-5.9,-1.32,-5.0826211056886255
C[NH2+][C@@H](C)c1ccc(N(C)c2ccc(OC)cc2)c(Br)c1,C61698093_decoy,GLCM,Decoy,0,-7.59763,-6.63,-5.03,-6.158295878640354
Clc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21,C13810847_decoy,GLCM,Decoy,0,-6.70376,-6.86,-2.22,-5.193906375792184
CC(C)(C)c1ccc(-c2cc(O)c3cc/c(=[NH+]\C(=O)C4CC4)cc-3o2)cc1,C41291194_decoy,GLCM,Decoy,0,-7.77913,-8.97,-0.93,-8.369829224107825
C[C@@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C/c2ccc(C(C)(C)C)cc2)C3=O)C1,C41512476_decoy,GLCM,Decoy,0,-8.49803,-8.44,-1.88,-9.231730795975883
Cc1cc(O)c(C[NH+](C)Cc2ccccc2)c2c1C(=O)/C(=C/c1ccccc1F)O2,C41514515_decoy,GLCM,Decoy,0,-7.74631,-6.9,-1.33,-5.174433019910396
Cc1cc(O)c(C[NH+]2C[C@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C\c1cccc(Cl)c1)O2,C41583636_decoy,GLCM,Decoy,0,-9.21185,-9.49,-4.24,-9.338942850678633
Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCC1=c2ccccc2=[NH+]C1,C63294660_decoy,GLCM,Decoy,0,-8.02898,-7.12,-2.66,-7.024636814207059
CC(C)CNC(=O)N1CCC2=c3ccccc3=[NH+][C@H]2[C@@H]1c1ccccc1F,C63491692_decoy,GLCM,Decoy,0,-7.16888,-6.12,-3.51,-5.524945885068235
CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(Cl)c2Cl)CC1,C45463734_decoy,GLCM,Decoy,0,-7.63256,-6.99,-3.91,-8.80731941279331
Cc1ccc(-c2ccc(=O)n(C[NH2+]C3(c4ccc(F)cc4)CCCC3)n2)s1,C66077410_decoy,GLCM,Decoy,0,-7.73141,-8.59,-3.82,-5.997895746250595
CC(C)(C)c1ccc(=O)n(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)n1,C66793374_decoy,GLCM,Decoy,0,-7.98673,-7.03,-5.64,-6.128044611292489
Fc1ccc(-c2nc(C[NH+]3CCC(Nc4ccccc4)CC3)co2)cc1F,C67117160_decoy,GLCM,Decoy,0,-8.46386,-6.81,-2.39,-5.401757289979527
[H]/N=C1\C(C#N)C2=CC[NH+](C(C)C)C[C@@H]2[C@H](c2ccc(OC)c3ccccc23)C1(C#N)C#N,C04453512_decoy,GLCM,Decoy,0,-8.13206,-6.0,-3.49,-6.323383382124495
CCOC(=O)N1CCC([NH2+][C@H]2C(C)=C(C)C(=O)N2[C@@H]2CCCc3ccccc32)CC1,C04671945_decoy,GLCM,Decoy,0,-8.28312,-6.58,-2.05,-6.2246384004298605
CCC[NH+]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1,C02403778_decoy,GLCM,Decoy,0,-7.30598,-8.32,-1.66,-5.757350206043944
C=C(NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccc([N+](=O)[O-])c1,C01882960_decoy,GLCM,Decoy,0,-7.0265,-9.55,-1.64,-11.345560426131444
O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2C[NH+](CC2CCCCC2)C1,C03841484_decoy,GLCM,Decoy,0,-9.04151,6.26,-2.38,-1.0580135531330996
c1cc2c(cc1CNc1nc(C[NH+]3CCCCC3)nc3sc4c(c13)CCC4)OCO2,C03343587_decoy,GLCM,Decoy,0,-8.15591,-6.24,-1.3,-4.778162710199888
CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1,C10060188_decoy,GLCM,Decoy,0,-7.64548,-7.85,-1.57,-5.9632842878320655
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2CCC[C@H]2c2ccccc2)cc1,C10340904_decoy,GLCM,Decoy,0,-8.3162,-6.35,-1.6,-6.810853604925528
Cc1ccc(C[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)cc1F,C11818816_decoy,GLCM,Decoy,0,-7.83011,-6.68,-2.26,-5.207383759815672
Clc1ccc(-n2cccc2C[NH+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)nc1,C11936984_decoy,GLCM,Decoy,0,-8.23219,-8.29,-2.0,-7.976920162312003
C[NH+](CCOc1ccc(Cl)cc1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2,C12692369_decoy,GLCM,Decoy,0,-6.42757,-7.7,-2.35,-5.065403011682589
CC(C)n1cc([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cnc(N3CCCC3)s2)cn1,C12836581_decoy,GLCM,Decoy,0,-8.92648,-7.42,-1.58,-7.826923198715816
Cc1cccc(-c2nnc([C@H](C)[NH+](C)CC(=O)Nc3c(Cl)cccc3Cl)o2)c1,C12850068_decoy,GLCM,Decoy,0,-7.37221,-8.12,-4.38,-5.494190054179635
COC(=O)[C@@]1(c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21,C08781469_decoy,GLCM,Decoy,0,-7.41394,-5.95,-4.41,-5.6162106160160326
COc1ccc(C[NH+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1,C15674138_decoy,GLCM,Decoy,0,-6.64258,-8.15,-2.67,-6.794140952536693
CCOC(=O)[C@@H]1CCC[NH+](Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C1,C16482566_decoy,GLCM,Decoy,0,-9.45796,-8.31,-1.63,-10.116264268260837
C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1,C22785852_decoy,GLCM,Decoy,0,-7.98147,-7.12,-2.83,-5.76468100637214
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@H]1CCC[NH+](Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1,C31054726_decoy,GLCM,Decoy,0,-9.21264,-7.54,-4.27,-7.712538999776038
CS(=O)(=O)c1ccc2nc(/[NH+]=c3/cc(-c4ccccc4)oc4ccc(O)cc34)sc2c1,C01972122_decoy,GLCM,Decoy,0,-9.20888,-6.67,-2.33,-6.259246908256732
Cc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(C2CC[NH+](Cc4ccccc4)CC2)C3)c(C)c1,C33597758_decoy,GLCM,Decoy,0,-7.4562,-6.31,-3.78,-5.481117666336722
O=C(C[NH+]1CCCCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br,C35324100_decoy,GLCM,Decoy,0,-7.19365,-5.64,-1.13,-6.733308744302214
CN1C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C2=C1CN(C1CC[NH+](Cc3ccccc3)CC1)C2=O,C35492897_decoy,GLCM,Decoy,0,-7.45217,-7.04,-3.65,-5.906236971770013
CCc1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1,C35671552_decoy,GLCM,Decoy,0,-11.3927,-6.13,-0.82,-9.164414525793092
COC(=O)[C@H]1[NH+]=c2cc(OC)ccc2=C1NC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2,C39011895_decoy,GLCM,Decoy,0,-7.63017,-7.8,-2.52,-8.661548800941167
COc1ccc([C@H]2CC([C@@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2)cc1OC,C39359615_decoy,GLCM,Decoy,0,-7.18122,-7.07,-3.28,-5.537241492461955
CC(C)CN1[C@@H](S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)N=[NH+][C@@H]1c1ccccc1F,C39431104_decoy,GLCM,Decoy,0,-7.81233,-8.04,-1.91,-5.55936736755326
C[C@H](S[C@@H]1N=[NH+][C@H](c2ccc(F)cc2)N1c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1,C39431156_decoy,GLCM,Decoy,0,-6.68691,-9.67,-3.23,-5.799023093549849
COc1ccc([C@H]2CC([C@@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2)c(OC)c1,C39700724_decoy,GLCM,Decoy,0,-7.55661,-8.46,-2.26,-7.085895114234353
O=C(CSC1=N[C@H]2[NH+]=c3ccc(F)cc3=C2N=N1)Nc1ccccc1-c1ccccc1,C39708098_decoy,GLCM,Decoy,0,-6.79319,-7.75,-3.29,-5.190797982671867
O=C(NC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1)c1cc(F)cc(F)c1,C40959143_decoy,GLCM,Decoy,0,-8.19031,-7.06,-3.27,-6.973706187341761
CC[NH+](Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C[C@H]1COc2ccccc2O1,C31173546_decoy,GLCM,Decoy,0,-8.01926,-6.6,-4.01,-7.042097334403725
CCn1cc(/C=C2\Oc3c(C[NH+]4CCCC[C@H]4C)c(O)cc(C)c3C2=O)c2cc(OC)ccc21,C41511564_decoy,GLCM,Decoy,0,-8.47825,-7.88,-2.38,-7.796438315557414
Cc1cc(O)c(C[NH+]2CCC[C@H](C)C2)c2c1C(=O)/C(=C\c1cc(Cl)cc3c1OCOC3)O2,C41512318_decoy,GLCM,Decoy,0,-8.45987,-6.78,-2.49,-5.176699465930909
Cc1cc(O)c(C[NH+]2CCCCCC2)c2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2,C41514342_decoy,GLCM,Decoy,0,-9.17296,-7.74,-2.9,-7.329492413780518
COc1ccc(OC)c(/C=C2/Oc3c(C[NH+]4C[C@H](C)C[C@@H](C)C4)c(O)cc(C)c3C2=O)c1,C41515208_decoy,GLCM,Decoy,0,-8.11617,-9.4,-2.77,-8.257216276298823
COc1ccc(N2CC[NH+](Cc3c(O)cc(C)c4c3O/C(=C\c3cccc(F)c3)C4=O)CC2)cc1,C41585701_decoy,GLCM,Decoy,0,-8.19432,-7.4,-4.24,-6.378617277516046
CCOC(=O)[C@@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C\c2ccccc2F)C3=O)C1,C41586445_decoy,GLCM,Decoy,0,-7.4542,-9.85,-2.19,-6.367636599178767
CCOC(=O)[C@@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C\c2cccc(C)c2)C3=O)C1,C41586495_decoy,GLCM,Decoy,0,-7.22399,-7.65,-2.24,-5.189195838688758
COc1cc2c(cc1Cl)[C@H](C)[C@@H](CC(=O)NCCC1=c3ccccc3=[NH+]C1)C(=O)O2,C63376051_decoy,GLCM,Decoy,0,-8.04988,-7.56,-2.93,-5.51274875995803
Cc1cc(C(=O)NCCC2=c3ccccc3=[NH+]C2)c2c(C)nn(-c3ccccc3Cl)c2n1,C63486284_decoy,GLCM,Decoy,0,-7.55159,-7.87,-1.97,-6.097282228168632
Cc1ccc(CS[C@H]2Nc3nccnc3C(=O)N2CCC2=c3ccccc3=[NH+]C2)cc1,C63541287_decoy,GLCM,Decoy,0,-8.99957,-7.8,-3.54,-7.644964392665761
COc1ccc2c(c1)=C1CCN(C(=O)NCc3ccco3)[C@H](c3ccc(C)cc3)[C@@H]1[NH+]=2,C63573570_decoy,GLCM,Decoy,0,-7.54987,-6.75,-3.09,-5.576249570486176
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@@H]1Nc1ccc(F)cc1)c1ccc(F)cc1,C38965351_decoy,GLCM,Decoy,0,-6.49646,-8.85,-3.83,-7.506656785052265
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1NCCC1=CCCCC1)c1ccc(F)cc1,C38966521_decoy,GLCM,Decoy,0,-6.82476,-9.2,-3.85,-6.198938400677297
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1,C38975024_decoy,GLCM,Decoy,0,-7.42257,-8.73,-4.0,-7.552190551381062
Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+]=C3C3=C(O)/C(=C\c4ccc(Cl)cc4)CC3)C2=O)cc1,C21670328_decoy,GLCM,Decoy,0,-8.34003,-7.2,-3.11,-6.654146669895765
CC1=C(/C=N/N2C(=S)[NH+]=N[C@H]2c2ccccc2Br)[C@H](C)N(c2ccccc2)N1,C38995135_decoy,GLCM,Decoy,0,-8.27093,-7.21,-2.5,-5.395618829179029
Cc1ccc(CC(=O)N(C)CCC2=NO[C@@H]([C@H]3C=c4cc(Cl)ccc4=[NH+]3)N2)cc1,C64678771_decoy,GLCM,Decoy,0,-5.5322,-8.91,-1.21,-5.453123623324658
CC1=c2cc(C)ccc2=[NH+][C@@H]1[C@@H]1NC(CCN(C)C(=O)c2ccc(C(C)C)cc2)=NO1,C65182706_decoy,GLCM,Decoy,0,-5.39873,-7.99,-2.21,-5.989614329855621
O=C(C[NH+]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccc(F)cc1,C65250083_decoy,GLCM,Decoy,0,-6.96942,-6.51,-3.33,-5.391144739657322
CC[C@@H]1CCCC[NH+]1Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12,C05070397_decoy,GLCM,Decoy,0,-7.36143,-6.62,-1.25,-4.75861866319953
C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)Cc1c(F)cccc1Cl,C03571703_decoy,GLCM,Decoy,0,-8.45924,-7.06,-2.37,-6.785473410593549
O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C1,C11914598_decoy,GLCM,Decoy,0,-8.03189,-7.55,-0.81,-5.219643743378339
CC(=O)Nc1ccc(C[NH+]2CCOc3ccc(C4=CCCCC4)cc3C2)s1,C12278971_decoy,GLCM,Decoy,0,-8.03382,-6.69,-0.74,-6.93458483740229
Cc1cccc(C2(O)CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)c1,C12143841_decoy,GLCM,Decoy,0,-8.31659,-7.31,-4.03,-4.58735194671762
c1cc2c(cc1N[C@@H]1CCC[NH+](C3CSCCSC3)C1)OCO2,C12441531_decoy,GLCM,Decoy,0,-10.8391,-6.71,-2.44,-6.874954275673917
Cc1ccc(C[NH+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)c(C)c1,C12247309_decoy,GLCM,Decoy,0,-7.86007,-7.42,-2.46,-6.034251804681554
Cn1cc(C[NH+]2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)cn1,C13595708_decoy,GLCM,Decoy,0,-7.53187,-8.31,-1.06,-7.711278794141169
CC(C)c1nn(C[NH+]2CCc3sccc3[C@H]2c2ccccc2)c(=S)[nH]1,C14201257_decoy,GLCM,Decoy,0,-7.85009,-5.81,-1.69,-5.83835869234738
CC1(C)C[C@@H](C[NH+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)CCO1,C19641565_decoy,GLCM,Decoy,0,-6.92573,-6.6,-2.01,-5.063436949168843
CCn1cc[nH+]c1CN1CCc2c([nH]c3ccccc23)[C@@H]1C(C)(C)C,C19957657_decoy,GLCM,Decoy,0,-6.48152,-6.81,-3.18,-6.240439857989871
CCc1sc2ncnc(N3CC[NH2+]CC3)c2c1-c1ccc(C)cc1,C20319488_decoy,GLCM,Decoy,0,-6.19462,-7.14,-1.57,-4.719510728905809
C[NH+](C)Cc1c(O)ccc2c(=O)c(-c3ccc(Br)cc3)coc12,C20358282_decoy,GLCM,Decoy,0,-7.17872,-7.13,-1.06,-8.098624802749452
FC(F)(F)c1ccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)nc1,C20421653_decoy,GLCM,Decoy,0,-6.32561,-7.5,-2.0,-4.809429103338645
Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2ccccc2o1,C20995759_decoy,GLCM,Decoy,0,-6.99666,-7.91,-2.44,-6.037521471896817
C=C(C)C#C[C@](O)(C(=O)O[C@@H]1C2CC[NH+](CC2)[C@@H]1C)C1CCCCC1,C05954703_decoy,GLCM,Decoy,0,-8.28847,-6.48,-4.36,-8.454425171318473
CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)c1ccc(Br)o1,C35541518_decoy,GLCM,Decoy,0,-7.15581,-5.76,-0.35,-5.785545250205474
C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1ccc(Br)s1,C36266488_decoy,GLCM,Decoy,0,-8.06878,-6.59,-0.41,-5.02384521771742
C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1ccc(F)cc1Br,C37574217_decoy,GLCM,Decoy,0,-7.76728,-7.02,-1.05,-4.936094931196537
C[C@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C/c2ccc(F)cc2)C3=O)C1,C37857603_decoy,GLCM,Decoy,0,-7.52314,-7.34,-1.44,-6.083087643345514
COc1ccc(C[NH+]2CCc3c([nH]c4ccccc34)C2)c(OC)c1C,C04990326_decoy,GLCM,Decoy,0,-6.65491,-7.65,-1.52,-4.730908071640855
Fc1ccc(CNN2C3=[NH+]C=CCN3c3ccc4c(c32)CCC4)cc1,C38803917_decoy,GLCM,Decoy,0,-4.88439,-8.91,-1.04,-7.471819290087246
O=C(Cc1ccc(Br)cc1)N/N=C/C1=c2ccccc2=[NH+]C1,C39354022_decoy,GLCM,Decoy,0,-6.45108,-8.01,-1.21,-4.899738961114077
Cc1cccc([C@@H]2C=NN=C2C2CC[NH+](Cc3ccccc3O)CC2)c1,C39394615_decoy,GLCM,Decoy,0,-7.85258,-6.7,-3.23,-6.453515331690092
CCc1cccc2c1=[NH+]CC=2/C=C1\S[C@H]2Nc3ccccc3N2C1=O,C39960690_decoy,GLCM,Decoy,0,-7.86939,-7.06,-2.9,-5.342319055360287
COc1ccc([C@H]2c3cccn3CCC[NH+]2Cc2cccc(C)c2)cc1O,C40410347_decoy,GLCM,Decoy,0,-8.13795,-8.63,-1.18,-7.817810779829757
CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1,C40446374_decoy,GLCM,Decoy,0,-7.86972,-6.68,-1.09,-7.363778276209368
CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1,C40446375_decoy,GLCM,Decoy,0,-7.88941,-6.34,-0.72,-6.63428505081685
O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)/[NH+]=C1/NCCS1,C46551865_decoy,GLCM,Decoy,0,-7.76665,-7.98,-2.2,-9.320391638717611
O=c1cc(-c2ccccc2Cl)nc(-c2cccc(C[NH+]3CCCC3)c2)[nH]1,C48081032_decoy,GLCM,Decoy,0,-7.74483,-8.14,-2.17,-7.139253647118959
C[NH2+][C@H](C)c1nnn(-c2ccc(Br)cc2Br)c1C,C49185939_decoy,GLCM,Decoy,0,-6.90295,-5.81,-0.79,-5.774448259489982
C[NH2+][C@@H](C)c1nnn(-c2ccc(Br)cc2Br)c1C,C49185940_decoy,GLCM,Decoy,0,-6.46665,-6.41,-0.84,-5.73123896558503
Cc1nc(C2([NH2+]Cc3ccc(Br)s3)CCCCC2)no1,C49392530_decoy,GLCM,Decoy,0,-8.09327,-7.09,-0.12,-5.380196332705156
C[NH2+][C@@H](c1cc2c(cc1Br)n(C)c(=O)n2C)C(C)(C)C,C51951925_decoy,GLCM,Decoy,0,-5.93798,-4.17,-1.27,-4.224322395823508
c1ccc2c(c1)N[C@@H](c1ccncc1)N1CCC3=c4ccccc4=[NH+][C@H]3[C@H]21,C52566369_decoy,GLCM,Decoy,0,-7.16616,-7.06,-4.27,-4.523137868513317
C[C@H]1c2ccsc2CCN1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C,C56936280_decoy,GLCM,Decoy,0,-6.62233,-6.34,-2.45,-7.863468350817548
Oc1ccc(Br)cc1/C=[NH+]/Cc1cccc2c1OCO2,C48833065_decoy,GLCM,Decoy,0,-7.41972,-7.74,-1.52,-6.738042436431639
Clc1ccc([C@H]2C[C@@H](c3cccnc3)Nc3[nH+]c4ccccc4n32)cc1,C02500023_decoy,GLCM,Decoy,0,-8.33224,-6.66,-5.69,-6.067590426689844
CC[NH2+][C@@H](C)c1nnn(-c2cc(Br)ccc2Cl)c1C,C61692361_decoy,GLCM,Decoy,0,-7.70842,-6.65,-1.1,-10.511597507464671
CCCC1(c2nc(-c3ccc(Br)cc3)no2)CC[NH2+]CC1,C62845664_decoy,GLCM,Decoy,0,-8.01011,-6.54,-1.57,-7.544145776501691
CC[C@]1(c2nc(-c3ccc(Br)cc3)no2)CCC[NH2+]C1,C62871975_decoy,GLCM,Decoy,0,-7.8837,-8.36,-1.76,-8.761691701697679
Cc1cc(O)c(C[NH+](C)C)c2c1C(=O)/C(=C/c1cccc(Cl)c1)O2,C41510348_decoy,GLCM,Decoy,0,-7.16369,-5.53,-1.18,-5.36168199205118
O=S(=O)(c1cc(Cl)sc1Cl)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1,C63189889_decoy,GLCM,Decoy,0,-7.55238,-6.82,-2.91,-4.921633551989923
O=C1[NH+]=c2ccccc2=C2S[C@@H](C(=O)NCCC3=CCCCC3)C=C12,C63433761_decoy,GLCM,Decoy,0,-6.98182,-7.95,-3.34,-6.450705841875284
C=CCN1C(=O)[C@@]2(NCCC3=c4cc(F)ccc4=[NH+][C@@H]32)c2ccccc21,C63491243_decoy,GLCM,Decoy,0,-6.26749,-6.43,-2.85,-4.178555957676025
O[C@@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1,C25218690_decoy,GLCM,Decoy,0,-6.58301,-7.39,-3.48,-5.290521585790831
Cc1ccc2[nH+]c(CNc3ccc(F)c(C(F)(F)F)c3)cc(=O)n2c1,C65208102_decoy,GLCM,Decoy,0,-5.30999,-6.94,-2.29,-3.967225449208212
O=C(NCc1cc(F)cc(Br)c1)N1CC[C@H]([NH+]2CCCC2)C1,C66187268_decoy,GLCM,Decoy,0,-7.6368,-6.61,-1.29,-11.319135022441818
Clc1ccccc1-c1ccc(C[NH+]2CCC[C@H](c3ccn[nH]3)C2)o1,C11975794_decoy,GLCM,Decoy,0,-7.43988,-7.36,-0.91,-7.564250263060386
O[C@@H]1C[NH+](Cc2cccc(Cl)c2)CC[C@H]1c1ccc2c(c1)OCO2,C67472904_decoy,GLCM,Decoy,0,-7.95023,-7.23,-2.01,-4.807553805310166
CC[C@]12C=CC[NH+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32,C04097970_decoy,GLCM,Decoy,0,-6.98815,-6.21,-1.45,-4.751475733456356
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCCC3)c2C#N)C1,C02487578_decoy,GLCM,Decoy,0,-7.85605,-6.84,-1.54,-7.795216663700117
Oc1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1)OCO2,C04377857_decoy,GLCM,Decoy,0,-7.42456,-6.2,-1.83,-6.085033756646646
C[NH+](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2,C04820954_decoy,GLCM,Decoy,0,-7.33301,-6.64,-2.03,-10.2148654365079
O=c1ccc2c(O)c(-c3ccc(Cl)cc3)coc-2c1C[NH+]1CCCCCC1,C05997148_decoy,GLCM,Decoy,0,-8.07035,-6.89,-3.37,-6.75438442814966
C[NH+](Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)C1CCCCC1,C00122763_decoy,GLCM,Decoy,0,-7.39921,-8.17,-1.24,-8.82675795722104
CC[C@H]([NH2+]C)c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1,C00250891_decoy,GLCM,Decoy,0,-5.95605,-5.92,-3.29,-5.552824060148592
N#Cc1c(NC(=O)C[NH+]2CCC[C@H]3CCCC[C@H]32)sc2c1CCC2,C07587377_decoy,GLCM,Decoy,0,-8.13466,-7.21,-1.57,-5.232718738481711
Oc1cc2c(cc1C[NH+]1CCC[C@H]1c1ccc3c(c1)OCCO3)CCC2,C09515122_decoy,GLCM,Decoy,0,-8.01728,-7.44,-0.92,-5.288599100549194
c1cc2c(cc1N[C@H]1CCC[NH+](C3CCSCC3)C1)OCO2,C12302125_decoy,GLCM,Decoy,0,-9.58316,-6.37,-1.25,-5.393043380375826
Cc1ccc(-c2nn(C[NH+]3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1,C12772878_decoy,GLCM,Decoy,0,-6.49723,-6.89,-2.97,-6.490919764771369
C[NH+](C)Cc1c2occ(-c3ccc(Cl)cc3)c(O)c-2ccc1=O,C05686938_decoy,GLCM,Decoy,0,-6.9439,-5.45,-1.76,-4.925117439052989
COc1cc(/C=C/C[NH+]2Cc3ccccc3O[C@@H](C)C2)ccc1O,C19799250_decoy,GLCM,Decoy,0,-8.33639,-7.08,-1.73,-6.71339694225142
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C[NH+]2CCCC2)CC1,C20532089_decoy,GLCM,Decoy,0,-7.23046,-6.9,-2.21,-6.197721588019096
CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]C1CCCC1)C3,C20999304_decoy,GLCM,Decoy,0,-7.98008,-5.47,-1.93,-4.327644267146406
Cc1nc([C@@H]2CCC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)cc(=O)[nH]1,C23399789_decoy,GLCM,Decoy,0,-7.91605,-9.5,-1.81,-8.878022172663208
C[C@@H]1C[C@H](C)NC(SCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)=[NH+]1,C27030003_decoy,GLCM,Decoy,0,-7.99862,-7.05,-1.26,-7.396397063959414
C[NH2+]Cc1c(Oc2cc(C)c(Cl)c(C)c2)nc2sccn12,C35430834_decoy,GLCM,Decoy,0,-7.2952,-6.35,-1.16,-8.7549837854089
COc1cc(C[NH+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)ccc1O,C35789970_decoy,GLCM,Decoy,0,-8.19569,-7.41,-1.64,-6.913024328263513
COc1cc(C[NH+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)ccc1O,C35791172_decoy,GLCM,Decoy,0,-7.60012,-6.43,-1.6,-5.243189132593699
COc1cccc(C[NH+]2CCCn3cccc3[C@H]2c2cccc(F)c2)c1O,C35791268_decoy,GLCM,Decoy,0,-6.39707,-6.88,-0.74,-4.367077090223042
CCCCc1nc(N2CC[NH2+]CC2)c2c3c(sc2n1)C[C@H](C)CC3,C35847996_decoy,GLCM,Decoy,0,-8.53161,-5.59,-2.3,-4.880409829764628
C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)c1cc(Cl)sc1Cl,C36266506_decoy,GLCM,Decoy,0,-8.65339,-6.38,-0.95,-4.698683283554426
C[C@@H](Nc1c(Cl)cc(Cl)c2nsnc12)[C@H]1CCC[NH+](C)C1,C37129104_decoy,GLCM,Decoy,0,-8.63589,-5.49,-1.78,-6.188241775351033
C[NH+](C)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)coc12,C19791811_decoy,GLCM,Decoy,0,-8.00811,-6.95,-1.74,-7.149980917760376
Clc1ccc([C@@H]2C3=C(N=C4[NH+]=CNN42)c2ccccc2CC3)cc1,C13124877_decoy,GLCM,Decoy,0,-9.57249,-7.1,-4.28,-5.504931677965518
Fc1ccccc1N1NC(c2cc3ccccc3o2)=C2CCCC[NH+]=C21,C03696946_decoy,GLCM,Decoy,0,-6.06726,-7.51,-1.13,-5.012216464659455
Fc1ccccc1/N=C1\NN=C(C2=c3ccccc3=[NH+]C2)CS1,C39142670_decoy,GLCM,Decoy,0,-6.06185,-7.78,-0.83,-9.578546509821988
O=C(N/N=C\C1=c2ccccc2=[NH+]C1)c1cc(Cl)c(Cl)cc1Cl,C39315154_decoy,GLCM,Decoy,0,-5.69426,-6.22,-2.13,-5.775791688743297
C[C@@H]1C[C@H](C)C[NH+]([C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)C1,C36834417_decoy,GLCM,Decoy,0,-7.61413,-7.49,-2.27,-4.779183223509418
COc1ccccc1-c1n[nH]c2c1C[NH+](C[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2,C43631720_decoy,GLCM,Decoy,0,-6.88113,-7.69,-3.24,-6.217907081402667
C/C=C1\C[C@@H]2C[NH+]3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13,C44857622_decoy,GLCM,Decoy,0,-6.41036,-6.32,-1.64,-3.4714207480275894
CCn1c(=O)oc2cc([C@H]([NH2+]C)c3ccc(Cl)s3)ccc21,C51363322_decoy,GLCM,Decoy,0,-7.3162,-5.82,-1.77,-5.623998274659206
CC(C)[NH2+]Cc1cc2ccccc2c(-n2cc(Br)cn2)n1,C51493100_decoy,GLCM,Decoy,0,-7.56452,-7.36,-0.67,-7.763148615187285
C[NH2+][C@H](C)c1cnc(-c2cc(Cl)c3c(c2)OCCCO3)s1,C54160037_decoy,GLCM,Decoy,0,-8.24607,-7.22,-2.19,-6.729917190160847
CCn1c(/N=C/c2cc(Br)ccc2O)[nH+]c2ccccc21,C04599667_decoy,GLCM,Decoy,0,-5.6887,-6.26,-1.19,-5.040545739342891
CC(C)(C)c1nc2cc(Cl)cnc2n1CC[C@@H]1CCCC[NH2+]1,C57874374_decoy,GLCM,Decoy,0,-7.8974,-5.5,-0.68,-4.73272095961973
C[NH+]1CCC(Nc2nc(-c3ccsc3)nc3ccccc23)CC1,C60991683_decoy,GLCM,Decoy,0,-8.4172,-7.4,-0.7,-7.780568244878348
Cc1ccc2c(c1)=C(c1ccncc1)NN=C(c1ccc(F)cc1)[NH+]=2,C06533900_decoy,GLCM,Decoy,0,-7.58392,-6.65,-1.42,-5.293804192605696
COC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2ccccc2Cl)N1,C63349831_decoy,GLCM,Decoy,0,-6.88806,-6.97,-3.29,-6.155823595623743
CCCCCN1C(=O)[C@]2(NCCC3=c4cc(C)ccc4=[NH+][C@H]32)c2ccccc21,C63385449_decoy,GLCM,Decoy,0,-6.83285,-6.12,-2.79,-5.575621530183667
C[NH2+]C1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)CC1,C63870651_decoy,GLCM,Decoy,0,-9.21506,-5.86,-1.26,-5.309406747718173
COc1cccc2c1=C[C@H](C(=O)NC13CC4CC(CC(C4)C1)C3)[NH+]=2,C64044478_decoy,GLCM,Decoy,0,-5.60134,-7.63,-0.97,-4.482075365605343
C[C@@H](OC1=C[C@@H]2[NH+]=c3ccccc3=C2C=C1)C(=O)Nc1ccccc1F,C64053105_decoy,GLCM,Decoy,0,-6.63332,-7.26,-3.79,-4.571007746945101
C(=N/[NH+]=c1/cc(-c2ccccc2)[nH]c2ccccc12)\c1cccnc1,C45168980_decoy,GLCM,Decoy,0,-6.78194,-6.01,-1.67,-5.12535498509342
O=C1NC2(CC[NH+](Cc3ccccc3Cl)CC2)N=C1c1ccc(Cl)cc1,C35430855_decoy,GLCM,Decoy,0,-7.20594,-5.93,-2.24,-5.136015775629833
Cc1ccc(C2=NC3(CC[NH+](Cc4ccc(Cl)cc4)CC3)NC2=O)cc1C,C35430871_decoy,GLCM,Decoy,0,-8.89839,-6.85,-2.73,-6.392097878205698
Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c(C)c1,C35430888_decoy,GLCM,Decoy,0,-5.95793,-6.87,-2.46,-4.9748013084556
O=c1cc(CNc2ccc3c4c(cccc24)CC3)[nH+]c2sccn12,C65535524_decoy,GLCM,Decoy,0,-7.55817,-8.89,-3.29,-10.258443933558434
Cc1cccn2c(=O)cc(CNc3cc(Br)ccc3Cl)[nH+]c12,C66826299_decoy,GLCM,Decoy,0,-7.18999,-6.75,-1.45,-5.740489443227979
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC,C03628340_decoy,GLCM,Decoy,0,-6.75658,-5.34,-3.2,-4.116763330455309
COC(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1,C05194940_decoy,GLCM,Decoy,0,-6.40034,-7.27,-2.93,-5.056823362006979
COc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccccc2OC)C3)cc1,C08277513_decoy,GLCM,Decoy,0,-6.73949,-6.83,-2.2,-4.728985571998332
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O,C08490364_decoy,GLCM,Decoy,0,-6.3978,-7.89,-0.85,-5.54752033907697
COC(=O)c1c(C)cccc1NCC(=O)N1c2ccccc2NC(=O)C1(C)C,C08704650_decoy,GLCM,Decoy,0,-6.74316,-8.59,-1.55,-5.979437261975512
COc1ccccc1CS(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2,C09169187_decoy,GLCM,Decoy,0,-7.47092,-8.52,-1.48,-9.960855684573527
COc1ccc(NC(=O)[C@@H](C)SC2=C(C#N)C(C)(C)[C@H](C#N)C(=O)N2)cc1,C12622498_decoy,GLCM,Decoy,0,-8.27001,-5.89,-1.59,-6.848442420930601
COc1cccc([C@]2(C)NC(=O)N(NC(=O)/C=C/c3ccc(F)cc3)C2=O)c1,C12802340_decoy,GLCM,Decoy,0,-6.86596,-9.24,-3.87,-10.010744526685071
Cc1ccc(-n2cnnc2S[C@H](C)C(=O)NC(=O)NC(C)C)cc1Cl,C07189153_decoy,GLCM,Decoy,0,-7.21533,-7.73,-5.83,-5.748740908692398
COc1ccc2[nH]c3c(=O)n(CCCC(=O)N4CCCC4)c(=S)[nH]c3c2c1,C04951039_decoy,GLCM,Decoy,0,-6.47791,-7.56,-1.45,-6.2922778737995415
Cc1ccc(-c2csc(NC(=O)CCn3[nH]c(=O)ccc3=O)n2)cc1C,C14169845_decoy,GLCM,Decoy,0,-6.0757,-6.8,-1.51,-4.706300448625052
O=C(Nc1ccc(OC(F)F)cc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2,C14302628_decoy,GLCM,Decoy,0,-6.7026,-9.1,-2.85,-5.94950690137341
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(=O)c2ccccc2o1,C15384671_decoy,GLCM,Decoy,0,-3.61729,-7.59,-1.83,-3.894057504049328
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1,C22137677_decoy,GLCM,Decoy,0,-6.33381,-8.92,-5.34,-5.548933609543793
NS(=O)(=O)c1ccc(OCc2cccc(Br)c2)c([N+](=O)[O-])c1,C32901722_decoy,GLCM,Decoy,0,-6.37046,-6.34,-1.85,-5.945503760301421
CC1(C)NC(=O)N(CCCC(=O)Nc2nc3cc(Cl)ccc3s2)C1=O,C32909865_decoy,GLCM,Decoy,0,-7.49725,-7.33,-0.81,-5.274629893632439
CN(C)C(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1ccccc1Cl,C33140324_decoy,GLCM,Decoy,0,-6.96073,-7.66,-2.59,-6.748447351030221
COc1cccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)c1,C01354204_decoy,GLCM,Decoy,0,-6.8382,-7.99,-3.19,-5.96755078467275
O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc2c(c1)OCO2,C03410482_decoy,GLCM,Decoy,0,-6.63871,-8.3,-3.58,-6.737602123764412
CC(NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)=C1C=CC(=O)C=C1,C07976523_decoy,GLCM,Decoy,0,-6.49409,-6.98,-1.7,-8.353733571856042
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1ccco1,C40569668_decoy,GLCM,Decoy,0,-7.00244,-6.32,-1.99,-4.307822653734145
CCOC(=O)N1CCN(c2ncnc(Sc3ccc(C)cc3)c2N)CC1,C40783443_decoy,GLCM,Decoy,0,-6.34142,-7.73,-2.57,-6.312324240370425
O=C1COc2ccc(S(=O)(=O)N[C@H](c3ccccc3)c3ccco3)cc2N1,C42627428_decoy,GLCM,Decoy,0,-6.57846,-9.1,-2.99,-9.806929118553091
COc1cc(/C=C2\Oc3c(CO)c(O)cc(C)c3C2=O)cc(OC)c1OC,C45918970_decoy,GLCM,Decoy,0,-9.38189,-7.33,-3.88,-7.882949314025122
C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)c1ccc2ccccc2c1,C48800808_decoy,GLCM,Decoy,0,-5.55661,-9.5,-2.74,-7.297149177151849
COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)cc1OC,C49756512_decoy,GLCM,Decoy,0,-7.46239,-6.43,-2.45,-5.202079634698568
COc1ccc([C@H](C)NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1,C20512694_decoy,GLCM,Decoy,0,-6.78096,-7.98,-1.27,-9.029780693205351
C[C@H](COc1ccc(F)cc1)NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C,C50061213_decoy,GLCM,Decoy,0,-5.4614,-7.8,-2.98,-5.235618669120127
COCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2,C02377314_decoy,GLCM,Decoy,0,-7.45524,-6.47,-2.59,-6.449230625354134
COc1cccc([C@H]2CCCN2C(=O)CSc2ncc(C#N)c(N)n2)c1,C53548556_decoy,GLCM,Decoy,0,-7.01909,-7.17,-3.79,-7.199726135115654
COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC(=O)c1cccnc1,C54371431_decoy,GLCM,Decoy,0,-7.03286,-8.27,-1.55,-5.245415027416218
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-n2ccc(C(F)(F)F)n2)cc1,C56056965_decoy,GLCM,Decoy,0,-5.95733,-7.48,-1.92,-8.788959303237442
COc1ccc(NC(C)=O)c(NC(=O)/C=C/c2c(Cl)nc3ccccn23)c1,C56177781_decoy,GLCM,Decoy,0,-6.70322,-8.8,-2.83,-7.948481637697599
Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2n[nH]c(=O)c3ccccc23)c(C)c1,C06649601_decoy,GLCM,Decoy,0,-7.18428,-7.3,-1.89,-5.454403885156566
O=C(NCc1ccsc1)Nc1cccc(Cn2nc3ccccn3c2=O)c1,C57892338_decoy,GLCM,Decoy,0,-6.41247,-6.3,-1.83,-5.409668146771887
COC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1cccc(OC)c1,C58903155_decoy,GLCM,Decoy,0,-6.17887,-5.8,-3.83,-4.565354894860407
COc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)c1,C60163021_decoy,GLCM,Decoy,0,-6.29204,-7.93,-3.08,-5.1580426399010575
O=C(Nc1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1)c1ccco1,C61748931_decoy,GLCM,Decoy,0,-6.6134,-7.1,-1.91,-5.805666197772696
Cc1ccccc1-c1noc(CC(=O)NCc2cc3ccccc3[nH]c2=O)n1,C62221913_decoy,GLCM,Decoy,0,-5.78415,-8.44,-3.74,-5.042865704726449
CCn1c([C@@H](C)NC(=O)NCc2nc3ccccc3n2C)nc2ccccc21,C62555586_decoy,GLCM,Decoy,0,-7.26266,-7.17,-3.27,-5.364120118677267
C[C@@H](NC(=O)Nc1cccc(-c2cnco2)c1)c1ccc(-n2ccnc2)cc1,C52472510_decoy,GLCM,Decoy,0,-6.65945,-6.45,-1.31,-5.500516228138946
Cc1cc(=O)[nH]c(SCc2cc(=O)n3c(n2)S[C@H](SC(C)C)N3)n1,C63491586_decoy,GLCM,Decoy,0,-7.77108,-5.66,-2.61,-4.859027412117176
CCCOc1ccccc1[C@H]1C(C#N)=C(N)OC2=NN=C(c3ccncc3)[C@H]21,C04171009_decoy,GLCM,Decoy,0,-6.37604,-8.01,-4.61,-4.7932348614601095
Cc1ncsc1C(=O)NC1CCN(C(=O)N[C@@H](C)Cc2ccco2)CC1,C51271103_decoy,GLCM,Decoy,0,-7.9048,-7.43,-2.7,-6.874103086512782
O=C(CCC(=O)NCc1ccc(F)cc1Cl)/N=c1\[nH]nc2ccccn12,C65314438_decoy,GLCM,Decoy,0,-6.35834,-8.72,-4.49,-6.606003229583068
COc1ccc2c(CC(=O)NNC(=O)c3sccc3C)cc(=O)oc2c1,C66783156_decoy,GLCM,Decoy,0,-7.23881,-7.1,-2.8,-6.000188567737528
CS(=O)(=O)c1ccc(NC[C@@]2(O)CCCc3ccccc32)c([N+](=O)[O-])c1,C66859866_decoy,GLCM,Decoy,0,-5.69134,-8.13,-1.67,-5.176630772717889
COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(F)c3F)C2=O)cc1,C67088793_decoy,GLCM,Decoy,0,-6.89519,-9.26,-2.7,-6.189767222812602
COc1nc(C)cc(C)c1CNC(=O)N[C@H](C)c1ccc2c(c1)OCCCO2,C67100812_decoy,GLCM,Decoy,0,-7.0185,-7.41,-3.51,-5.958615342730395
Cc1c([C@@H](C)NC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)oc2ccccc12,C67532236_decoy,GLCM,Decoy,0,-7.41628,-6.98,-1.68,-5.7575781770872085
CC[NH+](CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12,C01747679_decoy,GLCM,Decoy,0,-6.47246,-6.94,-1.54,-5.488455272394356
Cc1cccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)NCC[NH+]3CCCC3)c2C)c1,C04417273_decoy,GLCM,Decoy,0,-8.6015,-7.16,-3.16,-7.023403252555565
Cc1ccc([C@@H](c2c(-c3ccccc3)n(O)c3ccccc23)[NH+]2CCOCC2)cc1,C05968775_decoy,GLCM,Decoy,0,-7.40803,-6.93,-2.92,-4.735618322480706
COc1ccc2cc(C[NH+](C)[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1,C07926703_decoy,GLCM,Decoy,0,-6.61868,-8.77,-3.21,-6.2632310733782806
C[NH+](C)[C@@H](CNc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccccc1,C08071650_decoy,GLCM,Decoy,0,-7.75275,-6.19,-2.26,-5.931332107306483
C=CC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Cl)s1,C08163280_decoy,GLCM,Decoy,0,-9.30032,-7.07,-3.52,-8.05737593373658
CCc1ccc(C[NH+](C)Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1,C07900899_decoy,GLCM,Decoy,0,-7.75441,-8.64,-2.42,-6.821619974154985
CC(C)C[NH+](Cc1c(O)ccc2c1O/C(=C\c1ccccc1)C2=O)CC(C)C,C08823664_decoy,GLCM,Decoy,0,-6.59238,-5.39,-2.04,-5.526562466552792
COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c2ccccc12,C11839043_decoy,GLCM,Decoy,0,-6.986,-6.55,-2.42,-5.430136160034805
CC(C)c1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[NH+]4CCCC[C@H]34)cs2)cc1,C12296553_decoy,GLCM,Decoy,0,-7.89357,-8.09,-2.74,-7.961887983368843
Clc1ccccc1CNc1nc2ccccc2n1CC[NH+]1CCCCC1,C12407554_decoy,GLCM,Decoy,0,-7.53668,-5.98,-2.81,-5.461518025116733
COc1ccc2cc(C[NH+](C)[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc2c1,C12748864_decoy,GLCM,Decoy,0,-5.20577,-5.93,-2.54,-5.457092312514593
COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2ccccn2)cc1C,C12460111_decoy,GLCM,Decoy,0,-7.49307,-7.54,-4.09,-7.080869771335569
Cc1cccc(C[NH+]2CCC(CNc3c(-c4ccc(C)c(C)c4)c(=O)c3=O)CC2)c1,C06749216_decoy,GLCM,Decoy,0,-8.60993,-8.35,-3.95,-7.51120696518534
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)CC1,C20978370_decoy,GLCM,Decoy,0,-7.13525,-6.19,-3.24,-6.186828591685418
COc1ccc2cc(C[NH+](C)[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2c1,C21672136_decoy,GLCM,Decoy,0,-6.97865,-7.4,-2.39,-5.412901952994274
CC[NH+]1CCC(CNc2ncc(-c3ccsc3)c3nc(C(F)(F)F)ccc23)CC1,C24908173_decoy,GLCM,Decoy,0,-8.11499,-8.07,-1.8,-10.486016848902729
CC(=O)N(C[C@H]1C[NH+](Cc2ccc[nH]2)C[C@H]1c1ccc(C)cc1)C1CCCCC1,C34740728_decoy,GLCM,Decoy,0,-6.78589,-7.48,-1.46,-7.159145076051963
CC(=O)N(C[C@H]1C[NH+](Cc2ccccc2O)C[C@@H]1c1ccc(C)cc1)C1CCCCC1,C34740731_decoy,GLCM,Decoy,0,-8.75035,-7.73,-2.11,-7.608468444620694
COc1ccc([C@@H]2CC(C34CC5CC(CC(C5)C3)C4)=[NH+]C(=S)N2)cc1OC,C19922931_decoy,GLCM,Decoy,0,-8.70475,-8.32,-2.31,-5.809007952374134
Brc1cccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c1,C13142814_decoy,GLCM,Decoy,0,-7.39295,-6.17,-1.46,-5.209412200857283
CC[NH2+][C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1,C38133874_decoy,GLCM,Decoy,0,-6.59029,-6.59,-3.11,-5.400420581267756
CC(C)CC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl,C38195457_decoy,GLCM,Decoy,0,-6.63527,-6.02,-3.38,-5.477659631374328
Cn1cccc1[C@@H](CNC(=O)C1(c2cccs2)CCCC1)[NH+]1CCCCCC1,C38677455_decoy,GLCM,Decoy,0,-8.92283,-7.84,-4.06,-8.023221691904146
Cc1ccccc1COc1ccc([C@H]2[NH+]=NC=C2c2ccc(Cl)cc2)c(O)c1,C39024584_decoy,GLCM,Decoy,0,-7.34647,-7.36,-3.79,-5.0071865325009455
COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cccc(F)c2)c1,C39227987_decoy,GLCM,Decoy,0,-6.64395,-7.16,-2.12,-4.934284756358409
COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2ccc(C)cc2)c1,C39228238_decoy,GLCM,Decoy,0,-6.75501,-6.36,-1.94,-6.263995747964185
COc1ccc2cc(C3=NN=C[C@H]3C[NH2+][C@H](C)Cc3cccs3)ccc2c1,C39356443_decoy,GLCM,Decoy,0,-7.76367,-6.69,-2.72,-5.58319914327458
Cc1ccccc1C[C@@]1(CO)CCC[NH+](C[C@@H]2C=NN=C2c2ccc(Cl)cc2)C1,C39541213_decoy,GLCM,Decoy,0,-8.10017,-9.29,-2.58,-6.153179686314653
C[C@]1(C(=O)/N=c2\[nH]c3c(s2)C[NH+](Cc2ccccc2)CC3)CC1(Cl)Cl,C37124463_decoy,GLCM,Decoy,0,-8.34618,-6.69,-1.93,-5.739814876679264
Cc1ccc2nc(S[C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)[nH]c2c1,C39248160_decoy,GLCM,Decoy,0,-7.86202,-8.89,-3.27,-7.232747160571054
CCOc1ccc([C@@H]2C[C@H](c3ccccc3F)n3c([nH+]c4ccccc43)N2)cc1Cl,C09496680_decoy,GLCM,Decoy,0,-7.90807,-9.27,-1.46,-6.622211914961497
Cc1ccc(-c2csc3ncnc(NCCCC[NH+]4CCCC4)c23)c(C)c1,C62048823_decoy,GLCM,Decoy,0,-7.37571,-5.37,-1.38,-7.06975292708343
Cc1cc(O)c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1ccc(Br)cc1)O2,C41510952_decoy,GLCM,Decoy,0,-8.58779,-5.94,-1.67,-5.885221743622607
Cc1ccsc1/C=C1\Oc2c(C[NH+]3CCCC[C@@H]3C)c(O)cc(C)c2C1=O,C41511504_decoy,GLCM,Decoy,0,-7.65512,-6.2,-2.47,-4.532164359374369
C[C@H]1CCCC[NH+]1Cc1c(O)ccc2c1O/C(=C\c1c(Cl)cccc1Cl)C2=O,C41511611_decoy,GLCM,Decoy,0,-7.77819,-7.25,-2.07,-5.230700126952903
Cc1cc(O)c(C[NH+]2CCCCCC2)c2c1C(=O)/C(=C/c1ccccc1Cl)O2,C41514223_decoy,GLCM,Decoy,0,-8.69731,-6.93,-1.89,-6.570385098850745
CCCC[NH+](C)Cc1c(O)cc(C)c2c1O/C(=C\c1c(F)cccc1Cl)C2=O,C41584017_decoy,GLCM,Decoy,0,-8.10796,-6.1,-2.27,-5.158817842173952
CCCC[NH+](C)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Cl)c1)C2=O,C41584034_decoy,GLCM,Decoy,0,-7.81422,-6.26,-1.13,-6.23585928797227
CCCC[NH+](C)Cc1c(O)cc(C)c2c1O/C(=C\c1cccc(Br)c1)C2=O,C41584035_decoy,GLCM,Decoy,0,-8.14531,-6.6,-1.45,-6.481335824626712
COc1ccc([C@H](CNC(=O)[C@@H]2CC=CCC2)C2=c3ccccc3=[NH+]C2)cc1,C63091689_decoy,GLCM,Decoy,0,-7.80671,-7.92,-1.53,-5.952559175604289
C=CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](CC2CCCC2)CC1,C63407576_decoy,GLCM,Decoy,0,-7.28456,-7.41,-3.41,-6.166172126644463
CC[C@@H](C)NC(=O)[C@H]1[NH+]=c2cc(OC)ccc2=C1Sc1ccc(C)cc1,C63531135_decoy,GLCM,Decoy,0,-7.98086,-6.83,-1.82,-7.921390846962769
CC[C@H](C)NC(=O)[C@@H]1[NH+]=c2cc(OC)ccc2=C1Sc1ccc(C)cc1,C63531140_decoy,GLCM,Decoy,0,-7.76245,-6.83,-0.92,-6.954752038345221
Cc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)NCCC(C)C)cc1,C63571688_decoy,GLCM,Decoy,0,-7.62558,-6.82,-5.31,-6.465483311990388
O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\C1=c2ccccc2=[NH+]C1,C38802784_decoy,GLCM,Decoy,0,-5.92385,-7.45,-4.31,-6.75654823829067
CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(SC(F)F)cc2)CC1,C64557168_decoy,GLCM,Decoy,0,-6.7527,-6.17,-3.8,-5.868917631578855
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1C1=NN[C@H](/C=C/c2ccccc2)C1,C65321183_decoy,GLCM,Decoy,0,-7.80567,-6.84,-3.0,-5.669667204164774
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@@H]1C1=NN[C@H](/C=C/c2ccccc2)C1,C65321185_decoy,GLCM,Decoy,0,-7.3972,-6.99,-3.97,-5.617106821302996
C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1)c1nnc2n1CCC2,C67186949_decoy,GLCM,Decoy,0,-7.45066,-6.81,-1.98,-6.128995447422178
CCCCC(=O)N(CCCCCC[NH3+])[C@@H](C)c1nc2ccccc2c(=O)n1CCOC,C04527675_decoy,GLCM,Decoy,0,-8.7479,-6.18,-2.3,-8.61002453855619
CC[NH+](CC)CCC[C@@H](C)n1cnc2c(N[C@@H](C)CCC[NH+](CC)CC)ncnc21,C04990641_decoy,GLCM,Decoy,0,-8.12369,-6.15,-2.55,-6.565177396320648
CC[NH+](CC)CCC[C@H](C)Nc1cccc2c1C(=O)c1cccc(N[C@@H](C)CCC[NH+](CC)CC)c1C2=O,C04773564_decoy,GLCM,Decoy,0,-9.30835,-6.67,-4.5,-8.14391850464467
CC[NH+](CC)CCOc1cccc(OCC[NH+](CC)CC)c1OCC[NH+](CC)CC,C05650070_decoy,GLCM,Decoy,0,-7.98028,-6.0,-4.58,-10.394679328272543
COCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(N)=O,C05716200_decoy,GLCM,Decoy,0,-7.49301,-5.95,-5.04,-7.092265357925442
COCCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(N)=O,C05716465_decoy,GLCM,Decoy,0,-8.59229,-7.26,-3.72,-6.536421309564877
CCOc1ccc(NC(=S)N(CCC[NH+](CC)CC)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1,C06078175_decoy,GLCM,Decoy,0,-8.47871,-6.86,-2.3,-9.612857357241625
CC[NH+](CC)CCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C06193055_decoy,GLCM,Decoy,0,-9.4635,-7.41,-4.37,-10.076665808104243
CC[NH+](CC)CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(C)cc(C)c2[nH]c1=O,C06193082_decoy,GLCM,Decoy,0,-8.72883,-7.15,-3.52,-8.229601414204165
CC[NH+](CC)CCCNC(=S)N(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O,C06193192_decoy,GLCM,Decoy,0,-9.72482,-6.97,-4.3,-8.457276671739036
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+](CC)CC)cc2c1,C06193217_decoy,GLCM,Decoy,0,-9.13729,-6.55,-2.07,-8.701474420666482
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCC[NH+](CC)CC)cc2c1,C06197792_decoy,GLCM,Decoy,0,-8.50538,-7.93,-3.44,-8.204315085117887
CCCCc1cc(Nc2ccc3nonc3c2[N+](=O)[O-])c(CC)c(Nc2ccc3nonc3c2[N+](=O)[O-])c1,C08398927_decoy,GLCM,Decoy,0,-7.5477,-7.01,-1.97,-7.653330162467483
CNC(=S)N/N=C(/C)CCCCCCCC/C(C)=N/NC(=S)NC,C04916664_decoy,GLCM,Decoy,0,-8.85038,-5.74,-3.44,-9.218052585664037
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCC2CCCC2)cc1OC,C12430342_decoy,GLCM,Decoy,0,-8.17577,-5.8,-1.63,-7.386049255217765
c1ccc2c(NCCCCCCCCCCCCNc3cc[nH+]cc3)c3c([nH+]c2c1)CCCC3,C13801261_decoy,GLCM,Decoy,0,-8.06495,-7.07,-4.58,-6.116392658637856
CCCCOc1ccc(/C=C/C(=O)NNC(=S)NCCCOC)cc1OC,C15909796_decoy,GLCM,Decoy,0,-9.13772,-5.37,-2.41,-7.92964368678573
COC[C@H](C)NC(=S)Nc1ccc(Oc2ccc(NC(=S)N[C@@H](C)COC)cc2)cc1,C16213179_decoy,GLCM,Decoy,0,-9.51415,-6.64,-3.03,-7.718038627041934
C=CCNC(=S)NNC(=O)[C@H](CCCC)C[C@@H](O)COCC(C)C,C13635279_decoy,GLCM,Decoy,0,-8.44902,-6.14,-1.95,-9.661711211203189
CCCCOC[C@@H](O)C[NH+](CCCC)C[C@H](O)COCCCC,C05298111_decoy,GLCM,Decoy,0,-6.87035,-5.44,-4.57,-7.577931194593765
COC[C@@H](C)NC(=S)Nc1ccc(Oc2ccc(NC(=S)N[C@@H](C)COC)cc2)cc1,C16213182_decoy,GLCM,Decoy,0,-9.76677,-6.23,-2.88,-9.574890353064752
COCCc1ccc(OC[C@@H](O)C[NH+](C[C@H](O)COc2ccc(CCOC)cc2)C(C)C)cc1,C22063147_decoy,GLCM,Decoy,0,-7.63258,-6.7,-3.17,-7.253431556789466
CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1,C27408333_decoy,GLCM,Decoy,0,-8.15104,-7.35,-3.72,-7.227143437202707
COc1cccc(CCN[C@H](c2ccc(Cl)cc2Cl)[C@H](C[NH2+]CCc2cccc(OC)c2)C(=O)[O-])c1,C33689089_decoy,GLCM,Decoy,0,-8.31991,-7.66,-3.24,-7.714089184671349
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@H]1OC[C@@H](C[C@@H]2O[C@@H]2[C@H](C)[C@@H](C)O)[C@@H](O)[C@H]1O,C33838877_decoy,GLCM,Decoy,0,-8.04057,-6.28,-3.29,-7.1804747084179015
COCCn1c([C@H](C)N(CCCCCC[NH3+])C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O,C34896776_decoy,GLCM,Decoy,0,-9.57121,-6.16,-3.58,-7.578785131736093
COCCn1c([C@H](C)N(CCCCCC[NH3+])C(=O)c2ccc(OC)cc2OC)nc2ccccc2c1=O,C35352100_decoy,GLCM,Decoy,0,-9.57914,-6.27,-4.01,-8.725450403942512
C/C=C(\C)C[C@H](C)C[C@@H](C)[C@H](O)[C@H](OC(=O)/C=C/C(C)=C/[C@H](CO)CCO)[C@@H](CC(=O)OC)OC,C35465860_decoy,GLCM,Decoy,0,-10.4973,-7.38,-4.19,-9.041205380605096
CCOC(=O)c1sc2nc(C[NH+](CCCOC)C[C@@H](O)COc3ccccc3C)[nH]c(=O)c2c1C,C35747050_decoy,GLCM,Decoy,0,-9.33489,-6.44,-2.73,-7.547131253351522
C=CCC[C@@H](O)C[NH+](Cc1ccccc1)Cc1nc2sc(C(=O)OCCOC)c(C)c2c(=O)[nH]1,C35747061_decoy,GLCM,Decoy,0,-9.94104,-6.65,-3.19,-8.013110282477621
COCCC[NH+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C[C@H](O)C(C)C,C35842572_decoy,GLCM,Decoy,0,-8.27347,-6.19,-2.54,-8.25840446802785
CCC[NH+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C,C35842584_decoy,GLCM,Decoy,0,-8.33673,-5.73,-4.47,-6.897965351195219
CC(C)COC[C@H](O)C[NH+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C,C35842596_decoy,GLCM,Decoy,0,-8.85218,-6.55,-4.28,-7.9075888722154835
CCC[C@H](O)C[NH+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1,C35842604_decoy,GLCM,Decoy,0,-8.38802,-6.59,-4.19,-7.720011070962891
CCC[C@@H](O)C[NH+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1,C35842606_decoy,GLCM,Decoy,0,-7.36601,-6.71,-4.79,-7.295523298903642
C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@H]1OC[C@H](C[C@@H]2O[C@H]2[C@H](C)[C@@H](C)O)[C@@H](O)[C@H]1O,C37263694_decoy,GLCM,Decoy,0,-6.77331,-7.52,-2.87,-7.949751111675916
CCCCCN(C(=O)CCC(=O)OCc1ccccc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O,C24770802_decoy,GLCM,Decoy,0,-8.07262,-6.4,-2.46,-8.48762422273304
C/C(NCCCCCCCCCCCCN/C(C)=C1/SC(=S)NC1=O)=C1\SC(=S)NC1=O,C20032678_decoy,GLCM,Decoy,0,-10.1579,-5.46,-4.63,-6.933732630733525
CC(C)CC[C@H](C)[NH+](C[C@H](O)COCc1ccco1)C[C@H](O)COCc1ccco1,C37474975_decoy,GLCM,Decoy,0,-8.19114,-6.37,-3.74,-7.977793393081896
CCCC[NH+](CCCC)CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1,C40008520_decoy,GLCM,Decoy,0,-9.83656,-6.63,-2.54,-9.137180137255108
CCCCOCC[NH2+]C[C@@H](O)COC[C@H](CC)CCCC,C40507159_decoy,GLCM,Decoy,0,-6.97922,-5.64,-2.24,-7.271845225817004
CCC(C)(C)c1ccc(OCCCCNC(=O)c2csc([C@@H]([NH3+])CC(C)C)n2)c(C(C)(C)CC)c1,C43227088_decoy,GLCM,Decoy,0,-9.99511,-6.73,-2.91,-8.41687484273636
CC(C)CCC[C@@H](C)CCOc1cc(CC[NH3+])c(OCC[C@@H](C)CCCC(C)C)cc1CC[NH3+],C44250223_decoy,GLCM,Decoy,0,-9.70267,-5.59,-5.06,-8.693185751430766
CCCC[C@@H](CC)COC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C,C49557225_decoy,GLCM,Decoy,0,-6.67093,-5.42,-2.83,-7.365075067218797
CCCC[C@H](CC)COC[C@@H](O)C[NH2+][C@@H](C)CC[NH+](C)C,C49557226_decoy,GLCM,Decoy,0,-6.36382,-5.61,-2.01,-7.683418802359179
CCC[C@@](C)(C[NH2+]C(C)C)C[NH+](CCCOC)CCOC,C51253485_decoy,GLCM,Decoy,0,-7.6452,-5.38,-3.13,-8.916084594050705
CCOCCC/[NH+]=C(/NCCCn1c(C)nc2ccccc21)NCc1ccc(OC)cc1,C58356450_decoy,GLCM,Decoy,0,-8.38562,-7.1,-3.11,-7.927231546672838
CCC[NH+]1CC[C@H](CN/C(NCc2ccc(OC)cc2)=[NH+]\CCCOCC)C1,C66244626_decoy,GLCM,Decoy,0,-8.22307,-6.34,-2.0,-7.425695690910422
CCOc1ccc(CNC(=S)N/N=C\C(C)=N\NC(=S)NCc2ccc(OCC)cc2)cc1,C16855311_decoy,GLCM,Decoy,0,-8.20464,-6.35,-4.02,-6.262245934769777
C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc(NCCOC)cc1)C(C)C,C67623150_decoy,GLCM,Decoy,0,-7.53579,-6.37,-3.02,-6.381994454176361
CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCSC)C(N)=O,C04762633_decoy,GLCM,Decoy,0,-9.00188,-7.1,-2.56,-10.124568491798538
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCSC)C(N)=O,C04762636_decoy,GLCM,Decoy,0,-8.88671,-7.23,-4.41,-9.770513401540784
CCOC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O,C05542106_decoy,GLCM,Decoy,0,-6.45792,-7.26,-3.43,-5.30968963214592
COC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1,C05575061_decoy,GLCM,Decoy,0,-7.91684,-8.44,-3.35,-6.671050695911167
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](NS(=O)(=O)c2cccs2)CCN1C(=O)COCC(=O)[O-],C04221743_decoy,GLCM,Decoy,0,-6.38787,-8.12,-3.22,-8.232727344802004
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])ccc12,C09167809_decoy,GLCM,Decoy,0,-7.86288,-9.65,-3.98,-9.007770298743033
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1sccc1C(N)=O,C09510327_decoy,GLCM,Decoy,0,-10.0141,-7.01,-2.18,-9.666630528510156
COc1ccc(CCNC(=O)CCC(=O)NNC(=O)Cc2c(C)[nH]c3ccc(C)cc23)cc1OC,C13941010_decoy,GLCM,Decoy,0,-7.44543,-8.3,-4.47,-6.765279070381436
CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1sccc1C(N)=O,C14359309_decoy,GLCM,Decoy,0,-8.61739,-7.73,-3.8,-7.918212878939644
CCOc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(OC)cc3)n2N)cc1,C20527988_decoy,GLCM,Decoy,0,-7.47591,-6.57,-2.04,-6.022757113490456
CC[C@H](C)c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(C(=O)OC)cc3)n2N)cc1,C20806059_decoy,GLCM,Decoy,0,-6.82159,-7.33,-5.01,-5.558444954734135
CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1,C20836773_decoy,GLCM,Decoy,0,-8.93658,-7.15,-4.76,-6.999587420582293
CCOC(=O)c1c(NC(=O)CCSc2nnc(N/N=C/c3ccc(C)cc3)n2N)sc2c1CCC2,C20918164_decoy,GLCM,Decoy,0,-8.43773,-7.4,-4.15,-6.505243625140058
CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3SCc3ccccc3)n2N)cn1,C20920770_decoy,GLCM,Decoy,0,-8.65193,-8.16,-3.68,-6.758063600816306
CCCCN(C(=O)CSc1nc(CCC2CCCC2)n[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C21809792_decoy,GLCM,Decoy,0,-8.41609,-8.0,-3.46,-8.893655453382046
COC[C@@H](C)NC(=S)NC1CCC(NC(=S)N[C@@H](C)COC)CC1,C12623130_decoy,GLCM,Decoy,0,-9.51026,-5.49,-3.01,-9.616907853161823
COCCCN(CC(=O)Nc1cc(C)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C22406498_decoy,GLCM,Decoy,0,-8.0962,-7.81,-1.51,-8.093425136828436
CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](O)CC(C)C)C(=O)NCCCC(=O)[O-],C31167611_decoy,GLCM,Decoy,0,-7.05037,-6.27,-3.82,-7.114104360299574
CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN/C(N)=N/[N+](=O)[O-])C(=O)[O-],C32602717_decoy,GLCM,Decoy,0,-7.89639,-6.14,-1.44,-6.944208334967462
CCCCNC(=O)[C@H](c1c(O)cc(O)cc1O)N(C)C(=O)[C@H](CC)CCCC,C36526781_decoy,GLCM,Decoy,0,-7.62606,-7.55,-1.51,-6.71247756002778
CCCCNC(=O)[C@@H](c1c(O)cc(O)cc1O)N(C)C(=O)[C@H](CC)CCCC,C36526783_decoy,GLCM,Decoy,0,-7.91107,-7.02,-4.66,-6.642531807540116
CCCCC/C=C\C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NCCCC)c1c(O)cc(O)cc1O,C36557393_decoy,GLCM,Decoy,0,-8.07699,-7.24,-4.43,-6.465020358947584
CCCCC/C=C/C(=O)N(CCC)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1c(O)cc(O)cc1O,C36563226_decoy,GLCM,Decoy,0,-9.42414,-6.61,-2.03,-8.814956668746627
Nc1nnc(CCCCCCCCCCc2nnc(N)s2)s1,C02105508_decoy,GLCM,Decoy,0,-8.90503,-4.84,-2.0,-5.735389155169401
CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O,C06190514_decoy,GLCM,Decoy,0,-7.86833,-7.31,-3.57,-7.953024854294396
CC(C)[C@H](COC(=O)C[C@H]([NH2+][C@H](C(=O)NC(C)(C)C)C(C)C)C(=O)[O-])C(=O)NC(C)(C)C,C38807045_decoy,GLCM,Decoy,0,-7.35044,-7.15,-2.86,-9.8469655859005
CCCCCc1c(C)[nH]c(NCCCCCCNc2nc(C)c(CCCCC)c(=O)[nH]2)nc1=O,C16809201_decoy,GLCM,Decoy,0,-7.69132,-6.63,-3.6,-6.454304696824024
Cc1nc(NCCCCNc2nc(=O)c(CC(C)C)c(C)[nH]2)[nH]c(=O)c1CC(C)C,C16809358_decoy,GLCM,Decoy,0,-6.78973,-6.83,-2.88,-5.2843165451100695
CCOC(=O)c1cccc(Nc2ncnc(Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c2N)c1,C40705872_decoy,GLCM,Decoy,0,-7.30325,-8.59,-3.46,-6.682340845547186
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21,C52537818_decoy,GLCM,Decoy,0,-7.32179,-7.81,-3.79,-7.842085270019942
CCCCOCCCNC(=O)Nc1ccc(OCC(N)=O)cc1C,C56710795_decoy,GLCM,Decoy,0,-7.04744,-5.6,-2.4,-5.095677538872378
CCOc1ccc(NC(=S)NC[C@H](C)NC(=S)Nc2ccc(OCC)cc2)cc1,C57758459_decoy,GLCM,Decoy,0,-8.10632,-7.26,-1.33,-7.704957325154512
CCOCCCNC(=S)NNC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1,C58876043_decoy,GLCM,Decoy,0,-8.43475,-7.02,-3.33,-10.296274207488826
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N/N=C/c3cc(OC)ccc3O)n2)sc2c1CCC2,C58998027_decoy,GLCM,Decoy,0,-9.32161,-6.82,-3.37,-7.310603459061677
C=CCc1cccc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)c(OC)c3)n[nH]2)c1O,C58998243_decoy,GLCM,Decoy,0,-9.06388,-6.83,-3.94,-6.309926850185484
COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3c[nH]c4ccccc34)n2)cc1OC,C59006566_decoy,GLCM,Decoy,0,-7.53344,-7.84,-3.32,-5.941699883458746
CCOc1ccc(/C=N/Nc2nc(SCC(=O)Nc3ccc([NH+](CC)CC)cc3)n[nH]2)cc1,C59014643_decoy,GLCM,Decoy,0,-7.38188,-6.28,-3.57,-5.414193536302579
COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cccc(OC)c3O)n2)cc1,C59016878_decoy,GLCM,Decoy,0,-7.98722,-7.4,-2.26,-6.847549052273706
Cc1cc(C)nc(N/C(=N\C(=S)Nc2cccc(OC(F)(F)F)c2)NCCc2ccc(O)cc2)n1,C14158947_decoy,GLCM,Decoy,0,-9.3823,-8.59,-4.84,-9.16241813852906
COCCn1cc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cn1,C59883900_decoy,GLCM,Decoy,0,-8.01016,-7.69,-1.71,-6.027734386414261
CC[C@H](C)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)cc1,C59887729_decoy,GLCM,Decoy,0,-8.14625,-7.98,-3.01,-6.467036377192528
CCCCOc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)c1,C59888028_decoy,GLCM,Decoy,0,-7.9831,-7.92,-4.34,-6.5582509797342
CCCC/C(C)=N/Nc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1N,C59915382_decoy,GLCM,Decoy,0,-7.31618,-6.44,-0.93,-6.122039981885079
COCCCNC(=S)NNC(=O)CCNC(=O)OC(C)(C)C,C63640171_decoy,GLCM,Decoy,0,-8.52097,-6.3,-4.22,-8.073749599453912
CC[C@@H](C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCCCOC)c2)c1,C66084944_decoy,GLCM,Decoy,0,-7.70245,-7.38,-4.99,-5.7998015069513205
N/C(=N\[N+](=O)[O-])NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C15721288_decoy,GLCM,Decoy,0,-6.3222,-8.79,-1.69,-8.550503985947305
CCCC[C@H](NC(N)=O)C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1,C66674294_decoy,GLCM,Decoy,0,-6.4626,-6.42,-4.27,-5.267473288808963
COc1ccc(COCCCNC(=O)[C@H](CC(C)C)NC(N)=O)cc1,C67174753_decoy,GLCM,Decoy,0,-6.95056,-5.78,-2.68,-5.132269037689413
CCOCCCNC(=O)NNC(=O)[C@H](NC(=O)CC(C)C)C(C)C,C67310058_decoy,GLCM,Decoy,0,-6.61564,-6.03,-4.18,-5.612523404213605
CCOCCCNC(=O)NNC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1,C67312819_decoy,GLCM,Decoy,0,-6.58116,-7.36,-5.04,-7.459452691293328
CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12,C01591941_decoy,GLCM,Decoy,0,-9.19453,-6.95,-4.01,-4.468299718467349
COc1ccc(C[NH2+]CCCCCCNc2cccc[nH+]2)cc1,C04379173_decoy,GLCM,Decoy,0,-6.98669,-6.14,-2.89,-5.389681815632253
OCCOc1ccc([C@H](Cc2ccccc2)[NH+](CCO)CCO)cc1,C01668866_decoy,GLCM,Decoy,0,-8.22108,-6.4,-2.95,-5.796048158908207
COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1,C12076252_decoy,GLCM,Decoy,0,-8.2268,-7.39,-2.67,-6.82465124526506
COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1,C12076254_decoy,GLCM,Decoy,0,-8.98792,-6.64,-1.51,-8.895892528951684
CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC,C12316089_decoy,GLCM,Decoy,0,-9.67366,-6.48,-1.66,-8.57790089705835
CSCCC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1,C12458915_decoy,GLCM,Decoy,0,-10.2823,-7.65,-1.37,-8.855269444374397
COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)ccc1OC[C@H](O)C[NH+](C)C(C)C,C12744498_decoy,GLCM,Decoy,0,-7.59703,-6.26,-2.74,-9.5583486365114
CC[C@@H](C)C[C@H](C)/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C,C14824899_decoy,GLCM,Decoy,0,-7.99302,-7.26,-2.74,-6.479934609707564
CSCCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1,C11662823_decoy,GLCM,Decoy,0,-9.54895,-6.02,-2.08,-6.575788254888946
COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1,C14953517_decoy,GLCM,Decoy,0,-8.60196,-7.39,-4.5,-6.761336520586703
CC/C(=C(/CC)c1ccc(O)c(C[NH+](CC)CC)c1)c1ccc(O)c(C[NH+](CC)CC)c1,C17289894_decoy,GLCM,Decoy,0,-8.77379,-6.84,-3.5,-8.801556694069271
CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC,C20365688_decoy,GLCM,Decoy,0,-6.84944,-6.11,-2.92,-8.45397032506094
CCN(CC)CC[NH2+]Cc1cc(Br)c(OCC(N)=O)c(OC)c1,C22075598_decoy,GLCM,Decoy,0,-6.87823,-4.78,-2.45,-5.916370047033464
C=CCOc1c(Cl)cc(C[NH2+]CCNC[C@H](C)O)cc1OC,C22076680_decoy,GLCM,Decoy,0,-7.97291,-6.24,-1.96,-8.758714325000717
COc1ccc(C(=O)N(CCCCCC[NH3+])[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(OC)c1,C33500111_decoy,GLCM,Decoy,0,-8.03402,-6.55,-2.49,-7.679616204743613
CCOc1cc(C[NH2+]CCCC(C)C)c(Br)cc1OCC(N)=O,C36612889_decoy,GLCM,Decoy,0,-7.53313,-6.48,-3.48,-7.59146118771044
CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)COCC1CC1,C37853162_decoy,GLCM,Decoy,0,-6.88053,-6.12,-3.67,-6.879117409888541
CCCC[NH+](CCCC)CCCn1c(CCC[NH3+])nc2cc(Cl)ccc21,C40406701_decoy,GLCM,Decoy,0,-8.44984,-6.57,-1.86,-8.184915525638033
CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NCCCOC,C42268709_decoy,GLCM,Decoy,0,-6.49215,-5.42,-2.84,-7.6324579491803055
CC[C@@H](C)[NH+](CCOC)CCOc1ccc(CC[NH3+])cc1,C42562920_decoy,GLCM,Decoy,0,-8.01988,-5.94,-1.84,-7.520212379969251
CC[C@H](C)C[C@](CC)(C[NH3+])[NH+](CCOC)[C@@H](C)CC,C42577639_decoy,GLCM,Decoy,0,-7.02509,-4.71,-3.57,-4.5115899727762825
CCCOc1ccc(C(=O)NNC(=O)NCC[NH+](C(C)C)C(C)C)cc1OC,C43064673_decoy,GLCM,Decoy,0,-6.68509,-5.68,-2.57,-5.095401029082559
CCOC(=O)[C@](C)([NH3+])CCCC[NH+](CC(C)C)C(C)C,C45426401_decoy,GLCM,Decoy,0,-7.94767,-5.72,-4.82,-7.152687330029315
CCCCOCCOCCCC[C@@](C)([NH2+]C(C)C)C(N)=O,C45473593_decoy,GLCM,Decoy,0,-7.28848,-5.52,-1.72,-7.282161266441285
CCCC[C@@H](CC)COCC[C@@](C)([NH2+]CC)C(N)=O,C45474521_decoy,GLCM,Decoy,0,-8.16142,-5.93,-1.9,-10.4876436568713
CCCC[C@@H](CC)COCCC[C@@](C)([NH2+]C(C)C)C(N)=O,C45474657_decoy,GLCM,Decoy,0,-7.94296,-5.62,-1.53,-9.962911788086728
CC(C)C[C@H](C)OCCCC[C@](C)([NH2+]C1CC1)C(N)=O,C45503522_decoy,GLCM,Decoy,0,-7.78107,-6.28,-1.76,-10.43719217348553
CC[NH2+][C@](C)(CCCCO[C@H](C)CC(C)C)C(N)=O,C45503781_decoy,GLCM,Decoy,0,-7.81251,-6.59,-1.28,-10.76431119816624
C=CC[NH+](CC=C)[C@@H](CNC(=O)NNC(=O)Cn1nc(C)cc1C)C(C)C,C46905755_decoy,GLCM,Decoy,0,-8.05247,-6.8,-2.52,-9.938927768105204
CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC[NH+](C(C)C)C(C)C)c1,C25702090_decoy,GLCM,Decoy,0,-6.74507,-6.16,-4.6,-5.941389690924277
CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C,C49641141_decoy,GLCM,Decoy,0,-6.88434,-5.99,-2.33,-7.083826436236432
CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCC[NH2+]C(C)C,C49646425_decoy,GLCM,Decoy,0,-6.97163,-5.12,-2.8,-6.719339172999981
CCC[NH2+]CC(CC)(CC)C[NH+](CCO)C1CCCC1,C51253961_decoy,GLCM,Decoy,0,-6.8951,-5.9,-3.18,-10.056903634967616
CCC[C@@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@H](O)COC,C51284333_decoy,GLCM,Decoy,0,-7.65764,-5.64,-1.53,-11.158952074846924
CC[C@@](C)(C[NH2+]CC(C)C)C[NH+](C)C[C@H](O)COC,C51284553_decoy,GLCM,Decoy,0,-6.99054,-6.0,-1.91,-9.058887840227644
CCC[C@@](C)(C[NH2+]CC(C)C)C[NH+](CCCO)C(C)C,C51285276_decoy,GLCM,Decoy,0,-7.62167,-6.19,-1.96,-8.49476554077324
CC(C)COCCCNC(=O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1,C51735992_decoy,GLCM,Decoy,0,-8.04066,-6.14,-2.63,-6.849037185594134
CCC[C@@](C)(C[NH2+]CC(C)C)C[NH+]1CCC[C@@H]1CCCO,C52763341_decoy,GLCM,Decoy,0,-7.91266,-6.21,-4.37,-8.963540634444858
CCCCN(C(=O)C[NH+](Cc1ccc(Cl)cc1)C1CC1)c1c(N)n(CCC)c(=O)[nH]c1=O,C59388033_decoy,GLCM,Decoy,0,-8.61877,-6.9,-4.44,-8.578171052026034
CCCCN(C(=O)C[NH+](CC1CCCCC1)C1CC1)c1c(N)n(CCC)c(=O)[nH]c1=O,C59390991_decoy,GLCM,Decoy,0,-8.66836,-7.21,-1.8,-6.449486054033173
CC[NH2+]C[C@@H](C)C(=O)N[C@H](C)CCC[NH+](CC)CC,C61227644_decoy,GLCM,Decoy,0,-7.06517,-6.15,-1.49,-7.150733042690347
CCCC[NH+](CC(N)=O)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC,C61349334_decoy,GLCM,Decoy,0,-6.97301,-6.12,-2.08,-9.8887583003715
CCCN[C@@H](CC[NH+](CCOC)[C@@H](C)CC)C(N)=O,C62522867_decoy,GLCM,Decoy,0,-6.61182,-5.64,-3.05,-6.5442967357761965
CCCN[C@H](CC[NH+](CCOC)[C@@H](C)CC)C(N)=O,C62522872_decoy,GLCM,Decoy,0,-7.43407,-5.47,-1.99,-7.717237537921362
CCCCCOc1c(CN2CC[NH+](CCC[NH3+])CC2)cccc1OC,C66143176_decoy,GLCM,Decoy,0,-8.54192,-6.18,-2.05,-7.976867005129475
CCOCC(=O)NNC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC,C66698781_decoy,GLCM,Decoy,0,-6.6702,-6.37,-1.49,-6.827692740058592
COC(=O)N[C@H](CC(C)C)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,C66731889_decoy,GLCM,Decoy,0,-7.86116,-6.87,-2.86,-6.990544972665134
COCC[NH+](C)CCCNC(=O)NNC(=O)CCC1CCCCC1,C67390990_decoy,GLCM,Decoy,0,-8.05222,-6.3,-2.22,-8.29453523487572
COCCNc1ccc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1,C67624801_decoy,GLCM,Decoy,0,-8.13245,-5.97,-1.95,-9.680597998629093
CCOC(=O)C(CC/C=N/Nc1ccc(N)cc1N)C(=O)OCC,C04235553_decoy,GLCM,Decoy,0,-5.6647,-5.28,-3.05,-4.681807021892676
C[NH+](CCO)C[C@H](O)COc1ccc(OC[C@H](O)C[NH+](C)CCO)cc1,C04764997_decoy,GLCM,Decoy,0,-8.13739,-7.13,-4.59,-8.640588782561052
CC(C)C[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N[C@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1,C05274074_decoy,GLCM,Decoy,0,-8.48628,-6.84,-3.49,-7.664696682848638
CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCC(N)=O,C08253719_decoy,GLCM,Decoy,0,-7.18515,-5.56,-2.25,-6.962104656061816
COc1cccc([C@H](C[NH2+]C[C@@H](O)C[NH+]2CCOCC2)c2c[nH]c3ccccc23)c1OC,C09729829_decoy,GLCM,Decoy,0,-8.21606,-6.96,-5.46,-8.272915819951375
COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCc2ncccc2C)c1,C11873314_decoy,GLCM,Decoy,0,-8.46016,-7.66,-1.81,-9.76334646073747
OCC(CO)[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1,C11950441_decoy,GLCM,Decoy,0,-7.73566,-8.82,-2.01,-11.461973860213872
COc1ccc(C[NH2+]CCc2c[nH]cn2)c(OC[C@H](O)C[NH+]2CCCC2)c1,C12196479_decoy,GLCM,Decoy,0,-7.44218,-6.92,-1.11,-7.108545462553575
COc1cc(C[NH2+]CCCn2nc(C)cc2C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1,C12592849_decoy,GLCM,Decoy,0,-8.81377,-8.35,-2.04,-7.5513277775270975
N#Cc1cc2cc3c(cc2[nH+]c1NCCCNC(=S)NCCC[NH+]1CCOCC1)OCO3,C12646203_decoy,GLCM,Decoy,0,-10.922,-6.61,-2.55,-6.707744700400207
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCSc2cn[nH]n2)cc1OC,C12303069_decoy,GLCM,Decoy,0,-9.33178,-6.4,-2.97,-7.429806493810709
CC(C)C[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)SCc1ccccc1,C13541307_decoy,GLCM,Decoy,0,-9.09651,-6.14,-2.23,-7.935532834142031
O[C@H](C[NH2+]Cc1ccco1)COc1ccc(OC[C@@H](O)C[NH2+]Cc2ccco2)cc1,C13581902_decoy,GLCM,Decoy,0,-8.03373,-6.26,-3.37,-7.345717195328568
COc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H](O)Cn3ccc4ccccc43)CC2)cc1,C15022306_decoy,GLCM,Decoy,0,-8.27188,-8.22,-4.05,-7.405239159029964
CC[C@H](C)[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C[NH2+][C@@H](C)CC)c1Cl,C16225868_decoy,GLCM,Decoy,0,-8.4579,-7.04,-1.69,-9.633568536165546
O[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCO2)cc1,C12139827_decoy,GLCM,Decoy,0,-8.64317,-6.5,-3.58,-7.468789112012343
C=CCC(O)(CC=C)C[NH2+]Cc1ccc(OC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1,C19221829_decoy,GLCM,Decoy,0,-8.4653,-8.17,-5.09,-8.267366496206856
COc1ccc(C[NH2+]CCc2n[nH]c(C)n2)c(OC[C@@H](O)C[NH+]2CCCC2)c1,C14954464_decoy,GLCM,Decoy,0,-8.47919,-6.46,-2.08,-7.576456239109198
CCNc1cc(-c2nc(CCCC/N=C(/NC)NC#N)n[nH]2)cc[nH+]1,C26274417_decoy,GLCM,Decoy,0,-12.2369,-6.51,-1.61,-8.609629062497183
[NH3+]C[C@@H](O)COc1ccc(Cc2ccc(OC[C@H](O)C[NH3+])cc2)cc1,C26896597_decoy,GLCM,Decoy,0,-9.95521,-6.13,-3.18,-7.3471997613651325
[NH3+]C[C@@H](O)COc1ccc(Cc2ccc(OC[C@@H](O)C[NH3+])cc2)cc1,C26896592_decoy,GLCM,Decoy,0,-10.7083,-5.58,-2.79,-8.423591422018397
O[C@H](C[NH2+]Cc1ccccc1Cl)COc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2Cl)cc1,C27529520_decoy,GLCM,Decoy,0,-9.22959,-7.26,-2.0,-7.726009470146807
[NH2+]=C(NC/C=C(\c1ccc(F)cc1)c1ccccn1)NCCCc1c[nH]c[nH+]1,C29572066_decoy,GLCM,Decoy,0,-11.0547,-8.26,-4.31,-8.892580923326848
CC[NH+](CC)CCOc1ccc2c(c1)C(=NNC(N)=O)c1cc(OCC[NH+](CC)CC)ccc1-2,C31847307_decoy,GLCM,Decoy,0,-8.71747,-7.2,-2.84,-8.905259075425102
CSCC[C@H]([NH3+])c1nc(C(=O)NCC[NH+](C(C)C)C(C)C)co1,C05977057_decoy,GLCM,Decoy,0,-10.2353,-6.41,-2.4,-8.608606995506346
O[C@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1,C04262952_decoy,GLCM,Decoy,0,-8.89628,-7.25,-2.93,-7.297943670603468
Cc1ncc(CO)c(/C=[NH+]\CCCCCC/[NH+]=C\c2c(CO)cnc(C)c2O)c1O,C13704036_decoy,GLCM,Decoy,0,-7.98679,-7.46,-2.73,-7.267854994876221
O[C@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCO2)cc1,C13151613_decoy,GLCM,Decoy,0,-9.21281,-7.38,-3.74,-8.748377705543165
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CC[NH2+]C[C@H](C)O)o2)c1,C38246082_decoy,GLCM,Decoy,0,-8.33497,-6.0,-2.92,-6.357497825763798
Cc1cc(C(C)(C)C)ccc1OCC(=O)N[C@H](CCCC[NH3+])C(N)=O,C33859850_decoy,GLCM,Decoy,0,-7.81284,-5.58,-2.66,-6.415893391075136
NC(=O)[C@@H](CCCC[NH3+])NC(=O)c1csc([C@@H]([NH3+])Cc2ccc(OCc3ccccc3)cc2)n1,C43209406_decoy,GLCM,Decoy,0,-10.3232,-6.57,-3.14,-7.567003783409369
CC[NH+](CC)CCC[C@H](C)NC(=O)c1coc([C@@H]([NH3+])CC(C)C)n1,C43213382_decoy,GLCM,Decoy,0,-8.81241,-6.7,-3.19,-7.133701863055933
CC[C@@H](C)[C@H]([NH3+])c1nc(C(=O)N[C@H](C)CCC[NH+](CC)CC)co1,C43213409_decoy,GLCM,Decoy,0,-8.63287,-6.36,-4.54,-9.27545909019753
CCCC[C@H](CC)COc1cc(C[C@H]([NH3+])CO)c(OC)cc1C[C@H]([NH3+])CO,C44467493_decoy,GLCM,Decoy,0,-9.03722,-5.16,-0.93,-8.937667629256362
CCCC[C@@H](CC)COc1cc(C[C@H]([NH3+])CO)c(OC)cc1C[C@@H]([NH3+])CO,C44467496_decoy,GLCM,Decoy,0,-8.8689,-6.75,-1.65,-14.466142265193222
CCOC(=O)[C@]1(Cc2ccncc2)CCCN(C(=O)[C@@H](CC2=c3ccccc3=[NH+]C2)NC(=O)C(C)(C)[NH3+])C1,C52584631_decoy,GLCM,Decoy,0,-9.77679,-8.46,-4.03,-9.662447028734505
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1,C27529389_decoy,GLCM,Decoy,0,-7.7416,-5.94,-2.33,-8.962171216861018
COCCNC(=O)CCNC(=O)NNC(=S)NC1CCCC1,C54738845_decoy,GLCM,Decoy,0,-6.92732,-6.96,-1.94,-6.716000199341242
COc1cc(CNCc2[nH]cc(C)[nH+]2)ccc1OC[C@H](O)C[NH+](C)C(C)C,C15075159_decoy,GLCM,Decoy,0,-7.74401,-7.47,-2.21,-6.757284550675241
C[NH+](C)CC(=O)Nc1cccc(CNC(=O)NCCCCn2cc[nH+]c2)c1,C57376066_decoy,GLCM,Decoy,0,-7.57495,-6.24,-2.51,-5.739738665575589
CCc1ccc(OCCNc2cc(NCC[NH3+])ccc2[N+](=O)[O-])cc1,C59386732_decoy,GLCM,Decoy,0,-6.20022,-6.99,-4.02,-6.334658845319814
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc2c(c1)OCO2,C20876779_decoy,GLCM,Decoy,0,-9.04986,-6.21,-2.75,-8.078979886261342
C[C@H](O)C[NH+](Cc1cc(O)c(C[NH+](C[C@@H](C)O)C[C@@H](C)O)cc1O)C[C@@H](C)O,C17328547_decoy,GLCM,Decoy,0,-8.40618,-6.61,-3.95,-9.448057354862437
CCOC(=O)[C@H]1[NH+]=c2cc(OC)c(OC)cc2=C1NC(=O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1,C38664336_decoy,GLCM,Decoy,0,-9.24761,-8.4,-3.96,-8.097215188265963
CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCc2c[nH]cn2)cc1OC,C12306747_decoy,GLCM,Decoy,0,-7.18777,-6.61,-3.0,-6.898174817191653
COCCC(=O)N[C@@H]1c2cc(N[C@H](C)C(C)(C)O)c[nH+]c2N(CCC2=c3ccccc3=[NH+]C2)[C@@H]1C(=O)OC,C63985891_decoy,GLCM,Decoy,0,-9.97878,-8.17,-3.82,-8.916726507307974
CCC[C@H](NC(N)=O)C(=O)NC[C@H](CC(C)C)NC(=O)OCC,C64291031_decoy,GLCM,Decoy,0,-6.76175,-7.26,-2.2,-9.007632612705752
CC(C)[NH2+]C[C@@H](O)COc1cccc2c1ccn2C[C@@H](O)C[NH2+]C(C)C,C32219247_decoy,GLCM,Decoy,0,-7.42093,-7.12,-1.32,-6.721194884660136
CC[NH+](CC)[C@H](CN/C(N)=[NH+]/Cc1ccco1)c1cccc(OC)c1,C66242696_decoy,GLCM,Decoy,0,-7.76758,-5.56,-1.64,-6.744799672857218
CCOCCC/[NH+]=C(\NCc1ccc(OC)cc1)NC[C@H](O)C[NH+](C)C,C66245228_decoy,GLCM,Decoy,0,-8.05318,-5.44,-2.93,-7.89922451109663
COCCNC(=S)NCCNc1[nH+]c2ccc(OC)cc2cc1C#N,C04937080_decoy,GLCM,Decoy,0,-7.24661,-6.32,-2.93,-6.840817325018133
CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(C[NH2+]CCCCO)ccc12,C03140132_decoy,GLCM,Decoy,0,-9.40963,-5.12,-1.89,-6.459574908061271
C/C(=N\OC[C@@H](O)C[NH2+]CCNC(=O)C(C)C)c1ccc(N(C)C)cc1,C05488048_decoy,GLCM,Decoy,0,-6.45961,-7.16,-2.61,-5.39909147877223
C/C(=N/OC[C@H](O)C[NH2+]CCNC(=O)C(C)C)c1ccc(N(C)C)cc1,C05834592_decoy,GLCM,Decoy,0,-6.93725,-6.68,-4.0,-5.843026353117173
CCCCC[C@@]1(C(=O)OCC)C[C@@H](CSC(N)=[NH2+])OC1=O,C05846644_decoy,GLCM,Decoy,0,-8.32681,-4.93,-1.44,-9.314960399808434
C=CCc1cc(C)ccc1OCCOCCNCC[NH3+],C20118143_decoy,GLCM,Decoy,0,-6.70502,-5.82,-1.36,-6.427082715542972
CCOCCC[NH2+]Cc1cccc(OC)c1OCC(N)=O,C20872522_decoy,GLCM,Decoy,0,-7.25964,-6.35,-1.51,-11.219815289918827
CCN(CC(=O)NCc1cccs1)C(=O)CS/C(N)=[NH+]/CCOC,C29485910_decoy,GLCM,Decoy,0,-9.1073,-4.97,-3.77,-6.973170056553316
CCOCCOC[C@H](O)COc1cccc(C[NH3+])c1,C35727881_decoy,GLCM,Decoy,0,-7.62341,-5.93,-2.93,-7.089433605302067
CCC(CC)C[NH+](CC)C[C@H](O)COc1ccc(N)cc1,C36196558_decoy,GLCM,Decoy,0,-6.35684,-5.99,-5.44,-5.946780760666282
CCOCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1,C36228712_decoy,GLCM,Decoy,0,-6.89928,-5.95,-3.48,-9.974979422537608
CCC[NH+](CCC)C[C@@H](O)COc1ccc(C(N)=S)cc1,C37144007_decoy,GLCM,Decoy,0,-6.97602,-5.67,-3.33,-8.422713605689266
C=CCNC(=O)COc1cc(OCCC)ccc1CC[NH3+],C37719792_decoy,GLCM,Decoy,0,-8.32111,-6.14,-3.0,-7.6943125565942
COCCCOC[C@@H](O)COc1ccc(C[NH3+])cc1,C37747036_decoy,GLCM,Decoy,0,-7.56767,-5.09,-4.41,-5.952358628260629
Nc1c(NCCCn2cc[nH+]c2)ncnc1N(Cc1ccccc1)Cc1ccccc1,C40709691_decoy,GLCM,Decoy,0,-6.29302,-7.83,-4.39,-7.073006504905933
CCCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCCOCC)CC1,C41622846_decoy,GLCM,Decoy,0,-6.83381,-5.66,-2.49,-6.790586928851679
CCCCN(CC(N)=O)c1cc(Br)ccc1C[NH2+]CCC,C42691757_decoy,GLCM,Decoy,0,-6.21887,-5.8,-4.89,-6.543369233077092
CCC[C@@H](C)NC(=O)C[NH+](CCC(N)=S)CC(C)C,C43418272_decoy,GLCM,Decoy,0,-8.54712,-5.23,-3.33,-8.045519023878615
C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(NC(C)=O)c1)C(C)C,C43655101_decoy,GLCM,Decoy,0,-7.55604,-7.1,-3.71,-11.20245770908107
CC[C@@H](C(=O)N[C@H](C)CCC[NH+](CC)CC)C(N)=S,C44830401_decoy,GLCM,Decoy,0,-7.82824,-6.11,-4.54,-8.925155323754328
CC(C)[NH2+][C@](C)(CCCCN(C)CC(F)(F)F)C(N)=O,C45419718_decoy,GLCM,Decoy,0,-6.38999,-5.84,-1.69,-6.857112656617096
CCCN[C@H](C[NH+](CCCOC)CCOC)C(N)=O,C45423086_decoy,GLCM,Decoy,0,-7.38327,-5.68,-2.34,-9.272212063508656
CC(C)[NH2+][C@](C)(CCCCOC[C@H]1CCOC1)C(N)=O,C45467102_decoy,GLCM,Decoy,0,-7.86455,-6.29,-2.23,-7.37434627840506
CC[NH2+][C@@](C)(CCCCOC[C@H]1CCCO1)C(N)=O,C45476175_decoy,GLCM,Decoy,0,-7.65435,-6.31,-1.43,-10.474700136490648
CC(C)[NH2+][C@@](C)(CCCCSCc1ccco1)C(N)=O,C45548203_decoy,GLCM,Decoy,0,-7.87012,-6.35,-2.0,-11.186592697451408
CCC[NH2+][C@](C)(CCCCSc1ccc(Br)cc1)C(N)=O,C45551472_decoy,GLCM,Decoy,0,-8.13124,-6.05,-1.51,-9.521777376750125
CCC[NH2+][C@@](C)(CCCCSc1nnc(C)s1)C(N)=O,C45592474_decoy,GLCM,Decoy,0,-7.9744,-6.42,-1.81,-10.090997146280072
CCC[NH2+][C@@](C)(CCCCSc1ncc(C)cn1)C(N)=O,C45597938_decoy,GLCM,Decoy,0,-7.91126,-6.54,-2.77,-7.1711913049887706
CC(=O)NCC[NH+](CC(=O)N[C@@H](C)C1CC1)CC(=O)N[C@H](C)C1CC1,C47551360_decoy,GLCM,Decoy,0,-6.81434,-6.38,-2.09,-7.703115052657684
CCCC[NH+](CCO)CC1=C(C(=O)OCC)CNC(=O)N1,C49800453_decoy,GLCM,Decoy,0,-6.92619,-6.7,-2.4,-8.840496640323327
C=CCc1ccc(OC[C@H](O)C[NH+](C)CC(N)=O)c(OC)c1,C51827009_decoy,GLCM,Decoy,0,-7.20416,-6.23,-1.85,-8.701642596904712
CC(C)[NH2+][C@](C)(CCCCOCC1CCOCC1)C(N)=O,C52170358_decoy,GLCM,Decoy,0,-7.35252,-6.34,-3.98,-10.666984826379885
CCC[NH2+][C@@](C)(CCCOCC1CCOCC1)C(N)=O,C52170422_decoy,GLCM,Decoy,0,-7.84214,-6.22,-1.82,-7.222863093980976
CCC[NH2+][C@](C)(CCCCSc1cc(C)nn1C)C(N)=O,C52312096_decoy,GLCM,Decoy,0,-7.87568,-6.6,-3.25,-10.260054320482936
CC(C)OCCOC[C@@H](O)C[NH2+]C1(CO)CCCCC1,C53097026_decoy,GLCM,Decoy,0,-7.53262,-6.29,-3.67,-7.059767234790363
CC1CCC(CO)([NH2+]C[C@@H](O)COCCOC(C)C)CC1,C53118304_decoy,GLCM,Decoy,0,-7.22263,-6.35,-2.84,-5.360056378684836
N#C/N=C(/NCCCCc1c[nH]c[nH+]1)NCCCc1cccnc1,C49089378_decoy,GLCM,Decoy,0,-9.25076,-7.58,-2.45,-8.724790082805862
COc1cc(CNCCC[NH+](C)C)cc(Br)c1OCC(N)=O,C55567964_decoy,GLCM,Decoy,0,-6.91461,-5.66,-2.41,-5.234669815494357
Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NCCCn2cc[nH+]c2C)cc1,C56122745_decoy,GLCM,Decoy,0,-7.56215,-7.75,-1.69,-8.21328820765085
COc1cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)ccc1OCCC(C)C,C56183062_decoy,GLCM,Decoy,0,-6.18818,-7.46,-1.79,-8.641583176648497
CCCCN(CCO)[C@H](c1ccc(OC)cc1)[C@H]([NH3+])CC,C42961647_decoy,GLCM,Decoy,0,-7.18668,-6.11,-2.13,-5.59091602145282
COc1ccc2[nH]cc(CCNC(=S)NCCC[NH+](C)C)c2c1,C59272919_decoy,GLCM,Decoy,0,-4.75023,-6.37,-0.73,-5.953717955302959
O=C(C[NH2+]CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1,C59447162_decoy,GLCM,Decoy,0,-5.67322,-6.96,-4.4,-6.496247804465393
CCN(CC(=O)N[C@@H](C)COC)C(CC)(CC)C[NH3+],C50092515_decoy,GLCM,Decoy,0,-6.64989,-5.24,-4.38,-7.80512510837226
COCC[NH+](C)CCCNC(=O)NCC(=O)NC(C)(C)C,C61495350_decoy,GLCM,Decoy,0,-6.09675,-6.28,-2.83,-6.316390642050614
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCC[NH+](CCO)CCO)[C@H]3C[C@H]12,C61997000_decoy,GLCM,Decoy,0,-8.68845,-7.36,-1.68,-8.782736248654215
CCCC[C@@H](CC)COCC[C@H]([NH2+]C1CC1)C(N)=O,C62543036_decoy,GLCM,Decoy,0,-7.89143,-5.97,-1.41,-10.16191535713783
COc1ccc(OC)c(CC[NH2+]Cc2ccc(OCC(N)=O)cc2)c1,C65934056_decoy,GLCM,Decoy,0,-7.40637,-6.69,-3.01,-6.687365612164436
CC[C@@H](C)[NH+](C)CCNC(=O)NCC(=O)NCc1ccc(OC)cc1,C66189596_decoy,GLCM,Decoy,0,-6.5586,-5.8,-2.35,-5.789958862815847
CC(C)COc1cccc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)c1,C67252170_decoy,GLCM,Decoy,0,-7.31621,-6.53,-3.75,-6.497873337727661
O[C@@H](C[NH2+]CCc1c[nH]c2ccccc12)C(F)(F)F,C08873182_decoy,GLCM,Decoy,0,-5.21603,-7.33,-2.16,-9.172444741113846
CC(C)c1ccc([C@H](O)CCCN2CCC([NH3+])CC2)cc1,C19936090_decoy,GLCM,Decoy,0,-7.88732,-7.03,-1.53,-9.769813071546425
CCCC[NH+](C)[C@@H](C[NH3+])c1ccc([O-])c(Br)c1,C32066885_decoy,GLCM,Decoy,0,-8.42646,-4.65,-2.6,-4.290428063853011
CCCC[C@@H](CC)[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2,C35359626_decoy,GLCM,Decoy,0,-6.8129,-6.96,-2.53,-7.175739161872982
CC[C@@H](C)N(CC)c1ccc(C(N)=[NH2+])c(C(F)(F)F)c1,C37113305_decoy,GLCM,Decoy,0,-6.25855,-6.83,-2.34,-4.982930120417831
C[C@@H]([NH2+]CCCC(N)=O)c1cc(Cl)ccc1Cl,C37658763_decoy,GLCM,Decoy,0,-6.85713,-4.72,-2.39,-5.053068289267192
NC(=O)CCC[NH2+]Cc1ccc(Br)cc1F,C37659315_decoy,GLCM,Decoy,0,-7.10052,-4.88,-2.53,-4.93439241582738
CC(C)[NH+](CCNc1cc(N)cc(F)c1)C(C)C,C37666679_decoy,GLCM,Decoy,0,-6.36734,-6.56,-1.26,-5.288659932974871
Cc1nc(C(C)(C)C)sc1[C@@H](C)NCCC[NH3+],C37713867_decoy,GLCM,Decoy,0,-7.9391,-5.48,-0.67,-5.991624740857404
Cc1nc(C(C)(C)C)sc1[C@H](C)NCCC[NH3+],C37713868_decoy,GLCM,Decoy,0,-8.47971,-4.34,-2.19,-6.249468423905128
CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC1CCCC1,C37740102_decoy,GLCM,Decoy,0,-7.29992,-6.46,-1.7,-8.94386969100511
CC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(SC)cc1,C38064833_decoy,GLCM,Decoy,0,-6.47505,-4.9,-2.34,-5.843029882473767
CC[C@H](C)[NH2+][C@](CC)(CO)c1ccc(O)cc1,C38115951_decoy,GLCM,Decoy,0,-6.62354,-4.81,-2.21,-5.830743536900525
CC(C)Cc1ccc([C@H](C)[NH2+]CC(N)=O)cc1,C21968381_decoy,GLCM,Decoy,0,-6.6573,-7.17,-1.35,-10.71505192567541
CC(C)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1O,C20122898_decoy,GLCM,Decoy,0,-6.43929,-6.53,-3.28,-4.76930549642006
CSCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F,C40463819_decoy,GLCM,Decoy,0,-9.25302,-5.02,-4.03,-6.41017775781122
CC(C)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O,C40774191_decoy,GLCM,Decoy,0,-7.14696,-7.02,-3.73,-7.811233089239555
Cc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC(C)C)c1,C40775405_decoy,GLCM,Decoy,0,-6.62543,-6.74,-3.6,-5.061691898541612
CC[C@@H](CC(N)=[NH2+])Sc1ccccc1OC,C41030657_decoy,GLCM,Decoy,0,-6.59826,-5.01,-1.74,-4.883131842545166
CC[C@@H]([NH3+])[C@@H](SCCO)c1ccc(C)cc1,C42943754_decoy,GLCM,Decoy,0,-7.67095,-6.37,-3.12,-12.050282749767645
C[C@H]([NH3+])[C@@H](N(CCO)C1CCCCC1)C(F)(F)F,C43378975_decoy,GLCM,Decoy,0,-6.17108,-5.05,-1.89,-4.213446576989949
CC(C)[NH2+][C@](C)(CSC1CCCCC1)C(N)=O,C45593663_decoy,GLCM,Decoy,0,-7.04905,-6.23,-1.08,-5.513831667154792
C[NH+](C)CCCCNc1ccc(Br)cc1N,C45686353_decoy,GLCM,Decoy,0,-5.86167,-5.85,-1.77,-8.410362370233452
CC(C)[C@H](C[NH+](C)C)Nc1ccccc1C(N)=S,C49224978_decoy,GLCM,Decoy,0,-6.9762,-6.96,-1.16,-8.37041078124343
CC(C)[C@@H](C[NH+](C)C)Nc1ccc(C(N)=S)cc1F,C49224982_decoy,GLCM,Decoy,0,-7.73951,-5.19,-1.52,-5.681701347833253
CC(C)C[C@H](C[NH+](C)C)Nc1cccc(N)c1,C49555002_decoy,GLCM,Decoy,0,-6.29996,-6.81,-2.59,-7.701526053168567
C[C@H]1CCC[C@H](OCCCCC(N)=[NH2+])C1,C49579961_decoy,GLCM,Decoy,0,-6.43096,-4.59,-0.97,-4.638675778782865
CCC[C@H](C)[C@@H]([NH2+]C1CCCCC1)C(N)=O,C49953617_decoy,GLCM,Decoy,0,-6.55588,-6.12,-3.08,-4.9316705752791234
CCCC[C@H](C)Nc1[nH+]c(C)cc(C)c1C(N)=S,C50889660_decoy,GLCM,Decoy,0,-9.01919,-5.51,-2.77,-5.193797823484749
CCC(CC)(C[NH3+])CN(C)c1ccc(O)cc1,C51211743_decoy,GLCM,Decoy,0,-7.52812,-7.1,-1.89,-6.068431968618923
CC(C)C[C@@H](C)[NH+](C)C[C@H](O)c1cccc(N)c1,C51327120_decoy,GLCM,Decoy,0,-6.14679,-6.89,-1.83,-4.87418318418381
CC(C)[NH+](C[C@@H](O)c1ccccc1N)CC(F)(F)F,C51327215_decoy,GLCM,Decoy,0,-5.56486,-7.13,-2.34,-4.7760889736618815
CC[C@H](C)C[C@H](C[NH3+])C(=O)NC(C)(C)C,C51690193_decoy,GLCM,Decoy,0,-6.06331,-4.13,-1.73,-3.2955802739491755
CCCNC(=[NH2+])N[C@H](C)c1ccc(C)s1,C52044823_decoy,GLCM,Decoy,0,-7.36812,-4.95,-2.32,-5.574633939595712
CC[C@@H](C)[C@@H](C)NC(=[NH2+])NC1CCCC1,C52048130_decoy,GLCM,Decoy,0,-6.84211,-5.53,-0.69,-6.38438824516019
CSc1cccc(NC(=[NH2+])NCC(C)C)c1,C52069155_decoy,GLCM,Decoy,0,-9.27994,-6.86,-0.85,-6.010881367129432
C[C@H](Cc1ccco1)[NH2+]C[C@](C)(N)c1ccccc1,C52883519_decoy,GLCM,Decoy,0,-6.44148,-7.01,-0.78,-6.908226707138749
CC(C)[NH+](CCNc1c(N)ccc(F)c1F)C(C)C,C53163438_decoy,GLCM,Decoy,0,-5.31403,-6.1,-0.93,-5.802175648101227
C[NH+](C)CCCCNc1c(N)ccc(F)c1F,C53167471_decoy,GLCM,Decoy,0,-6.27351,-5.59,-1.6,-4.574476485916013
Cc1cccc(CSCCCC(N)=[NH2+])c1,C54965777_decoy,GLCM,Decoy,0,-6.64141,-5.12,-2.04,-6.6620865266559575
COc1ccc(S[C@@H](CC(N)=[NH2+])c2ccccc2)cc1,C55024136_decoy,GLCM,Decoy,0,-7.20555,-5.4,-1.43,-4.588236750618836
Cc1ccccc1CS[C@H](CC(N)=[NH2+])c1ccccc1,C55024397_decoy,GLCM,Decoy,0,-6.56985,-6.26,-2.07,-5.113887444018153
CC(C)C[C@H]([NH3+])C(=O)NCCc1cc(F)cc(F)c1,C60718834_decoy,GLCM,Decoy,0,-7.0404,-7.17,-1.4,-5.729857397884685
CCC[C@H](CC)Nc1cc[nH+]c(C(N)=S)c1,C61813276_decoy,GLCM,Decoy,0,-8.43342,-4.98,-1.88,-7.152680646637816
C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])CC(C)(C)C,C61883561_decoy,GLCM,Decoy,0,-7.64559,-6.34,-0.69,-10.493265776703836
CCC[C@@H](C)CN(C)c1ccc(C(N)=[NH2+])cc1,C61951676_decoy,GLCM,Decoy,0,-9.413,-4.5,-3.23,-6.775417365882743
CC(C)CCCNC(=O)C1(C[NH3+])CCCC1,C62098459_decoy,GLCM,Decoy,0,-7.2019,-5.18,-0.24,-8.66555690242438
C[NH2+][C@@H](CCSc1ccc(Br)cc1)C(N)=O,C62596970_decoy,GLCM,Decoy,0,-7.75436,-6.14,-2.44,-9.737202547925753
CCCN(CCC)c1ccc(C(N)=[NH2+])cc1Cl,C62793917_decoy,GLCM,Decoy,0,-9.31951,-4.64,-2.62,-7.298333882301383
[NH3+]C[C@@H](CNCCC(F)(F)F)c1ccccc1,C63101400_decoy,GLCM,Decoy,0,-5.63249,-5.41,-0.96,-4.938798768217124
CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1,C04899589_decoy,GLCM,Decoy,0,-8.103,-6.03,-2.56,-6.634759398475114
C=C([NH3+])[C@H](C#N)C(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1,C06503092_decoy,GLCM,Decoy,0,-7.41731,-7.34,-2.52,-10.03342081295729
CC[NH+](CC)CCSc1nc(N)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c(=O)[nH]1,C10243321_decoy,GLCM,Decoy,0,-7.52629,-6.87,-3.41,-7.730629601251546
Cc1ccc(OC[C@@H](O)Cn2c(NCCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)cc1,C05460903_decoy,GLCM,Decoy,0,-8.89877,-6.88,-1.85,-9.13603265164482
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCC(N)=O,C16195365_decoy,GLCM,Decoy,0,-7.842,-6.79,-3.0,-5.821177731753833
CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC(C)(C)C,C08437899_decoy,GLCM,Decoy,0,-9.3864,-6.56,-2.47,-6.614642329140334
COCC[NH+](Cc1ccc(C(N)=O)cc1)Cc1ccc(C(N)=O)cc1,C28973454_decoy,GLCM,Decoy,0,-7.19887,-8.0,-2.75,-6.34983499793934
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1coc([C@@H]([NH3+])CC(C)C)n1,C33747325_decoy,GLCM,Decoy,0,-8.93298,-6.82,-3.56,-7.212150094594507
COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)NCCC[NH+](C)C)cc1,C34786018_decoy,GLCM,Decoy,0,-8.19389,-8.46,-2.01,-11.597366994434386
CCOC(=O)c1c(NC(=O)C[NH2+]C[C@H](O)CO)sc(C)c1C,C02075302_decoy,GLCM,Decoy,0,-8.40755,-6.57,-1.07,-9.94022029724348
CCOC(=O)CCCC[C@H](O)C1=NC(=O)N=C1CSC(N)=[NH2+],C05869252_decoy,GLCM,Decoy,0,-9.31282,-6.59,-3.17,-8.294764893635973
COc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1cccc(C)c1,C40744445_decoy,GLCM,Decoy,0,-7.08122,-6.63,-2.05,-6.601607683843022
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OC(C)C,C40744461_decoy,GLCM,Decoy,0,-7.26468,-7.1,-1.66,-6.9535865165956565
COC(=O)c1ccc(Nc2ncnc(NCCCn3cc[nH+]c3)c2N)cc1,C40782939_decoy,GLCM,Decoy,0,-5.94103,-7.22,-2.04,-6.0014800489985465
NC(=O)c1ccc(Nc2nc(NCCCn3cc[nH+]c3)nc(N)c2[N+](=O)[O-])cc1,C41300905_decoy,GLCM,Decoy,0,-5.40291,-7.9,-1.95,-6.335145393724402
CC(C)[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1CC(N)=O,C41716951_decoy,GLCM,Decoy,0,-6.182,-6.71,-1.15,-7.129975793869376
COCC[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1,C41923421_decoy,GLCM,Decoy,0,-7.26514,-6.98,-3.35,-6.5093374778334665
CCC(CC)[C@H](CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1,C42953314_decoy,GLCM,Decoy,0,-8.61406,-7.49,-2.35,-6.780262182360255
NC(=O)[C@@H](CCCC[NH3+])NC(=O)COc1cccc2cccnc12,C33859796_decoy,GLCM,Decoy,0,-7.41112,-7.13,-1.15,-8.477789580932635
NC(=O)[C@@H](CCCC[NH3+])NC(=O)COc1ccc(Cl)c2cccnc12,C33861285_decoy,GLCM,Decoy,0,-8.20624,-7.3,-3.42,-7.214438265332778
NC(=O)[C@@H]1CCCN1C(=O)c1csc([C@@H]([NH3+])CCCCNC(=O)OCc2ccccc2)n1,C43209438_decoy,GLCM,Decoy,0,-9.40364,-6.81,-4.68,-6.662992760621116
C[C@@H]([NH3+])c1nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)co1,C43216337_decoy,GLCM,Decoy,0,-8.2724,-7.84,-2.35,-7.157612135252231
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1coc([C@@H]([NH3+])[C@H](C)O)n1,C43218188_decoy,GLCM,Decoy,0,-8.76445,-7.61,-2.17,-10.608181376851288
C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C(N)=O)ccc1OC)C(C)C,C45644558_decoy,GLCM,Decoy,0,-8.37525,-7.1,-2.75,-7.997051076484568
C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1OCCC(N)=O)C(C)C,C47878200_decoy,GLCM,Decoy,0,-8.69048,-6.81,-2.95,-6.205079955539379
N/C(=N\CCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1)N[N+](=O)[O-],C19898917_decoy,GLCM,Decoy,0,-7.31008,-6.67,-0.71,-8.009426140653849
CN(C1=NC(=O)[C@@H](N(C)C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[N-]1)c1ccccn1,C26579550_decoy,GLCM,Decoy,0,-7.54473,-7.65,-2.44,-8.461287061255135
CCOC(=O)Nc1cc(NC(c2ccc(OC)cc2)c2ccc(OC)cc2)c(N)c(N)[nH+]1,C01715649_decoy,GLCM,Decoy,0,-9.52576,-8.61,-4.98,-8.261389646355497
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)NCCc2c[nH]c[nH+]2)n1,C14156529_decoy,GLCM,Decoy,0,-9.21397,-8.23,-1.88,-8.92528188695495
Cc1n[nH]c(C)c1CCC[NH2+]Cc1cn(CCC(N)=O)c2ccccc12,C55118748_decoy,GLCM,Decoy,0,-7.68191,-7.85,-2.14,-8.143693786082741
Cc1cc(OCC(N)=O)ccc1NC(=O)NCCC[NH+](C)Cc1ccccc1,C56710509_decoy,GLCM,Decoy,0,-5.9931,-7.6,-2.94,-5.639875861396199
CSCC[C@H](NC(N)=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1,C57288307_decoy,GLCM,Decoy,0,-10.6639,-6.74,-4.81,-10.951713270948655
CC[NH+](CC)[C@H](CNC(=O)[C@@H](CCSC)NC(N)=O)c1ccccc1Cl,C57288835_decoy,GLCM,Decoy,0,-9.60884,-6.43,-1.89,-9.17203303068554
COc1ccc([C@H](CNC(=O)Nc2ccc(OCC(N)=O)cc2)[NH+](C)C)cc1,C58172589_decoy,GLCM,Decoy,0,-6.98273,-7.71,-3.64,-6.609284257114284
COc1cc(NCC[NH2+]CCOc2nonc2N)ccc1[N+](=O)[O-],C59384062_decoy,GLCM,Decoy,0,-5.88826,-5.78,-3.63,-6.772650173120328
COc1ccc([C@@H](CNC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)C2=c3ccccc3=[NH+]C2)cc1,C63112036_decoy,GLCM,Decoy,0,-7.62343,-8.07,-3.75,-7.728075650155614
COc1ccc(NC(=[NH2+])SCc2cccc(OCC(N)=O)c2)cc1,C63897439_decoy,GLCM,Decoy,0,-7.64617,-6.32,-1.78,-6.4989814905180765
COc1ccc(N2N[NH2+]N[C@H]2SCC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])cc1,C64684168_decoy,GLCM,Decoy,0,-7.69777,-9.24,-3.53,-9.002189448071313
CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)NCCCn1cc[nH+]c1,C64885188_decoy,GLCM,Decoy,0,-6.68101,-6.94,-2.95,-6.553543710699239
CCCc1c(C(=O)NNC(=O)NCCCn2cc[nH+]c2)[nH]c(C)c1C(C)=O,C64885856_decoy,GLCM,Decoy,0,-6.25382,-7.04,-3.11,-6.536951995451887
Cc1[nH]c(C(=O)NNC(=O)NCCCn2cc[nH+]c2)c(C)c1C(=O)OC(C)C,C64886583_decoy,GLCM,Decoy,0,-6.55341,-5.84,-3.37,-6.138998756563687
COc1cccc(OC[C@H](O)CNc2nc(CC[NH3+])nc3ccccc23)c1,C65374865_decoy,GLCM,Decoy,0,-8.44616,-8.15,-2.18,-7.51054224948447
COc1cccc(OC[C@@H](O)CNc2nc(CC[NH3+])nc3ccccc23)c1,C65374867_decoy,GLCM,Decoy,0,-8.22082,-7.58,-4.67,-8.07708881724802
COc1cc(C[NH+]2CCNC(=O)[C@H]2CC(=O)NN)ccc1OCCC(C)C,C66115406_decoy,GLCM,Decoy,0,-8.52565,-6.87,-2.08,-8.013700934807703
CC[C@@H](C)[NH+](C)CCNC(=O)Nc1ccccc1SCC(N)=O,C66176088_decoy,GLCM,Decoy,0,-7.54757,-6.76,-2.47,-7.688814765276038
COc1ccc(CCNC(=[NH2+])NCCNc2ncccc2C(F)(F)F)cc1,C66244000_decoy,GLCM,Decoy,0,-8.35296,-7.16,-1.86,-6.779167177913227
CCCC[C@H](NC(N)=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,C66731870_decoy,GLCM,Decoy,0,-7.54131,-7.09,-3.39,-7.309815802403778
C[NH+](C)CCNC(=O)c1cccc(CN[C@H](C(N)=O)c2ccc(F)cc2)c1,C66964202_decoy,GLCM,Decoy,0,-7.813,-6.9,-5.44,-9.841200018083905
CCNC(=O)[C@@H](C)NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,C67086126_decoy,GLCM,Decoy,0,-7.06107,-7.54,-2.98,-6.909040020975516
CC[NH+](CC)[C@@H](CNC(=O)[C@H](CCSC)NC(N)=O)c1ccco1,C67276521_decoy,GLCM,Decoy,0,-9.43005,-6.33,-3.57,-8.680638530992823
Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC(C)(C)O)cc1C,C15065940_decoy,GLCM,Decoy,0,-6.62105,-7.3,-1.23,-6.807400086971651
CCCC[C@H](CC)COCc1ccc(C(N)=[NH2+])cc1F,C20516745_decoy,GLCM,Decoy,0,-9.53293,-4.72,-1.98,-6.596885162759663
CC(C)(CO)[NH2+]C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2,C26781259_decoy,GLCM,Decoy,0,-8.20947,-7.77,-2.41,-11.04281734488108
C=CCc1cc([C@@H](C[NH3+])N(CC)c2ccccc2)cc(OC)c1O,C33463300_decoy,GLCM,Decoy,0,-7.66547,-5.78,-2.04,-6.11490283194898
CC(C)C[NH+](CC[C@H](O)c1cccc(N)c1)CC(C)C,C36276204_decoy,GLCM,Decoy,0,-6.27818,-5.7,-3.15,-4.531093618519079
CC[NH+](CC)CCC[C@H](C)Nc1ccc(C(N)=S)cc1F,C36887202_decoy,GLCM,Decoy,0,-7.56416,-6.87,-1.91,-11.137115875412912
CC[NH+](CC)CCC[C@H](C)Nc1ccc(N)cc1C,C37371748_decoy,GLCM,Decoy,0,-6.68042,-6.59,-1.62,-5.36271949416477
CC(C)CCC[C@H](C)/[NH+]=C(\N)SCc1nc2ccccc2c(=O)[nH]1,C07328530_decoy,GLCM,Decoy,0,-7.76233,-6.25,-4.06,-4.347127152594893
Cc1cc(OC[C@@H](O)C[NH2+][C@H](CO)CC(C)C)ccc1Cl,C40777002_decoy,GLCM,Decoy,0,-7.90708,-6.86,-5.05,-8.22833930969928
CC(C)C[C@H](CO)[NH2+]C[C@H](O)COc1cccc(Br)c1,C40777768_decoy,GLCM,Decoy,0,-8.10716,-6.43,-3.61,-7.102893599119371
CCC(CC)N(CCO)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+],C43093354_decoy,GLCM,Decoy,0,-7.38041,-5.23,-3.32,-4.652399958997466
CC[NH+](CC)CCC[C@@H](C)Nc1ccc(N)cc1Br,C43596616_decoy,GLCM,Decoy,0,-6.75909,-6.44,-2.08,-6.708093756451843
C[C@@](CCCCOC1CCCCCC1)([NH2+]C1CC1)C(N)=O,C45464821_decoy,GLCM,Decoy,0,-7.58514,-6.61,-1.52,-8.646204340420569
CCCC[C@@H](CC)COC[C@@](C)([NH2+]CC)C(N)=O,C45474433_decoy,GLCM,Decoy,0,-7.12345,-5.86,-1.2,-10.02781116355019
CCC[NH2+][C@](C)(CCO[C@H]1CCCC[C@@H]1CC)C(N)=O,C45475444_decoy,GLCM,Decoy,0,-8.06338,-6.72,-4.8,-9.353442765845475
CC[C@H]1CCCC[C@@H]1OCCCC[C@](C)([NH2+]C)C(N)=O,C45475522_decoy,GLCM,Decoy,0,-8.39914,-6.87,-2.5,-7.836462561470746
CCC[NH2+][C@@H](CO[C@@H]1CCCC[C@@H]1CC)C(N)=O,C45475657_decoy,GLCM,Decoy,0,-7.48872,-6.62,-1.72,-8.021696625727687
CC[NH2+][C@@](C)(CCCCO[C@H]1CCCC[C@@H]1C)C(N)=O,C45477933_decoy,GLCM,Decoy,0,-7.46532,-6.74,-2.66,-8.579091827589325
CC[NH2+][C@H](COc1ccc(OC)cc1C(C)(C)C)C(N)=O,C45508688_decoy,GLCM,Decoy,0,-7.36085,-6.46,-0.76,-9.297190260061804
CCC[NH2+][C@@](C)(COc1ccc(C(C)(C)C)cc1)C(N)=O,C45514394_decoy,GLCM,Decoy,0,-7.57405,-6.62,-3.66,-6.021644383923219
Cc1cccc(OCCCC[C@](C)([NH2+]C2CC2)C(N)=O)c1,C45516395_decoy,GLCM,Decoy,0,-7.55917,-6.64,-1.37,-5.836652458761535
CCCOc1ccc(OC[C@@](C)([NH2+]C(C)C)C(N)=O)cc1,C45520182_decoy,GLCM,Decoy,0,-7.33413,-5.39,-0.8,-5.284204748160482
C[C@@](CCCCSc1ccccc1F)([NH2+]C1CC1)C(N)=O,C45557949_decoy,GLCM,Decoy,0,-7.99399,-5.87,-1.55,-5.935572254214525
CCC[NH2+][C@@](C)(CCCSc1ccc(F)cc1)C(N)=O,C45559022_decoy,GLCM,Decoy,0,-7.07483,-6.98,-3.76,-8.591310022346276
CC[NH2+][C@@](C)(CCCCSc1ccc(F)cc1)C(N)=O,C45559158_decoy,GLCM,Decoy,0,-7.61402,-5.97,-1.93,-9.370515579551473
CCC[NH2+][C@](C)(CCCSc1cc(F)ccc1F)C(N)=O,C45590994_decoy,GLCM,Decoy,0,-7.23533,-6.59,-3.43,-8.198933901240803
C[C@@]([NH2+]CCC[NH2+]C1CC1)(C(=O)[O-])c1cc(Cl)ccc1Cl,C48845401_decoy,GLCM,Decoy,0,-7.4729,-6.04,-2.85,-7.479736036633679
CC(C)CCC[C@H](C)NS(=O)(=O)Cc1cccc(C[NH3+])c1,C49146452_decoy,GLCM,Decoy,0,-6.78432,-5.72,-4.27,-5.080102958106711
CCC(CC)NC(=O)COc1c(Cl)cc(Cl)cc1CC[NH3+],C49286630_decoy,GLCM,Decoy,0,-8.45768,-5.82,-2.54,-8.579599120325751
CCOC(=O)c1cc(N)ccc1N[C@H](C)CC[NH+](C)C,C49562048_decoy,GLCM,Decoy,0,-7.03279,-6.21,-1.35,-7.005397196297942
CCC[C@H](CC)NS(=O)(=O)Cc1ccc(C[NH3+])cc1,C50403250_decoy,GLCM,Decoy,0,-6.86717,-5.0,-2.27,-8.178047705371663
CC(C)C[C@H](C)OC[C@@H](O)C[NH2+][C@@]1(CO)CCC[C@@H](C)C1,C53125835_decoy,GLCM,Decoy,0,-7.35815,-6.23,-1.22,-6.757382626183553
C[NH2+][C@@](C)(CCCCSc1cccc(Cl)c1)C(N)=O,C54186421_decoy,GLCM,Decoy,0,-8.01285,-4.81,-1.91,-5.273064864429594
CC[NH2+][C@](C)(CCCCSc1cccc(Cl)c1)C(N)=O,C54186425_decoy,GLCM,Decoy,0,-8.6002,-6.36,-3.23,-10.591243779115254
CCC[NH2+][C@](C)(CCCSc1cccc(Cl)c1)C(N)=O,C54186471_decoy,GLCM,Decoy,0,-8.53318,-6.19,-2.4,-10.396272322925393
CC[NH2+][C@@](C)(CCCCS[C@@H]1CCC[C@H](C)C1)C(N)=O,C54695610_decoy,GLCM,Decoy,0,-8.27667,-6.16,-2.72,-8.646580717604326
COc1ccc([C@H](O)CC[NH+](CC(C)C)CC(C)C)cc1N,C57662582_decoy,GLCM,Decoy,0,-8.14102,-6.78,-3.95,-5.982037429279556
CC(C)C[NH+](CC[C@@H](O)c1ccc(F)c(N)c1)CC(C)C,C57663426_decoy,GLCM,Decoy,0,-7.1821,-6.56,-2.04,-5.642446510647497
CC(C)COc1ccc(/C=C\C(=O)NCCC[NH+](C)C)cc1N,C57896630_decoy,GLCM,Decoy,0,-7.87936,-6.78,-5.02,-7.181833114876343
COc1ccc([C@@H](C[NH3+])N(CC(C)C)CC(C)C)c(O)c1,C32056463_decoy,GLCM,Decoy,0,-7.33915,-5.05,-5.37,-4.414795853100603
CC(C)CN(CC(C)C)[C@H](C[NH3+])c1ccc(O)c([N+](=O)[O-])c1,C32075702_decoy,GLCM,Decoy,0,-6.93209,-7.11,-3.32,-8.33938952326306
CCC(C)(C)NC(=O)CN(CCC[NH3+])C1CCCCC1,C49281638_decoy,GLCM,Decoy,0,-7.40296,-5.82,-1.27,-9.120284434138185
CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(CCCO)C(C)C,C43052633_decoy,GLCM,Decoy,0,-7.36142,-4.54,-2.97,-3.876683304855836
CCCN(CC(=O)N[C@@H](C)C(C)C)C1(C[NH3+])CCCC1,C50090562_decoy,GLCM,Decoy,0,-7.16647,-6.23,-1.11,-7.381083207919484
CCCN[C@H](CC[NH+](C)[C@@H](C)CC(C)C)C(N)=O,C62524151_decoy,GLCM,Decoy,0,-7.2328,-5.97,-2.69,-7.0888279017805615
CC[NH2+][C@@H](CCO[C@H]1CCCC[C@@H]1CC)C(N)=O,C62543244_decoy,GLCM,Decoy,0,-7.37714,-6.37,-1.01,-9.7617529563493
CC[C@H]1CCCC[C@@H]1OCC[C@H]([NH2+]C(C)C)C(N)=O,C62543299_decoy,GLCM,Decoy,0,-7.73759,-6.1,-1.68,-5.737498018348789
CC(C)[NH2+][C@H](CCOc1cccc(C(C)C)c1)C(N)=O,C62548082_decoy,GLCM,Decoy,0,-8.04404,-6.91,-2.33,-9.669274400450664
CCC[NH2+][C@H](CCOc1ccc2ccccc2c1)C(N)=O,C62550724_decoy,GLCM,Decoy,0,-7.38106,-6.43,-2.25,-8.430835476584466
CC(C)[NH+](CCNC(=O)NNC(=O)CC1CCCCC1)C(C)C,C67381345_decoy,GLCM,Decoy,0,-6.82825,-6.15,-2.33,-6.084407175428043
Cc1cc(OCCCCOc2ccc(C(N)=[NH2+])cc2)ccc1N,C01749408_decoy,GLCM,Decoy,0,-10.2423,-5.81,-1.87,-6.963557311752262
CC(C)COc1ccc(COCCNC(N)=[NH2+])cc1,C05380654_decoy,GLCM,Decoy,0,-7.67053,-6.65,-1.49,-7.805540383521735
CC(C)(C)C1CCC([NH2+]CCCCCc2n[nH]c(N)c2C#N)CC1,C09378236_decoy,GLCM,Decoy,0,-7.92741,-6.87,-2.09,-7.069820640372903
Cc1nc(NCCCCCC[NH3+])[nH]c(=O)c1CC(C)C,C16808733_decoy,GLCM,Decoy,0,-6.79893,-6.36,-1.62,-10.17693993461331
CCC[NH2+]Cc1cc(OC)ccc1OCC(=O)NC(N)=O,C34656013_decoy,GLCM,Decoy,0,-6.00973,-6.61,-2.27,-6.893846124609084
CCCOc1ccc(C[NH3+])c(OCCC(N)=O)c1,C35413866_decoy,GLCM,Decoy,0,-8.17395,-6.0,-1.23,-7.159779072844006
C[NH+](CCCOc1cccc(C(N)=S)c1)CC(N)=O,C37268605_decoy,GLCM,Decoy,0,-7.13607,-6.85,-2.82,-9.398290701271154
CNC(=O)C[NH+](C)C[C@H](O)COc1cccc(C(N)=S)c1,C37270853_decoy,GLCM,Decoy,0,-7.76519,-5.87,-2.15,-9.379551265526512
CCCCn1c(N)c(NCC[NH+](CC)CC)c(=O)[nH]c1=O,C37486176_decoy,GLCM,Decoy,0,-7.0325,-7.02,-0.89,-13.074017042044764
CCOc1cc(CC[NH3+])cc(Br)c1OC[C@@H](C)C(N)=O,C37719932_decoy,GLCM,Decoy,0,-7.68808,-4.58,-1.69,-6.329318567876562
CCCOc1ccc(C[C@H](C)[NH3+])c(OC[C@H](C)C(N)=O)c1,C37722257_decoy,GLCM,Decoy,0,-8.17462,-5.97,-1.78,-7.632255889790353
CC[C@H]([NH3+])Cc1cccc(OC)c1OC[C@H](C)C(N)=O,C37727972_decoy,GLCM,Decoy,0,-5.84976,-6.73,-2.25,-7.967451219855774
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)cc1,C02599970_decoy,GLCM,Decoy,0,-8.55851,-8.81,-2.31,-13.23093224055228
CC[C@H]1CCCC[C@H]1OC[C@H](O)C[NH2+][C@@H](C)C(N)=O,C37890810_decoy,GLCM,Decoy,0,-6.76046,-5.42,-1.41,-6.7752711327385455
Cc1cc(OC[C@H](O)C[NH2+]CCC(N)=O)ccc1Cl,C37891569_decoy,GLCM,Decoy,0,-7.23438,-6.42,-2.11,-9.838120809358822
CCc1ccc(Nc2ncnc(NCCCn3cc[nH+]c3)c2N)cc1,C40688583_decoy,GLCM,Decoy,0,-6.46559,-7.31,-1.83,-9.126775674321255
C[C@H](Nc1ncnc(NCCCn2cc[nH+]c2)c1N)c1ccccc1,C40760618_decoy,GLCM,Decoy,0,-6.50935,-6.66,-2.63,-6.425634684520792
Nc1c(NCCCn2cc[nH+]c2)ncnc1Nc1cccc(C(F)(F)F)c1,C40781997_decoy,GLCM,Decoy,0,-5.23716,-6.84,-2.15,-6.93172366463763
CC(C)[NH+](CCO)C[C@@H](O)COc1cccc(C(N)=S)c1,C42479400_decoy,GLCM,Decoy,0,-8.77978,-6.86,-2.56,-8.344375467084488
CCC(CC)[NH+](CCO)Cc1ccc(/C(N)=N/O)cc1,C42507536_decoy,GLCM,Decoy,0,-7.26692,-7.3,-3.11,-6.1894616057567164
CC(C)C[NH+](CCCOc1cccc(N)c1)CC(N)=O,C42690859_decoy,GLCM,Decoy,0,-6.79528,-6.52,-3.75,-10.683395759367183
COc1ccccc1[C@H]([C@@H](C)[NH3+])N(CC(N)=O)CC(C)C,C43098553_decoy,GLCM,Decoy,0,-7.10972,-6.62,-4.05,-9.435528583790529
CC[C@H](N)[C@@H](c1ccc(Cl)s1)[NH+](CCO)CCO,C43253110_decoy,GLCM,Decoy,0,-6.9355,-4.31,-3.05,-4.302132842201508
CCCC[C@H](CC)C[NH+](CC(N)=O)Cc1ccc(N)cc1,C43455385_decoy,GLCM,Decoy,0,-6.84089,-5.57,-3.47,-6.77555427864781
N[C@@H](C[NH3+])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1,C44469106_decoy,GLCM,Decoy,0,-7.6465,-6.2,-2.34,-6.01955508877383
CCCCN(CC(N)=O)C(=O)C(C[NH3+])(CCC)CCC,C44807940_decoy,GLCM,Decoy,0,-5.97282,-4.58,-5.07,-5.487660156849045
CCC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)/C(N)=N/O,C44862900_decoy,GLCM,Decoy,0,-6.4612,-6.39,-1.1,-5.4154313441214805
C[C@@]([NH3+])(CCCCOc1ccc([N+](=O)[O-])cc1F)C(N)=O,C45464408_decoy,GLCM,Decoy,0,-7.08306,-7.67,-1.12,-11.241602619545493
CCCC[C@@H](CC)COCCC[C@](C)([NH3+])C(N)=O,C45474627_decoy,GLCM,Decoy,0,-7.83715,-5.4,-0.91,-9.38470650217154
CC[C@@H]1CCCC[C@H]1OCCCC[C@](C)([NH3+])C(N)=O,C45475515_decoy,GLCM,Decoy,0,-7.57287,-6.54,-3.68,-7.696310815698189
CCC(C)(C)c1ccc(OCCC[C@](C)([NH3+])C(N)=O)cc1,C45515099_decoy,GLCM,Decoy,0,-8.72227,-7.76,-0.75,-11.024865631414984
CC(C)(C)c1cccc(OCCCC[C@](C)([NH3+])C(N)=O)c1,C45542581_decoy,GLCM,Decoy,0,-7.99914,-7.13,-2.5,-7.337691517129385
COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)ccc1OCC(C)C,C47609248_decoy,GLCM,Decoy,0,-7.575,-7.81,-3.97,-9.127941368437169
CCCC[NH+](CCO)Cc1ccc(/C(N)=N/O)cc1F,C49012119_decoy,GLCM,Decoy,0,-7.69845,-6.97,-2.15,-5.581720871068986
NC(=O)C[NH+](CCOCC(F)(F)F)Cc1ccccc1N,C49311288_decoy,GLCM,Decoy,0,-5.13783,-5.85,-3.24,-6.008630231444634
CCCC(C[NH3+])(CCC)C(=O)NCCCc1cn[nH]c1C,C50183013_decoy,GLCM,Decoy,0,-7.9227,-6.92,-1.57,-7.990321540936831
C[C@]([NH3+])(CCCCOc1ccc(F)cc1[N+](=O)[O-])C(N)=O,C52066030_decoy,GLCM,Decoy,0,-6.93753,-6.43,-3.0,-10.180188554939992
CCC[C@H](C(=O)NCC[NH+](C)C(C)C)/C(N)=N/O,C54109676_decoy,GLCM,Decoy,0,-6.27087,-6.17,-1.59,-5.230035493576539
CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1,C55161664_decoy,GLCM,Decoy,0,-7.47448,-6.54,-2.8,-6.937262291987285
Cc1cc(OCC(N)=O)ccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C,C56710726_decoy,GLCM,Decoy,0,-7.52835,-6.22,-3.34,-5.380588425388303
CC[NH+](CCO)CC[C@H](O)c1ccc(OCC(C)C)c(N)c1,C57663174_decoy,GLCM,Decoy,0,-8.13933,-7.21,-1.5,-10.385730853308054
COc1ccc(CCC[NH2+]CCc2c[nH]c3ccccc23)cc1N,C57899678_decoy,GLCM,Decoy,0,-7.08584,-7.48,-1.81,-10.487534331507725
CC(C)C[NH+](CCOc1ccccc1N)CC(N)=O,C42690856_decoy,GLCM,Decoy,0,-6.46813,-6.79,-1.86,-9.604859930269464
CC[C@H]([NH3+])[C@@H](c1ccco1)N(CC(N)=O)CC(C)C,C43336263_decoy,GLCM,Decoy,0,-6.85307,-6.23,-2.08,-8.213791737753713
CSCC[C@@H](NC(N)=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1,C59990036_decoy,GLCM,Decoy,0,-9.45208,-6.9,-2.56,-8.304841840075328
CCC[NH2+][C@@](C)(CSc1n[nH]c(=O)n1CCC)C(N)=O,C61607915_decoy,GLCM,Decoy,0,-7.58176,-5.72,-1.3,-6.451014579789088
CC(C)[NH2+][C@H](CCSc1n[nH]c(=O)n1C(C)C)C(N)=O,C62605145_decoy,GLCM,Decoy,0,-6.97146,-6.69,-1.61,-7.178083903444846
Cc1cc(C)cc(NC(=[NH2+])SCc2cccc(OCC(N)=O)c2)c1,C63897446_decoy,GLCM,Decoy,0,-7.16448,-7.18,-1.67,-6.503168683405871
CCOC(=O)N[C@H](CN/C(N)=[NH+]/C[C@H]1CCCO1)CC(C)C,C66245571_decoy,GLCM,Decoy,0,-8.00562,-6.47,-2.23,-10.452609059731264
N/C(NCCNC(=O)CC1CCCC1)=[NH+]/Cc1ccco1,C66246369_decoy,GLCM,Decoy,0,-7.9269,-5.93,-2.09,-6.1048618152941145
CSCC[C@H]([NH3+])C(=O)NNC(=O)OC(C)(C)C,C01606812_decoy,GLCM,Decoy,0,-8.23749,-5.74,-3.29,-6.007351552366354
CC[C@@H]([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(Br)cc1,C08130107_decoy,GLCM,Decoy,0,-8.82572,-7.49,-3.63,-8.421548188611194
COc1ccc(C[C@@H](C[NH3+])C(N)=O)c(OC)c1OC,C20579926_decoy,GLCM,Decoy,0,-7.84456,-6.72,-1.15,-11.958541811909637
CCCNC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])[C@@H](C)CC,C37017704_decoy,GLCM,Decoy,0,-7.08213,-6.3,-0.96,-7.525343114216436
COc1cc(OC)c(C[C@H](C[NH3+])C(N)=O)c(OC)c1,C37376602_decoy,GLCM,Decoy,0,-6.1076,-5.36,-3.6,-4.466904250140042
COc1ccc([C@@H]([NH3+])CCCCC(N)=O)c(Cl)c1,C37637042_decoy,GLCM,Decoy,0,-7.99047,-6.07,-4.32,-5.185077110756737
COc1cc(CC[NH3+])cc(OC)c1O[C@H](C)C(N)=O,C37722013_decoy,GLCM,Decoy,0,-6.75799,-5.46,-2.03,-8.314185313828894
CC[C@H]([NH3+])Cc1ccccc1OC[C@@H](C)C(N)=O,C37724810_decoy,GLCM,Decoy,0,-6.12987,-5.42,-1.81,-5.017537356927944
COc1cccc(C[C@H](C)[NH3+])c1OCCC(N)=O,C37727802_decoy,GLCM,Decoy,0,-6.28326,-6.05,-1.17,-6.883364755552102
COc1cccc(C[C@H](C)[NH3+])c1OC[C@@H](C)C(N)=O,C37727804_decoy,GLCM,Decoy,0,-6.33667,-6.29,-1.05,-7.173393882850162
COc1ccc(C[C@H](C)[NH3+])cc1OC[C@@H](C)C(N)=O,C37728208_decoy,GLCM,Decoy,0,-7.95363,-4.71,-0.89,-5.554874162858969
COc1ccc(C[C@H](C)[NH3+])cc1OC[C@H](C)C(N)=O,C37728210_decoy,GLCM,Decoy,0,-7.82835,-7.32,-1.38,-7.944780323780252
COc1cc(C[C@@H](C)[NH3+])cc(OC)c1O[C@@H](C)C(N)=O,C37728727_decoy,GLCM,Decoy,0,-6.96957,-5.59,-1.29,-6.686620572787692
CCCN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@H](C)c1ccccc1Br,C37814973_decoy,GLCM,Decoy,0,-7.8767,-6.06,-1.95,-10.08195224936611
CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C,C37818945_decoy,GLCM,Decoy,0,-6.74272,-5.82,-4.68,-5.150101122540902
CC(C)C[C@@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C,C37818953_decoy,GLCM,Decoy,0,-6.92146,-6.12,-3.78,-5.568283633258698
Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C(N)=O)cc1,C37890715_decoy,GLCM,Decoy,0,-6.2809,-7.46,-1.42,-8.885761746374783
C[C@@H]([NH2+]C[C@H](O)COc1cccc(C#N)c1)C(N)=O,C37891217_decoy,GLCM,Decoy,0,-7.15855,-7.22,-2.46,-9.80397684415743
C[NH+](CCO)C[C@H](O)COc1ccc(N)cc1,C37899150_decoy,GLCM,Decoy,0,-6.63272,-5.69,-1.34,-9.80436096845351
C[NH+](CCO)C[C@H](O)COc1cccc(N)c1,C37899152_decoy,GLCM,Decoy,0,-7.29955,-6.32,-1.64,-9.421015008886858
CC(C)[NH+](CCN[C@@H](C)C(=O)NC(N)=O)C(C)C,C20309645_decoy,GLCM,Decoy,0,-6.55772,-6.12,-2.54,-4.956258823145034
NC(=S)c1ccc(C[NH+](CCO)CCO)c(F)c1,C40750716_decoy,GLCM,Decoy,0,-7.55516,-6.73,-2.82,-9.672640690392344
COC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H](C)C(N)=O)cc1,C41041617_decoy,GLCM,Decoy,0,-7.33074,-4.79,-0.58,-5.662902206335466
OCC[NH+](CCO)CC[C@H](O)c1ccc2c(c1)CCCN2,C41147824_decoy,GLCM,Decoy,0,-7.28097,-6.78,-1.29,-9.521921949606533
CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O,C42212409_decoy,GLCM,Decoy,0,-6.87597,-6.69,-1.98,-8.48509205615206
CC[C@H](CC(N)=S)[NH+](CC(N)=O)C1CCCC1,C42428991_decoy,GLCM,Decoy,0,-6.59884,-5.97,-1.13,-7.255541237950165
CCC[NH+](CCO)Cc1cccc(/C(N)=N/O)c1,C42452806_decoy,GLCM,Decoy,0,-6.93498,-6.9,-1.5,-5.682535485223878
COC[C@@H](O)C[NH+](C)C[C@H](O)c1ccc(C(N)=S)cc1,C42506154_decoy,GLCM,Decoy,0,-6.62581,-6.94,-2.6,-12.183653253857878
N/C(CCC[NH+](CCO)C1CCCCC1)=N/O,C42507629_decoy,GLCM,Decoy,0,-6.99364,-7.48,-1.06,-12.481445184205295
CCNC(=O)NC(=O)[C@@H](C)[NH+](CCC(N)=S)C(C)C,C42529343_decoy,GLCM,Decoy,0,-7.51541,-5.87,-2.6,-7.337807354990916
[NH3+]C[C@@H](c1ccc(Br)cc1)N(CCO)CCO,C42954082_decoy,GLCM,Decoy,0,-8.74598,-6.55,-1.3,-10.437553261826888
CC(C)C[C@@H]([NH3+])c1nc(C(=O)N[C@H](CO)C(C)C)cs1,C43209522_decoy,GLCM,Decoy,0,-9.39813,-6.1,-2.19,-7.834742344228438
Cn1nc(C(F)(F)F)c([C@H]([NH3+])CC(N)=O)c1SCc1ccc(Cl)cc1,C44253914_decoy,GLCM,Decoy,0,-8.64679,-7.65,-3.37,-9.561136676215236
CCOCc1cc(Cl)c(OCC2CC2)c([C@H](N)C[NH3+])c1,C44474847_decoy,GLCM,Decoy,0,-7.47753,-5.24,-1.54,-4.834066656991371
CCOc1c(Cl)cc(COCC2CC2)cc1[C@H](N)C[NH3+],C44474946_decoy,GLCM,Decoy,0,-7.1876,-4.65,-0.78,-4.023856770115176
COc1ccc(C[NH2+]CCCS(N)(=O)=O)c(O)c1,C45070439_decoy,GLCM,Decoy,0,-7.79689,-7.07,-1.37,-6.260341760512223
CC[C@H]1COCCN1CCCC[C@](C)([NH3+])C(N)=O,C45418910_decoy,GLCM,Decoy,0,-7.95443,-6.24,-0.95,-7.578836239287348
C[C@]([NH3+])(CCCCOC[C@H]1CCOC1)C(N)=O,C45467591_decoy,GLCM,Decoy,0,-7.76668,-6.33,-1.24,-8.667244340121885
CC(C)[NH2+][C@@](C)(CCSc1ncn[nH]1)C(N)=O,C45557079_decoy,GLCM,Decoy,0,-6.96968,-6.33,-1.43,-7.281064074265057
Cn1cnnc1SCCCC[C@](C)([NH3+])C(N)=O,C45584380_decoy,GLCM,Decoy,0,-7.62421,-5.81,-1.78,-9.709977945913671
Cn1cc(SCCCC[C@](C)([NH3+])C(N)=O)cn1,C45597796_decoy,GLCM,Decoy,0,-8.1995,-5.57,-2.08,-8.331554377095806
NC(=O)C[NH+](CCC1CCCCC1)CC(N)=O,C47614483_decoy,GLCM,Decoy,0,-7.48519,-6.0,-1.32,-7.423889899987593
CCC[NH+](CCO)Cc1c(C)nn(C)c1NN,C51145200_decoy,GLCM,Decoy,0,-5.86152,-6.3,-1.65,-6.936310232534479
Cc1nn(C)c(NN)c1C[NH+](CCCO)C(C)C,C51146280_decoy,GLCM,Decoy,0,-6.48318,-6.59,-2.95,-8.135337569136928
COC[C@H](O)C[NH+](C)C[C@H](O)c1cccc(N)c1,C51327089_decoy,GLCM,Decoy,0,-6.80955,-6.98,-2.87,-8.654857240770632
CCNC(=O)NC(=O)[C@H](C)N(CC)C[C@@H](C)C[NH3+],C42442781_decoy,GLCM,Decoy,0,-6.44767,-5.95,-2.27,-8.199906660014536
[NH3+]C[C@H](c1ccc(Cl)s1)N(CCO)CCO,C43253107_decoy,GLCM,Decoy,0,-9.35535,-4.11,-4.06,-5.851343380720992
CC(C)Oc1ccc([C@H]([NH3+])C[C@H](C)CC(N)=O)cc1,C61830149_decoy,GLCM,Decoy,0,-7.04213,-7.05,-4.71,-4.469381042064035
COc1cc(Cl)c([C@@H]([NH3+])C[C@H](C)CC(N)=O)cc1OC,C61830331_decoy,GLCM,Decoy,0,-8.98618,-6.07,-1.29,-6.156651331833869
COCCC[NH+](C)Cc1ccc(C(N)=O)cc1N,C62029150_decoy,GLCM,Decoy,0,-7.17413,-5.07,-2.77,-3.946491205467362
CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O,C04556649_decoy,GLCM,Decoy,0,-8.47752,-6.83,-3.0,-10.831630008823051
C[C@H](O)[C@H]([NH3+])C(=O)NCCc1nc(-c2nc(C(=O)NCCCBr)cs2)cs1,C01572156_decoy,GLCM,Decoy,0,-10.5101,-6.67,-1.97,-9.073819055517715
COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCC(N)=O,C05206395_decoy,GLCM,Decoy,0,-7.35192,-4.74,-3.29,-6.602859295149295
N#CCc1ccc([C@H](C#N)/C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=N\NC(=O)NN)cc1,C05891712_decoy,GLCM,Decoy,0,-7.717,-7.14,-4.3,-8.044800941765049
CC(C)CCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,C06134454_decoy,GLCM,Decoy,0,-9.26497,-6.82,-3.14,-9.35112953391754
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1,C06134485_decoy,GLCM,Decoy,0,-8.56442,-7.33,-4.62,-8.617175863109642
CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,C06462075_decoy,GLCM,Decoy,0,-8.30012,-8.02,-3.4,-15.544453295512271
CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1,C06462271_decoy,GLCM,Decoy,0,-8.66821,-6.89,-1.72,-9.118358131394965
CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)C1CCCCC1,C06501137_decoy,GLCM,Decoy,0,-8.0569,-6.46,-1.74,-9.057133385772095
CCOC(=O)CNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C,C06546737_decoy,GLCM,Decoy,0,-8.26559,-7.05,-3.5,-8.025487747161895
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,C06904929_decoy,GLCM,Decoy,0,-8.60253,-8.23,-2.11,-11.313200295767896
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1,C06904951_decoy,GLCM,Decoy,0,-8.00775,-7.53,-4.65,-9.249579922116004
COCCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N,C06905052_decoy,GLCM,Decoy,0,-9.47103,-6.68,-3.85,-8.721367599432881
C=CCOc1c(Cl)cc(C[NH2+]CCNC(=O)c2nonc2N)cc1OC,C08470124_decoy,GLCM,Decoy,0,-7.77442,-6.73,-3.62,-8.115551832532718
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CC2CCCCC2)c1,C11817034_decoy,GLCM,Decoy,0,-8.41167,-7.81,-4.11,-11.112958029949532
C[NH+](C[C@H](O)COc1ccccc1C[NH2+]CCc1c[nH]cn1)C1CCCCC1,C11935575_decoy,GLCM,Decoy,0,-8.07947,-7.47,-1.57,-7.02342872868182
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C,C12467353_decoy,GLCM,Decoy,0,-8.05874,-7.05,-4.87,-8.080399448739012
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(C)cc1,C12479643_decoy,GLCM,Decoy,0,-8.821,-7.1,-4.33,-11.650410280653327
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC[NH+](CCO)CCO)[C@H]3C[C@@H]12,C12661586_decoy,GLCM,Decoy,0,-9.57473,-6.9,-1.93,-12.788865170157626
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)c1OCC(N)=O,C16195357_decoy,GLCM,Decoy,0,-8.50347,-6.66,-3.49,-8.801067678459608
Cc1cn(CCCCCOC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)[nH]c1=O,C05845691_decoy,GLCM,Decoy,0,-5.66586,-7.38,-4.06,-5.660979176837772
COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)c1OCC(N)=O,C20872544_decoy,GLCM,Decoy,0,-7.16572,-7.18,-4.45,-6.905120978802244
CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2c(C)nn(C(C)C)c2C)n1N,C20912006_decoy,GLCM,Decoy,0,-7.0959,-8.6,-3.17,-7.688023537378666
COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NNC(=O)C(F)(F)F)n2N)cc1,C20914411_decoy,GLCM,Decoy,0,-8.54249,-6.16,-3.51,-6.941280140913923
CCCOc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1OC,C20968239_decoy,GLCM,Decoy,0,-7.25992,-5.7,-1.8,-8.245927235364215
COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2N)c1O,C21318981_decoy,GLCM,Decoy,0,-7.85458,-7.21,-4.26,-6.186163269055251
OCCN(CCO)[C@H]([C@@H](n1nnc2ccccc21)[NH+](CCO)CCO)n1nnc2ccccc21,C23469491_decoy,GLCM,Decoy,0,-6.60607,-5.33,-3.81,-6.721953149827979
COc1ccc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C31156108_decoy,GLCM,Decoy,0,-8.91153,-7.84,-1.25,-11.014504431850549
CC(C)CNS(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2cccc[nH+]2)c1)C(=O)[O-],C27653556_decoy,GLCM,Decoy,0,-9.96897,-7.63,-3.73,-6.997883797843995
COc1ccccc1N[C@H]1NN[C@H](SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])S1,C39691408_decoy,GLCM,Decoy,0,-6.45405,-7.3,-3.55,-6.000864037114344
O=C(CS[C@H]1NN[C@H]([NH2+]Cc2ccco2)S1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C39692868_decoy,GLCM,Decoy,0,-8.01664,-7.0,-3.5,-6.4361993820745935
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)[NH3+])C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,C39946868_decoy,GLCM,Decoy,0,-7.23217,-7.96,-3.47,-6.834795634320568
CCOC(=O)CSc1nnc(N)n1[C@H](C)C(=O)Nc1scc(-c2ccc(C)cc2)c1C(N)=O,C40174560_decoy,GLCM,Decoy,0,-7.65518,-7.76,-3.68,-8.498919413074532
CC[NH+](CC)[C@H](CNC(=O)[C@@H](CCSC)NC(N)=O)c1ccsc1,C41427984_decoy,GLCM,Decoy,0,-9.25688,-6.27,-4.15,-10.698943310479867
C[NH+](CCCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)CC(F)(F)F,C41922668_decoy,GLCM,Decoy,0,-6.29814,-7.5,-3.13,-6.213073692953889
CCOC(=O)CCc1c([C@H]([NH3+])CC(N)=O)[nH]c(C(=O)OCC)c1CC(=O)OCC,C44254014_decoy,GLCM,Decoy,0,-7.72353,-6.88,-2.14,-9.624403722259512
C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccc(O)cc2O)n1,C58994387_decoy,GLCM,Decoy,0,-10.7087,-7.78,-2.95,-7.8008534034487935
C[C@H](O)C[NH2+]CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1,C22075542_decoy,GLCM,Decoy,0,-8.21137,-6.93,-2.37,-7.70166381102689
COc1cccc(C[NH2+]CC[NH2+]C[C@@H](C)O)c1OCc1ccc(C)cc1,C20873997_decoy,GLCM,Decoy,0,-7.61918,-7.32,-4.32,-7.113947311985457
CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(C)cc1,C20874768_decoy,GLCM,Decoy,0,-8.40047,-6.93,-2.18,-9.796981243628036
CSCC[C@H](NC(N)=O)C(=O)NCCNc1ccc([N+](=O)[O-])cc1,C15138957_decoy,GLCM,Decoy,0,-9.04865,-6.42,-3.65,-8.285854540654354
CCCCN1C(=O)N=C([O-])[C@@H](N(CCC(C)C)C(=O)CSc2n[nH]c(N)n2)[C@@H]1[NH3+],C39944018_decoy,GLCM,Decoy,0,-7.51357,-7.41,-4.3,-8.124783418847082
O=C(CCCNC(=O)NC1CCCCC1)NNC(=S)NCC(F)(F)F,C64082095_decoy,GLCM,Decoy,0,-7.32715,-7.52,-2.05,-6.886395455856566
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)NCCCn1cc[nH+]c1,C64885724_decoy,GLCM,Decoy,0,-6.87324,-6.74,-3.5,-6.743023172398964
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)NCCCn1cc[nH+]c1,C64886682_decoy,GLCM,Decoy,0,-7.03492,-5.56,-2.74,-6.472024066308069
COc1cc(/C=C/C(=O)NNC(=O)NCCC(C)C)ccc1OCC(N)=O,C65135896_decoy,GLCM,Decoy,0,-7.07001,-5.61,-4.25,-4.785347639248641
CCOCCC/[NH+]=C(/NCCS(N)(=O)=O)NCc1ccc(OC)cc1,C66245234_decoy,GLCM,Decoy,0,-9.76979,-6.89,-0.96,-7.35397182000996
COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1,C66246494_decoy,GLCM,Decoy,0,-7.98636,-6.6,-3.95,-5.945848403859636
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,C67178481_decoy,GLCM,Decoy,0,-6.33067,-7.73,-3.75,-7.029635427063132
COc1cc(C[NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OCC(N)=O,C67251533_decoy,GLCM,Decoy,0,-8.96583,-7.09,-3.85,-7.594993426894998
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)[O-])C(C)C,C03874356_decoy,GLCM,Decoy,0,-8.85729,-7.89,-4.29,-8.628319940813528
C=CCNC(=S)Nc1cccc(NC(=O)C[C@@H]([NH2+]CC(C)C)C(=O)[O-])c1,C05258983_decoy,GLCM,Decoy,0,-7.93895,-7.65,-2.32,-7.913297052898634
CC/C(=C(/CC)c1ccc(O)c(C[NH+](C[C@@H](C)O)C[C@@H](C)O)c1)c1ccc(O)cc1,C05699847_decoy,GLCM,Decoy,0,-8.62878,-8.16,-3.98,-12.078565747050131
CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N,C06462112_decoy,GLCM,Decoy,0,-8.33709,-6.67,-2.2,-8.413215459673083
CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccc(OC)c1)C(=O)c1snc(C(N)=O)c1N,C06462168_decoy,GLCM,Decoy,0,-7.91045,-6.74,-5.11,-8.425840979127836
CCOC(=O)CNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC,C06546497_decoy,GLCM,Decoy,0,-7.63217,-6.29,-3.05,-9.214567378743956
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F,C06547026_decoy,GLCM,Decoy,0,-7.34301,-6.35,-2.38,-7.628697646773038
CCOC(=O)CNC(=O)[C@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1,C06547149_decoy,GLCM,Decoy,0,-7.95913,-6.81,-2.19,-5.668706381049212
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1,C06547178_decoy,GLCM,Decoy,0,-8.54804,-6.49,-5.2,-7.893169901476464
CC(C)[C@H]([NH3+])C(=O)NC[C@H](CC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1,C06759397_decoy,GLCM,Decoy,0,-8.42187,-6.17,-2.86,-9.095562214282287
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,C06904944_decoy,GLCM,Decoy,0,-8.21067,-7.33,-3.01,-6.226181124623369
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](CCSC)NC(N)=O,C07258105_decoy,GLCM,Decoy,0,-9.54603,-6.59,-4.83,-9.403730073547171
COc1ccc(C(c2c(N)nc(SCC(C)=O)[nH]c2=O)c2c(N)nc(SCC(C)=O)[nH]c2=O)cc1,C08636898_decoy,GLCM,Decoy,0,-10.9066,-7.72,-4.42,-10.187763543348728
CCCCn1c(N)c(N(CCOC)Cc2ccc(C(N)=O)cc2)c(=O)[nH]c1=O,C10568425_decoy,GLCM,Decoy,0,-7.14843,-5.92,-2.99,-6.406066174978718
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(C)cc1,C12479639_decoy,GLCM,Decoy,0,-9.03611,-7.07,-3.26,-9.482551039680851
OCC[NH+](CCO)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1,C12753446_decoy,GLCM,Decoy,0,-9.10006,-8.08,-2.38,-7.29766607894243
O[C@@H](COc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12)C[NH+]1CCSCC1,C14975377_decoy,GLCM,Decoy,0,-9.60775,-7.38,-2.64,-8.967702162294849
COc1cc(C[NH2+]Cc2cc(F)ccc2F)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1,C15078649_decoy,GLCM,Decoy,0,-9.68142,-8.49,-3.87,-9.904310735076004
CCCCN(C(=O)CSc1nnc(C2CC2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C18273695_decoy,GLCM,Decoy,0,-7.66052,-6.67,-3.34,-6.6410616815687495
COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cc(OC)ccc3O)n2N)cc1,C20527470_decoy,GLCM,Decoy,0,-8.4191,-7.71,-3.2,-6.464106952305742
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NNC(=S)NCCC[NH+](C)C)cc3N2)cc1C,C02793964_decoy,GLCM,Decoy,0,-7.89234,-8.68,-3.27,-6.475168256878753
C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C,C20873268_decoy,GLCM,Decoy,0,-7.84968,-5.81,-1.22,-7.11206972082334
COCCCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1,C24337999_decoy,GLCM,Decoy,0,-9.11772,-7.76,-3.66,-7.478667648474467
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)COc2cc(C)ccc2C(N)=O)c(=O)[nH]c1=O,C24879185_decoy,GLCM,Decoy,0,-7.67464,-7.16,-3.0,-7.8336642142344495
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)[O-])C(C)C,C25666907_decoy,GLCM,Decoy,0,-6.70407,-7.48,-5.19,-7.8260466422925585
Cc1ccc(C[C@H](CC/[NH+]=C(/NCCCc2c[nH]c[nH+]2)NC2CCCCC2)c2ccccn2)cc1,C26176308_decoy,GLCM,Decoy,0,-10.5378,-7.11,-4.05,-9.54692529669671
COCCNC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,C08772917_decoy,GLCM,Decoy,0,-7.85343,-6.87,-1.79,-5.986729190025173
C=C[C@@](C)(CC/C=C(\C)[C@H](O)CC=C(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C35271466_decoy,GLCM,Decoy,0,-8.41059,-8.32,-1.35,-8.42329017586872
COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1,C33547341_decoy,GLCM,Decoy,0,-9.04863,-7.3,-4.8,-10.273840004367488
CC(C)C[NH+]1[C@@H](SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])NN[C@H]1c1ccccc1F,C39680058_decoy,GLCM,Decoy,0,-8.82946,-8.56,-3.76,-7.168271395310497
CCC[NH+]1[C@@H](SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])NN[C@H]1c1ccncc1,C39690031_decoy,GLCM,Decoy,0,-6.76117,-8.25,-1.64,-7.811178640238984
CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](C)[NH3+])C(=O)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,C39946867_decoy,GLCM,Decoy,0,-7.06288,-7.87,-4.41,-7.263897131047106
CC(C)Oc1c(Br)cc(C[NH2+]CCC[NH2+]CCO)cc1Br,C40720729_decoy,GLCM,Decoy,0,-8.42879,-5.33,-1.94,-7.762474919376128
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccc(F)cc1Cl,C40744537_decoy,GLCM,Decoy,0,-8.96182,-7.18,-2.76,-8.465548120723387
C[NH+](CCCNC(=O)C(=O)Nc1ccccc1CC(N)=O)CC(F)(F)F,C41922666_decoy,GLCM,Decoy,0,-6.09069,-7.51,-2.72,-7.007503251691737
CC(C)[C@H]([NH3+])C(=O)NC[C@@H](CC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1,C43595163_decoy,GLCM,Decoy,0,-9.45377,-7.22,-2.16,-12.214378935676049
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CCCC(N)=[NH2+])C(=O)OC)CC[C@@]4(C)[C@H]3CC[C@]21C,C43736968_decoy,GLCM,Decoy,0,-10.3782,-8.72,-3.38,-7.80210161546537
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](/C=C/c3ccccc3)[NH2+][C@@](CCCNC(N)=O)(C(=O)[O-])[C@@H]2C1=O,C44174914_decoy,GLCM,Decoy,0,-7.54468,-7.47,-3.66,-8.323238943829086
C/C=C/C=C/C=C\C(=O)N[C@H](C(=O)O[C@@H](c1c[nH]c2cc(Cl)ccc12)[C@H]1NC(=O)CNC1=O)[C@H](C)[NH3+],C44606400_decoy,GLCM,Decoy,0,-7.73146,-6.75,-2.51,-5.697529836668321
CCCCn1c(N)c(N(CC)C(=O)C[NH2+]C(C)(C)CC(C)(C)C)c(=O)[nH]c1=O,C53123674_decoy,GLCM,Decoy,0,-7.97735,-6.5,-4.16,-7.234109574492042
CC[C@@H](Cc1coc2[nH+]c(N)cc(N)c12)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,C29562192_decoy,GLCM,Decoy,0,-8.13629,-7.97,-4.58,-7.202750673831816
O=C(C[NH2+]CCCO)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C58866905_decoy,GLCM,Decoy,0,-6.46267,-5.51,-3.16,-7.903516019236428
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1F,C22075280_decoy,GLCM,Decoy,0,-8.34106,-7.09,-2.54,-10.412840968027137
Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CC[NH2+]C[C@H](C)O)cc1,C20874242_decoy,GLCM,Decoy,0,-8.29699,-7.3,-2.4,-9.62608941177372
COc1ccc(NC(=O)CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1,C59914388_decoy,GLCM,Decoy,0,-7.80781,-6.47,-2.97,-6.676892998365755
CCCCn1c(N)c(N(CC)C(=O)C[NH+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c(=O)[nH]c1=O,C60377220_decoy,GLCM,Decoy,0,-8.06292,-8.0,-3.97,-9.864224224493492
CCC[C@H](NC(N)=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1,C64291292_decoy,GLCM,Decoy,0,-6.34029,-7.18,-2.88,-8.28332759307339
CC(C)C(=O)NCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,C67085968_decoy,GLCM,Decoy,0,-7.13348,-7.62,-4.65,-6.806115671569066
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1,C67194186_decoy,GLCM,Decoy,0,-8.50171,-7.96,-2.33,-7.040766229368706
COc1cc(CNC(=O)NNC(=O)CCC(C)C)ccc1OCC(N)=O,C67391837_decoy,GLCM,Decoy,0,-7.83242,-6.17,-4.67,-6.528654912967239
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,GLCM,Decoy,0,-10.5167,-7.26,-3.98,-10.052803557378407
COc1ccc(C[C@H](NC(=O)[C@@]2(O)C[C@@H](O)[C@H](O)[C@@H](NC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)C(N)=O)cc1,C04221877_decoy,GLCM,Decoy,0,-8.50891,-7.27,-3.39,-7.331347325511248
C=CCOC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCCNC(C)=O,C04237015_decoy,GLCM,Decoy,0,-9.63071,-6.52,-2.59,-9.370618691353815
C=CCNC(=S)Nc1cccc(NC(=O)C[C@@H]([NH2+]CC=C)C(=O)[O-])c1,C05259010_decoy,GLCM,Decoy,0,-9.00221,-7.5,-4.54,-8.36457156797187
COc1cccc(CC[NH+](CCOC(N)=O)CCOC(N)=O)c1OC,C05760305_decoy,GLCM,Decoy,0,-8.45688,-5.54,-3.81,-9.846886174462409
CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,C06134467_decoy,GLCM,Decoy,0,-9.3772,-7.8,-2.48,-9.88492814903394
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1cccs1,C06134647_decoy,GLCM,Decoy,0,-9.33185,-6.94,-3.16,-10.21909767923795
NNC(=O)C1=NO[C@H](CN(CCNc2[nH+]cc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1,C06182544_decoy,GLCM,Decoy,0,-9.50836,-9.43,-3.23,-14.990431060982344
CCOC(=O)CNC(=O)[C@@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1,C06546860_decoy,GLCM,Decoy,0,-9.66028,-5.71,-2.42,-7.48609218994499
CCOC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1,C06547010_decoy,GLCM,Decoy,0,-8.3181,-6.59,-4.41,-6.7479254948373
CCOC(=O)CNC(=O)[C@H](c1cccs1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1,C06547183_decoy,GLCM,Decoy,0,-7.58318,-7.41,-4.68,-9.830887155184447
CC[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N,C06631855_decoy,GLCM,Decoy,0,-9.12111,-6.79,-5.2,-9.964117696333238
COCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1,C06135946_decoy,GLCM,Decoy,0,-8.18081,-8.36,-4.2,-9.18700709268474
COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)c2snc(C(N)=O)c2N)cc1,C07059049_decoy,GLCM,Decoy,0,-8.51492,-7.61,-3.21,-10.125086079902893
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccc(F)cc1,C08471576_decoy,GLCM,Decoy,0,-8.09062,-7.65,-2.41,-8.720534241695296
Cc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1,C12479434_decoy,GLCM,Decoy,0,-8.08353,-6.85,-2.63,-7.731998324510812
CC(C)(C)NC(=O)N1CCN(C(=O)N[C@@H](C(=O)[O-])[C@H](C=O)CCCNC(N)=[NH2+])CC1,C12503585_decoy,GLCM,Decoy,0,-10.8645,-8.35,-2.45,-10.004938085791748
COc1cc(C[NH2+]C(C)(C)CO)ccc1OC[C@@H](O)C[NH+](C)C(C)C,C12576767_decoy,GLCM,Decoy,0,-7.59207,-6.37,-1.29,-7.409081282376513
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC[NH+](CCO)CCO)[C@H]3C[C@H]12,C12661587_decoy,GLCM,Decoy,0,-8.77885,-6.93,-1.89,-7.610260111776629
COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1,C12711431_decoy,GLCM,Decoy,0,-8.52819,-7.48,-3.44,-6.208285961770973
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1,C12716102_decoy,GLCM,Decoy,0,-8.47083,-8.09,-5.21,-8.508578012593198
CCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccncc2)cc1,C06134803_decoy,GLCM,Decoy,0,-8.92611,-7.73,-3.21,-6.641239515354059
NC(=[NH2+])c1ccc(C2=NO[C@@H](CC(=O)N[C@H](CCc3ccccn3)CC(=O)[O-])C2)cc1,C13763252_decoy,GLCM,Decoy,0,-7.82018,-8.41,-4.08,-7.745896356910765
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CC2CCOCC2)c1,C15066208_decoy,GLCM,Decoy,0,-9.27097,-7.89,-2.07,-9.37624097258399
NC(=O)NCOC(=S)SSSC(=S)OCNC(N)=O,C04428869_decoy,GLCM,Decoy,0,-10.6882,-5.65,-2.59,-9.157393251032367
CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(-c3cccs3)n2N)c(=O)[nH]c1=O,C18526672_decoy,GLCM,Decoy,0,-9.35359,-7.55,-5.0,-8.385766879357993
COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc(OC)c1OC,C20914585_decoy,GLCM,Decoy,0,-7.67973,-7.95,-4.42,-7.187658280988264
COc1cc(NC(=O)CSc2nnc(N/N=C/c3cccc(OC)c3O)n2N)cc(OC)c1,C21319035_decoy,GLCM,Decoy,0,-8.55142,-7.75,-3.81,-6.809920715021035
CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)ccc1O,C21326580_decoy,GLCM,Decoy,0,-7.52174,-8.24,-4.33,-7.829192216791654
Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c(C)c1,C21327381_decoy,GLCM,Decoy,0,-8.37529,-7.06,-3.77,-6.61424503207912
OCCN(CCO)[C@H]([C@H](n1nnc2ccccc21)[NH+](CCO)CCO)n1nnc2ccccc21,C23469487_decoy,GLCM,Decoy,0,-7.20503,-6.76,-3.34,-5.802002032051472
COc1ccc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C31156093_decoy,GLCM,Decoy,0,-8.61945,-6.46,-2.91,-7.920465733250317
N/C(NCC[C@@H](c1ccccn1)c1cccs1)=[NH+]\CCCc1c[nH]cn1,C13816237_decoy,GLCM,Decoy,0,-9.06512,-6.5,-1.63,-8.369767659928936
C=C[C@](C)(CC/C=C(\C)[C@H](O)CC=C(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O,C35271459_decoy,GLCM,Decoy,0,-7.79756,-8.19,-1.25,-12.385214366594122
CC(C)[C@@H](C(=O)[O-])[NH+]1[C@@H](SCC(=O)NCCc2c[nH]c3ccccc23)NN[C@H]1c1cccs1,C39665491_decoy,GLCM,Decoy,0,-8.21072,-7.29,-2.78,-5.419389438233051
CCC[NH+]1[C@@H](SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])NN[C@H]1c1ccc(Cl)cc1,C39680127_decoy,GLCM,Decoy,0,-7.11398,-6.96,-3.58,-6.366528901889461
CCCOc1c(C[NH2+]CCNC(=O)c2nonc2N)cc(Br)cc1OC,C40744441_decoy,GLCM,Decoy,0,-8.12838,-7.37,-2.36,-7.780260407715332
CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)COc1ccccc1[N+](=O)[O-],C44816504_decoy,GLCM,Decoy,0,-7.59122,-6.14,-5.93,-6.410462726137523
CCOC(=O)[C@H](CC(C)C)NC(=O)CCCCc1c([O-])[nH+]c(N)[nH]c1=O,C48545026_decoy,GLCM,Decoy,0,-8.32852,-6.86,-3.03,-7.85107786444431
Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)NCCCC(N)=O)cc1,C57212924_decoy,GLCM,Decoy,0,-8.46559,-7.13,-3.07,-9.611730073983558
CCOc1ccc(C(=O)NNC(=O)[C@@H](CCSC)NC(N)=O)cc1OC,C08314500_decoy,GLCM,Decoy,0,-9.73231,-6.51,-3.48,-8.747623122117263
CC(C)(C)NC(=O)N1CCN(C(=O)N[C@H](C(=O)[O-])[C@H](C=O)CCCNC(N)=[NH2+])CC1,C12503583_decoy,GLCM,Decoy,0,-9.43813,-7.19,-2.26,-11.283028361819609
CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)c(C#N)c1C,C58994288_decoy,GLCM,Decoy,0,-10.2741,-6.95,-3.8,-7.613396182754196
[H]/N=C(/NCc1cc(C)c(CN/C(=N/[H])NC(N)=S)cc1C)NC(N)=S,C33381473_decoy,GLCM,Decoy,0,-7.1525,-6.18,-3.53,-5.487754101997092
C[NH+](CCCNC(=O)C[C@H](NC(N)=O)c1cccs1)CC(F)(F)F,C60649486_decoy,GLCM,Decoy,0,-8.81239,-6.41,-1.28,-7.816125488462103
CCCCN1C(=O)N=C([O-])[C@H](N(CCC(C)C)C(=O)CSc2n[nH]c(N)n2)[C@H]1[NH3+],C39944019_decoy,GLCM,Decoy,0,-7.52292,-6.35,-1.16,-5.3321350795720495
CCCCN(C(=O)CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1c(N)n(CCC)c(=O)[nH]c1=O,C64055381_decoy,GLCM,Decoy,0,-6.41777,-8.7,-3.02,-7.32144654275292
CCOC(=O)N[C@H](C(=O)NNC(=O)NCCCn1cc[nH+]c1)C(C)C,C64886065_decoy,GLCM,Decoy,0,-7.04526,-7.0,-3.57,-6.677812733714257
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1,C67194182_decoy,GLCM,Decoy,0,-7.34359,-7.53,-3.09,-10.52408619553957
COc1cc(C[NH2+]CC(C)(C)[NH+]2CCC[C@H](C)C2)cc(OC)c1OCC(N)=O,C67222405_decoy,GLCM,Decoy,0,-8.11101,-7.11,-3.43,-8.492460693154092
CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O,C04556651_decoy,GLCM,Decoy,0,-8.12225,-7.67,-3.78,-8.686277223439129
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1,C06134174_decoy,GLCM,Decoy,0,-8.43585,-7.77,-3.26,-9.59210830243428
COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(O)c2)cc1,C06134245_decoy,GLCM,Decoy,0,-9.1474,-7.0,-1.72,-8.553226791817591
COc1cc(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-])c(C)c1C,C04899505_decoy,GLCM,Decoy,0,-9.00542,-7.11,-4.02,-8.344319295776668
CCC(C)(C)NC(=O)[C@H](c1ccc(C)o1)N(Cc1cccc(OC)c1)C(=O)c1snc(C(N)=O)c1N,C06462260_decoy,GLCM,Decoy,0,-8.88243,-6.79,-3.14,-9.425233355554578
CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(CC)cc2)cc1,C06822200_decoy,GLCM,Decoy,0,-8.81292,-6.97,-2.11,-8.832150622781096
COCCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,C06905086_decoy,GLCM,Decoy,0,-8.8349,-7.99,-3.04,-6.808038960105795
O[C@H](C[NH2+]CCNc1[nH+]cccc1C(F)(F)F)COc1ccc(F)cc1,C02141880_decoy,GLCM,Decoy,0,-6.78272,-8.0,-4.16,-6.963577584783696
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1,C12467331_decoy,GLCM,Decoy,0,-8.30453,-5.48,-5.49,-7.197559863282791
COCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1,C12467371_decoy,GLCM,Decoy,0,-9.16553,-6.77,-2.24,-8.507141065143541
COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1,C12467421_decoy,GLCM,Decoy,0,-7.30636,-8.28,-4.71,-8.266016335935813
Cc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1,C12479440_decoy,GLCM,Decoy,0,-8.47116,-8.28,-2.44,-9.969013101998256
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCC[NH2+]CCC[NH3+])c1,C12620893_decoy,GLCM,Decoy,0,-8.59624,-6.17,-1.62,-7.99194722659648
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1,C12716107_decoy,GLCM,Decoy,0,-9.1539,-8.57,-2.43,-9.411437899422337
CC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-],C08876349_decoy,GLCM,Decoy,0,-7.83584,-7.79,-2.07,-7.244567757431461
CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)cc1,C06090068_decoy,GLCM,Decoy,0,-9.18822,-7.88,-2.21,-13.086165286664578
CCc1nc(N)nc(N)c1-c1ccc(NCCCCCC[NH3+])c([N+](=O)[O-])c1,C05479324_decoy,GLCM,Decoy,0,-7.92661,-6.38,-2.48,-6.647883932279268
CC(=O)Nc1ccccc1NC(=O)CCSc1nnc(N/N=C/c2cnn(C(C)C)c2)n1N,C20921493_decoy,GLCM,Decoy,0,-6.38427,-8.5,-4.4,-5.809650479653103
COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2N)cc1O,C21316737_decoy,GLCM,Decoy,0,-7.382,-6.92,-4.31,-6.394392754921856
CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(OC)cc3C)n2N)ccc1O,C21326595_decoy,GLCM,Decoy,0,-7.28872,-8.83,-3.16,-8.196716816946156
COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCC(N)=O,C16195363_decoy,GLCM,Decoy,0,-8.29779,-6.35,-3.84,-6.069650889658252
NC(=[NH2+])c1ccc([C@@H](NC(=O)/C=C/c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,C26389426_decoy,GLCM,Decoy,0,-9.87835,-7.98,-2.81,-10.157126454658462
O=C(NCCCCCCNC(=O)OCC[NH2+][C@@H]1CCS(=O)(=O)C1)OCCN[C@H]1CCS(=O)(=O)C1,C16661238_decoy,GLCM,Decoy,0,-9.35688,-6.93,-4.23,-8.282609010483355
CC[NH+](CCO)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C29839404_decoy,GLCM,Decoy,0,-7.06411,-6.4,-2.92,-7.70223273017986
COc1ccc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C31156098_decoy,GLCM,Decoy,0,-8.65913,-8.56,-2.57,-9.051498793986797
CCOC(=O)C1=C(CS/C(N)=[NH+]/CCOC)NC(=O)N[C@H]1c1ccco1,C30025946_decoy,GLCM,Decoy,0,-7.43367,-6.3,-1.68,-9.110237589547188
COC(=O)c1[nH]c(N)nc(=O)c1CCCCCc1c(C(=O)OC)[nH]c(N)nc1=O,C08653118_decoy,GLCM,Decoy,0,-6.16775,-6.76,-4.1,-5.072535945290032
COc1cc(/C=C/CO[C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C35465762_decoy,GLCM,Decoy,0,-7.22582,-6.53,-2.82,-5.770959512708207
CSC(=S)N/N=C(/CNNC(=S)SC)[C@@H](O)[C@H](O)[C@H](O)CO,C37263620_decoy,GLCM,Decoy,0,-12.9455,-6.12,-2.42,-12.352466783066328
COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccco1,C04356245_decoy,GLCM,Decoy,0,-8.38903,-6.56,-4.79,-8.829107356875157
COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)ccc1OCC(N)=O,C01780035_decoy,GLCM,Decoy,0,-8.65873,-9.21,-3.2,-8.360158034500143
CCOC(=O)CSc1nnc(N)n1[C@@H](CC)C(=O)Nc1sc(C)c(C)c1C(N)=O,C40174570_decoy,GLCM,Decoy,0,-8.77542,-7.02,-2.12,-9.035489324250314
CC[C@@H](C)[C@@H](NC(=O)[C@H]([NH3+])[C@@H](C)CC)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC,C43760840_decoy,GLCM,Decoy,0,-8.39038,-6.07,-2.92,-8.787970509276429
CC(C)CC(CC(C)C)O[C@@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C44168300_decoy,GLCM,Decoy,0,-5.77825,-7.24,-2.74,-8.810622151518398
CCOC(=O)N[C@@H](CNC(=O)NNC(=O)C(=O)NC1CC1)CC(C)C,C47056895_decoy,GLCM,Decoy,0,-6.86424,-7.38,-2.48,-6.563800679466029
CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1sccc1C(N)=O)CC(C)C,C47970751_decoy,GLCM,Decoy,0,-8.10068,-6.34,-4.41,-7.176378408190371
S=C(NCCCc1c[nH+]c[nH]1)NCCCN(Cc1ccc(Br)cc1)c1cccc[nH+]1,C13782006_decoy,GLCM,Decoy,0,-9.26273,-6.12,-5.21,-6.921577638295976
CC[C@H](Cc1coc2[nH+]c(N)cc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,C29562189_decoy,GLCM,Decoy,0,-8.57803,-7.99,-3.38,-7.717107661403294
Cc1ccccc1[C@@H](CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)NC(N)=O,C31079886_decoy,GLCM,Decoy,0,-6.83771,-6.7,-1.57,-6.069126065688687
CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)sc2c1CCC2,C58994341_decoy,GLCM,Decoy,0,-10.2957,-7.61,-3.11,-7.309994703733895
COc1cc(CNC(=O)CSc2n[nH]c(N/N=C(/C)c3ccc(N)cc3)n2)cc(OC)c1,C59309457_decoy,GLCM,Decoy,0,-7.3926,-8.46,-3.7,-6.057822861663156
COc1cccc(C[NH2+]CC[NH2+]C[C@H](C)O)c1OCc1ccc(F)cc1,C22075323_decoy,GLCM,Decoy,0,-7.60421,-7.14,-3.56,-8.74998445071576
OCC[NH2+]CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1,C23263571_decoy,GLCM,Decoy,0,-7.27462,-6.12,-4.88,-7.667628996553242
CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NCCCn1cc[nH+]c1,C64886702_decoy,GLCM,Decoy,0,-6.55013,-6.51,-2.96,-6.296005113949332
COCCCNC(=O)NNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-],C65208106_decoy,GLCM,Decoy,0,-3.9984,-6.29,-4.75,-5.332254790433236
C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)[nH+]cn1CCCC[NH3+],C65492727_decoy,GLCM,Decoy,0,-9.20644,-5.97,-1.66,-9.46954735246852
CCOCCOc1ccc(C[NH+]2CCNC(=O)[C@@H]2CC(=O)NN)cc1OC,C66115417_decoy,GLCM,Decoy,0,-8.37297,-6.28,-1.91,-6.136048593764174
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,C67178479_decoy,GLCM,Decoy,0,-8.25623,-6.94,-3.2,-9.92277841757196
CC(C)C[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccc(OC(C)C)cc1,C67194061_decoy,GLCM,Decoy,0,-7.80863,-6.49,-1.9,-5.922227723121848
COc1ccc(NC(=S)NNC(=O)[C@H](CCSC)NC(N)=O)cc1F,C67195877_decoy,GLCM,Decoy,0,-9.9327,-5.46,-2.3,-9.655288286571034
CC(C)CC[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,C12799998_decoy,GLCM,Decoy,0,-7.07413,-5.43,-1.96,-4.694281489531209
[NH3+]CCCCCCNc1nc(=O)c(Cc2ccccc2)n[nH]1,C19689869_decoy,GLCM,Decoy,0,-5.85128,-7.18,-1.76,-6.477136238813411
C[C@H]1CCc2nc(NCCCCCC[NH3+])[nH]c(=O)c2C1,C19689978_decoy,GLCM,Decoy,0,-8.07688,-7.33,-2.91,-7.82968320333999
[NH3+]CCC(=O)Nc1ccc(NCCC2=CCCCC2)cn1,C33521201_decoy,GLCM,Decoy,0,-7.70904,-5.88,-0.67,-6.128716359119496
NC(=O)c1cc(C(F)(F)F)ccc1NCCC[NH2+]C1CC1,C36269426_decoy,GLCM,Decoy,0,-5.44714,-5.88,-1.79,-7.399058512676726
CC[C@H]([NH3+])Cc1cc(Cl)c(OC[C@H](C)C(N)=O)c(OC)c1,C37723152_decoy,GLCM,Decoy,0,-7.96282,-5.39,-2.46,-8.994374966311426
CN(CCOc1ccc(Cl)cc1)C(=O)[C@H]([NH3+])CC(N)=O,C37799243_decoy,GLCM,Decoy,0,-8.0124,-7.5,-3.13,-10.79963312543063
C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C(N)=O,C37864387_decoy,GLCM,Decoy,0,-7.11143,-7.59,-1.78,-10.195415791959269
Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C(N)=O)c(C)c1,C37890877_decoy,GLCM,Decoy,0,-6.1961,-7.59,-1.21,-9.473303198139517
Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C(N)=O)c(C)c1,C37890878_decoy,GLCM,Decoy,0,-7.04809,-6.9,-1.34,-10.377638427394418
NC(=O)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1,C37891559_decoy,GLCM,Decoy,0,-7.95151,-6.25,-1.75,-9.682236748813096
NC(=O)CCC[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl,C37894504_decoy,GLCM,Decoy,0,-7.26968,-6.13,-1.18,-4.910401661196785
CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]C1CCC(C(N)=O)CC1,C38091794_decoy,GLCM,Decoy,0,-7.98588,-5.18,-1.95,-4.634532316878985
CCCCN(C)c1nc[nH+]c(NNC(C)(C)C)c1N,C40730503_decoy,GLCM,Decoy,0,-7.65253,-6.57,-1.34,-7.91440302278855
CC[NH+](CC)C[C@H](C)NC(=O)C1(/C(N)=N/O)CCCCC1,C41684333_decoy,GLCM,Decoy,0,-7.53446,-6.34,-1.49,-6.89769343017836
Cc1ccc(N)cc1NC(=O)[C@@H](C)[NH+](CCCO)C(C)C,C42482925_decoy,GLCM,Decoy,0,-6.18946,-6.05,-1.76,-4.681738382254957
CCC(CC)[NH+](CCO)C[C@H](O)COc1cccc(N)c1,C42483390_decoy,GLCM,Decoy,0,-5.77593,-6.65,-1.35,-5.069444115196898
NC(=S)c1ccc([C@H](O)C[NH+](CCO)C2CCCC2)cc1,C42506759_decoy,GLCM,Decoy,0,-8.94484,-6.76,-2.56,-5.8914413545497295
CCC(CC)N(CCO)c1nc(C)cc(C)c1C(N)=[NH2+],C42507967_decoy,GLCM,Decoy,0,-8.54322,-5.07,-1.2,-4.694838955609402
CC[C@H]([NH3+])Cc1cc2c(cc1OC[C@H](C)C(N)=O)OCO2,C42878881_decoy,GLCM,Decoy,0,-7.40204,-6.02,-1.51,-6.728037494271475
CCCCN(CC(N)=O)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+],C43254161_decoy,GLCM,Decoy,0,-8.13354,-5.44,-3.28,-5.586231922811604
CC(C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)/C(N)=N/O,C44862423_decoy,GLCM,Decoy,0,-7.30214,-6.3,-1.46,-5.99859392550043
CCCC(CCC)(C(=O)N[C@@H](C)CC[NH+](C)C)/C(N)=N/O,C44877004_decoy,GLCM,Decoy,0,-7.44732,-6.5,-1.05,-8.420496680244371
CC[C@H]1CO[C@@H](C)CN1CCCC[C@](C)([NH3+])C(N)=O,C45423988_decoy,GLCM,Decoy,0,-8.3737,-6.15,-2.42,-7.665995899545009
C[C@]([NH3+])(CCCCO[C@H]1CCCc2ccccc21)C(N)=O,C45502539_decoy,GLCM,Decoy,0,-8.25176,-5.79,-1.28,-6.621903052595522
COc1ccc(OCC[C@@](C)([NH3+])C(N)=O)c(C(C)(C)C)c1,C45508636_decoy,GLCM,Decoy,0,-7.84412,-6.19,-0.93,-9.24667461139163
COc1cc(C)ccc1OCCC[C@@](C)([NH3+])C(N)=O,C45519954_decoy,GLCM,Decoy,0,-7.61409,-6.48,-0.99,-11.701033331729713
CCC[NH2+][C@@](C)(CCCCSc1ncn[nH]1)C(N)=O,C45557135_decoy,GLCM,Decoy,0,-7.69566,-6.37,-1.55,-11.548930574668436
CC(C)[NH2+][C@@](CSc1ncn[nH]1)(C(N)=O)c1ccccc1,C45557341_decoy,GLCM,Decoy,0,-6.06304,-7.2,-1.71,-5.247859274140298
C[C@@]([NH3+])(CCCSc1ccc(C(F)(F)F)cn1)C(N)=O,C45559348_decoy,GLCM,Decoy,0,-7.78926,-6.87,-1.01,-8.957707410686618
CCC[NH2+][C@@H](CSc1nc(CCC)cc(=O)[nH]1)C(N)=O,C45581686_decoy,GLCM,Decoy,0,-7.76559,-5.84,-3.55,-7.561536248389559
CCC[NH2+][C@H](CSc1nc(C)cc(=O)[nH]1)C(N)=O,C45586026_decoy,GLCM,Decoy,0,-7.46799,-6.5,-1.93,-7.71595595688154
COC[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1,C45657782_decoy,GLCM,Decoy,0,-6.74208,-4.7,-1.9,-5.031161582203725
CC(C)c1[nH]nc(C(=O)NCC[NH+](C(C)C)C(C)C)c1N,C50309731_decoy,GLCM,Decoy,0,-6.33912,-6.84,-1.02,-6.630093012765892
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1n[nH]c(C(C)C)c1N,C50321516_decoy,GLCM,Decoy,0,-5.81869,-6.68,-2.99,-4.875646216374951
CCCC[NH+](CCO)Cc1nc(NN)c2ccsc2n1,C51145100_decoy,GLCM,Decoy,0,-7.28502,-6.45,-0.8,-7.538388370851949
CC(C)c1ccc([C@](C)([NH2+]CCC[NH3+])C(=O)[O-])cc1,C51355513_decoy,GLCM,Decoy,0,-5.98,-5.05,-1.89,-5.40520344301012
CC(C)C[C@]([NH2+]CCC[NH3+])(C(=O)[O-])c1ccccc1,C51355626_decoy,GLCM,Decoy,0,-6.19834,-6.53,-1.5,-5.137740558636425
CCCC[NH+](CCO)CCc1nc2ccc(N)cc2[nH]1,C49008978_decoy,GLCM,Decoy,0,-6.85528,-6.36,-2.35,-8.17158171155351
CC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](CN(CCO)CCO)C1,C53870590_decoy,GLCM,Decoy,0,-7.71862,-5.64,-1.81,-5.2407829422335706
CCCOc1ccc([C@H](O)CC[NH+](C)CCO)cc1N,C57663057_decoy,GLCM,Decoy,0,-6.62356,-6.97,-1.8,-7.992013967175338
Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CC(N)=O)CC(C)C)s1,C43243238_decoy,GLCM,Decoy,0,-7.8252,-5.73,-3.44,-5.615601994108573
CC(C)[NH+](CC1CC1)C[C@@](N)(C(N)=O)c1ccccc1,C45280930_decoy,GLCM,Decoy,0,-6.20232,-6.69,-3.93,-4.902940086378548
CCCN(CCC(N)=O)[C@]1(C[NH3+])CCC[C@H](C)C1,C50089431_decoy,GLCM,Decoy,0,-6.80124,-6.79,-3.45,-5.250598653802684
CC[C@H](Oc1c(Cl)cc(C[C@@H](C)[NH3+])cc1OC)C(N)=O,C61678327_decoy,GLCM,Decoy,0,-7.44419,-5.04,-0.95,-5.415177480269303
CCCC(CCC)(C(=O)NCC[NH+](C)C1CC1)/C(N)=N/O,C62011257_decoy,GLCM,Decoy,0,-7.06878,-6.45,-1.32,-11.987410016075575
[NH3+]Cc1nnn(C[C@@H](O)CO)c1CCC1CCCCC1,C62314396_decoy,GLCM,Decoy,0,-8.03047,-7.32,-0.97,-6.41345601186696
COc1ccc(OCC[C@H]([NH3+])C(N)=O)c(C(C)(C)C)c1,C62547190_decoy,GLCM,Decoy,0,-8.06956,-5.02,-5.4,-2.428856201817923
CC(C)C[NH2+]Cc1ccc(O[C@H](C)C(=O)NC(N)=O)cc1,C62728896_decoy,GLCM,Decoy,0,-6.68698,-6.62,-2.14,-8.465699569417692
CC(C)C[NH2+]Cc1cccc(OCC(=O)NC(N)=O)c1,C62731434_decoy,GLCM,Decoy,0,-6.79387,-6.68,-2.55,-6.5037639724106455
Cc1c(C)n(C[C@H](O)C[NH2+]C(CO)(CO)CO)c2ccccc12,C03905380_decoy,GLCM,Decoy,0,-7.848,-7.68,-1.09,-11.913482658505451
CC(=O)Nc1cccc(OCCCOc2cccc(C(N)=[NH2+])c2)c1,C01583115_decoy,GLCM,Decoy,0,-9.36062,-8.13,-4.12,-8.07529119273037
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C(N)=O,C02571879_decoy,GLCM,Decoy,0,-8.07573,-5.3,-1.61,-6.651350584599057
CC(=O)NCCc1nc(-c2nc(C(=O)NCCC[NH3+])cs2)cs1,C01566440_decoy,GLCM,Decoy,0,-10.0346,-5.74,-0.89,-7.901772305991686
CC(C)C[C@@H]([NH3+])c1nc(C(=O)N[C@H](CC(C)C)C(N)=O)cs1,C06616413_decoy,GLCM,Decoy,0,-10.0916,-5.66,-2.3,-11.23417653844298
CC[NH+](CC)CCSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1,C10243481_decoy,GLCM,Decoy,0,-7.77382,-6.87,-3.56,-10.352422583172295
CCCn1c(N)c(C(=O)C[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O,C13138075_decoy,GLCM,Decoy,0,-8.21909,-7.74,-3.54,-9.048163085143448
Cc1ccc(-c2n[nH]c(NCCCCCC[NH3+])nc2=O)cc1C,C19689926_decoy,GLCM,Decoy,0,-5.58174,-7.34,-0.62,-6.428895676402155
[NH3+]CCCCCc1nc2cc3c(cc2n1C[C@H](O)CO)OCCO3,C19753438_decoy,GLCM,Decoy,0,-9.85345,-6.43,-2.3,-8.947076157046013
CC(C)n1cc(/C=N/Nc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)cn1,C20911233_decoy,GLCM,Decoy,0,-8.78721,-7.04,-4.13,-6.278032611356003
O=C(C[C@H]([NH2+]CCN1CC[NH2+]CC1)C(=O)[O-])Nc1cccc(Cl)c1,C22031092_decoy,GLCM,Decoy,0,-7.28026,-7.25,-2.62,-9.174567307983333
CCC[C@H]([NH3+])c1nc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)co1,C33624188_decoy,GLCM,Decoy,0,-8.79962,-7.63,-2.0,-8.224888147845984
COc1ccc(CNC(=O)[C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1,C03338439_decoy,GLCM,Decoy,0,-7.73611,-6.01,-2.1,-5.41129791236902
CC(=O)c1cccc(Nc2ncnc(NCCCn3cc[nH+]c3)c2N)c1,C40705520_decoy,GLCM,Decoy,0,-6.12258,-6.07,-1.57,-5.659715481684942
Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1,C40744392_decoy,GLCM,Decoy,0,-6.54111,-7.2,-2.0,-7.219867992649434
COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C[C@H]([NH3+])CO)c2O)c(C)c1O,C44463971_decoy,GLCM,Decoy,0,-9.74518,-7.67,-2.51,-8.823477190020455
CCOC(=O)C1=C(CS/C(N)=[NH+]/C(C)C)NC(=O)N[C@H]1c1ccco1,C44793464_decoy,GLCM,Decoy,0,-6.86155,-6.95,-1.53,-6.734771354754625
C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O,C45605836_decoy,GLCM,Decoy,0,-6.3298,-7.75,-2.8,-7.806328572137684
CC(C)C[NH+](CC(=O)NC(=O)NC1CC1)CC(=O)NC(=O)NC1CC1,C47550165_decoy,GLCM,Decoy,0,-7.41149,-7.37,-3.54,-9.369255157082824
CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1sccc1C(N)=O,C47998778_decoy,GLCM,Decoy,0,-7.51469,-5.73,-2.09,-7.112101869510333
COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H]([NH3+])CC(C)C)c4)cc3c2cc1OC,C49068716_decoy,GLCM,Decoy,0,-10.0771,-7.89,-1.26,-8.27085025394025
CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1cnc(NN)nc1,C49560608_decoy,GLCM,Decoy,0,-7.98748,-7.36,-3.07,-6.533220832505609
CC[NH2+][C@@](C)(CCCSc1ncnc2nc[nH]c12)C(N)=O,C51037413_decoy,GLCM,Decoy,0,-7.65654,-6.12,-0.72,-6.947025069561093
CCC[C@@H](C)NC(=O)[C@H]1CCC[NH+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)C1,C51054704_decoy,GLCM,Decoy,0,-7.16688,-8.33,-3.66,-7.160242189321663
CC(C)C[C@@H](NC(N)=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1,C58056072_decoy,GLCM,Decoy,0,-7.80748,-6.46,-4.85,-7.29843849061907
CCCNC(=O)C[NH+]1CCC(NC(=O)CNC(=O)NC2CC2)CC1,C58130101_decoy,GLCM,Decoy,0,-7.70182,-7.13,-3.27,-7.399528232738056
N/C(COc1ccc(Cl)cc1)=[NH+]\NC(=O)CNc1ncc(C(F)(F)F)cc1Cl,C12958096_decoy,GLCM,Decoy,0,-6.7015,-7.67,-1.56,-4.862849451618391
COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)cc1,C20832282_decoy,GLCM,Decoy,0,-8.3899,-7.02,-2.21,-6.351982699935141
CCc1ccccc1NC(=O)C[NH+](C)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O,C60993300_decoy,GLCM,Decoy,0,-6.81934,-8.8,-2.23,-9.372033498984113
CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C,C61596758_decoy,GLCM,Decoy,0,-10.2109,-6.59,-3.57,-8.249241914548339
CC(C)n1c(SCC[C@@](C)([NH2+]C2CC2)C(N)=O)n[nH]c1=O,C61608196_decoy,GLCM,Decoy,0,-7.7182,-7.05,-1.92,-8.068012398664665
NC(=O)CCOc1ccccc1NC(=O)NC1CC[NH+](CC(F)F)CC1,C61774141_decoy,GLCM,Decoy,0,-7.48299,-6.24,-2.03,-6.61192325410769
CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(CC(N)=O)CC(N)=O,C61804933_decoy,GLCM,Decoy,0,-8.69214,-5.28,-4.0,-7.599373141028026
NC(=O)C[NH+](CCOc1cccc(C(N)=S)c1)CC(N)=O,C61807149_decoy,GLCM,Decoy,0,-7.9439,-7.16,-4.54,-8.758585614960992
COCC[NH2+]Cc1ccc(OCC(=O)NC(N)=O)c(Br)c1,C62728168_decoy,GLCM,Decoy,0,-6.50153,-7.83,-1.59,-7.901118981686625
CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)c(=O)[nH]c1=O,C63550519_decoy,GLCM,Decoy,0,-6.91569,-7.46,-1.5,-9.682219598210809
CSCC[C@H](NC(N)=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1,C63756241_decoy,GLCM,Decoy,0,-9.687,-6.03,-2.29,-8.108167932362862
CC(=O)Nc1ccc(OC[C@@H]2NO[C@@H](C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)N2)cc1,C63781938_decoy,GLCM,Decoy,0,-7.63867,-7.07,-2.83,-6.008606995199804
NC(=O)N[C@@H](CC1=c2ccccc2=[NH+]C1)C(=O)NCc1ccc(OC(F)(F)F)cc1,C64173560_decoy,GLCM,Decoy,0,-5.14946,-6.72,-2.77,-6.156133570615922
CCCn1c(N)c(C(=O)C[NH+](CCO)C2CC2)c(=O)[nH]c1=O,C58209959_decoy,GLCM,Decoy,0,-6.06955,-6.98,-4.83,-7.189995296072091
COc1cc(C[NH+]2CCNC(=O)[C@H]2CC(=O)NN)ccc1OCC(C)C,C66115408_decoy,GLCM,Decoy,0,-8.37097,-5.79,-2.69,-6.158948847953448
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](CCC(N)=O)C2)CC1,C66120261_decoy,GLCM,Decoy,0,-8.56495,-7.91,-4.03,-8.188996233349409
CC[C@@H](C)[NH+](C)CCNC(=O)NNC(=S)NC1CCCC1,C66197125_decoy,GLCM,Decoy,0,-8.613,-6.06,-1.29,-7.643260442248833
CC[C@H](C)[NH+](C)CCNC(=O)NNC(=S)NC1CCCC1,C66197126_decoy,GLCM,Decoy,0,-7.5678,-6.78,-2.37,-7.31878214340532
N/C(NCCNc1ncc(C(F)(F)F)cc1Cl)=[NH+]/Cc1ccco1,C66242797_decoy,GLCM,Decoy,0,-7.50634,-6.38,-2.85,-6.401532386470242
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)c1,C66732053_decoy,GLCM,Decoy,0,-9.25068,-6.88,-0.99,-7.039789565691008
CCS(=O)(=O)NCC[NH2+]Cc1ccc(OCC(N)=O)cc1,C66875843_decoy,GLCM,Decoy,0,-5.86482,-6.32,-3.56,-5.663378414486783
CCCNC(=O)C[NH+]1CCC(NC(=O)NNC(=O)CC2CCCCC2)CC1,C67059576_decoy,GLCM,Decoy,0,-9.06121,-7.16,-3.18,-7.944007508461342
CCCC[C@H](NC(N)=O)C(=O)NC1CC[NH+](CC(C)C)CC1,C67264590_decoy,GLCM,Decoy,0,-7.08852,-6.57,-1.21,-6.600085819381006
CCCC[C@@H](NC(N)=O)C(=O)NC1CC[NH+](CC(C)C)CC1,C67264591_decoy,GLCM,Decoy,0,-6.91989,-7.02,-2.21,-7.650750096586629
CC[NH+](CC)CCOC(=O)c1cc(N)cc(N)c1,C01669880_decoy,GLCM,Decoy,0,-6.23243,-5.45,-2.21,-6.226296864642423
CC[NH2+]C[C@@H](O)COc1ccc(N)c([N+](=O)[O-])c1,C05499569_decoy,GLCM,Decoy,0,-5.4652,-5.81,-1.48,-6.147406850780595
C[NH+](CCCOc1ccccc1)Cc1nc(N)nc(N)n1,C29853659_decoy,GLCM,Decoy,0,-6.36085,-6.12,-2.06,-7.278150817268677
CC(C)CC[NH2+]CCNC(=O)c1nonc1N,C32500006_decoy,GLCM,Decoy,0,-6.42411,-6.48,-4.58,-6.316193804235087
CNS(=O)(=O)c1ccc(NCCC[NH+](C)C)c(N)c1,C35339793_decoy,GLCM,Decoy,0,-6.03833,-5.31,-3.21,-6.290955260886452
CCCOc1ccc(C[NH3+])c(OCC(N)=O)c1,C35413906_decoy,GLCM,Decoy,0,-7.16049,-4.73,-4.23,-3.874443048368712
NS(=O)(=O)c1ccc(NCCC[NH2+]C2CC2)cc1,C36269334_decoy,GLCM,Decoy,0,-6.92391,-6.45,-4.12,-6.414942405028313
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC,C37000441_decoy,GLCM,Decoy,0,-7.51602,-6.46,-4.94,-8.975084516939972
CCC(CC)CN(CC)C(=O)[C@H]([NH3+])CC(N)=O,C37626453_decoy,GLCM,Decoy,0,-6.81713,-5.58,-1.81,-9.146791967338444
COc1ccc([C@@H]([NH3+])CCCCC(N)=O)cc1Br,C37636660_decoy,GLCM,Decoy,0,-7.86633,-7.1,-2.6,-5.811119106731585
CC[C@@H]([NH3+])Cc1cc(OC)c(O[C@H](C)C(N)=O)c(OC)c1,C37728805_decoy,GLCM,Decoy,0,-7.69845,-6.49,-2.19,-11.092281007270396
CCCCN(CC(N)=O)C(=O)[C@@](C)([NH3+])C1CC1,C37812873_decoy,GLCM,Decoy,0,-6.43076,-5.72,-4.33,-5.006025531673421
CCCC[C@@H]([NH3+])C(=O)N(CC(N)=O)CC(C)C,C37818976_decoy,GLCM,Decoy,0,-6.90197,-5.57,-1.17,-5.346549690743499
Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C(N)=O)c(Br)c1,C37891098_decoy,GLCM,Decoy,0,-7.48863,-6.51,-1.97,-9.98940916814565
Cc1ccc(OC[C@H](O)C[NH2+]CCC(N)=O)c(C)c1,C37891599_decoy,GLCM,Decoy,0,-6.49322,-5.4,-1.88,-6.808358442573146
C[C@H]1CCCC[C@@H]1OC[C@H](O)C[NH2+]CCCC(N)=O,C37894428_decoy,GLCM,Decoy,0,-7.15107,-6.07,-2.43,-7.276859277054051
NC(=O)C1CCC([NH2+]C[C@@H](O)COC2CCCC2)CC1,C38091779_decoy,GLCM,Decoy,0,-7.60077,-6.63,-2.88,-5.006974595150351
CC(C)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O,C42212418_decoy,GLCM,Decoy,0,-6.27335,-5.43,-2.65,-4.7250258726341565
CC[C@@H](CC(N)=S)[NH+](CC(N)=O)C1CCCC1,C42428990_decoy,GLCM,Decoy,0,-6.89854,-6.09,-3.86,-7.492925917996474
CCc1ccc([C@](CC)([NH2+]CC[NH3+])C(=O)[O-])cc1,C42429266_decoy,GLCM,Decoy,0,-6.18735,-4.99,-1.21,-5.187431487031451
COC[C@@H](O)C[NH+](C)CC(=O)Nc1cc(N)ccc1Cl,C42483275_decoy,GLCM,Decoy,0,-7.35408,-7.03,-4.92,-9.550005796207076
C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CCO)CCO,C42954089_decoy,GLCM,Decoy,0,-8.21423,-4.65,-3.28,-5.425198550278443
CC(C)CN(CC(N)=O)[C@@H](C[NH3+])c1cccc(Br)c1,C43021905_decoy,GLCM,Decoy,0,-8.07139,-4.94,-4.03,-6.042794854147036
COc1cccc([C@H](C[NH3+])N(CC(N)=O)CC(C)C)c1,C43028604_decoy,GLCM,Decoy,0,-7.47309,-7.0,-4.58,-7.257985020073847
COc1ccccc1[C@@H](C[NH3+])N(CC(N)=O)C1CCCC1,C43098267_decoy,GLCM,Decoy,0,-6.01524,-6.66,-2.58,-5.018342074276242
COc1ccccc1[C@@H]([C@@H](C)[NH3+])N(CC(N)=O)C(C)C,C43098275_decoy,GLCM,Decoy,0,-6.11259,-6.81,-3.0,-5.055733243405082
Cc1ccsc1[C@@H](C[NH3+])N(CC(N)=O)CC(C)C,C43249008_decoy,GLCM,Decoy,0,-7.36191,-5.5,-1.88,-6.104754517800485
CC(C)CN(CCC[NH3+])c1ccc(S(N)(=O)=O)cc1,C43417126_decoy,GLCM,Decoy,0,-8.42827,-6.09,-2.4,-6.767006104040562
CCCOc1ccc([C@H](N)C[NH3+])cc1Cc1ccccc1,C44474402_decoy,GLCM,Decoy,0,-6.53709,-5.12,-1.81,-4.088943876964908
CC[C@H](C)c1cc([C@@H](N)C[NH3+])ccc1OCC1CC1,C44474570_decoy,GLCM,Decoy,0,-7.06331,-6.45,-0.55,-5.687997879790775
C[C@@]([NH3+])(CCCOc1ccc([N+](=O)[O-])cc1Cl)C(N)=O,C45462565_decoy,GLCM,Decoy,0,-7.14729,-6.28,-1.32,-9.776808067196892
Cc1ccc([N+](=O)[O-])c(OCCC[C@](C)([NH3+])C(N)=O)c1,C45462789_decoy,GLCM,Decoy,0,-6.81885,-6.56,-1.48,-10.50415757203549
CC(C)[NH2+][C@@](C)(CCCSCCO)C(N)=O,C45552852_decoy,GLCM,Decoy,0,-6.52317,-5.49,-1.56,-8.648736275623575
Cn1ccnc1SCCCC[C@@](C)([NH3+])C(N)=O,C45556120_decoy,GLCM,Decoy,0,-8.27343,-5.17,-1.38,-10.504127104817185
CCC[NH2+][C@@](C)(CCSc1ncn[nH]1)C(N)=O,C45557069_decoy,GLCM,Decoy,0,-8.64446,-6.12,-1.58,-7.398089077989306
Cc1nnc(SCCCC[C@](C)([NH3+])C(N)=O)s1,C45593131_decoy,GLCM,Decoy,0,-8.71058,-6.87,-1.74,-7.454450362956297
C[NH2+][C@](C)(CCCCSc1nc(C)n[nH]1)C(N)=O,C45597310_decoy,GLCM,Decoy,0,-7.72885,-6.7,-1.89,-7.651802512460054
CC[C@H](C[NH3+])C(=O)NCCCc1cn[nH]c1C,C50183015_decoy,GLCM,Decoy,0,-6.70316,-6.78,-2.16,-7.502493194712175
CCC[C@H]([NH3+])C(=O)NCCCc1cn[nH]c1C,C50183136_decoy,GLCM,Decoy,0,-7.37738,-6.71,-1.78,-7.054802696651396
CC(C)c1ncc(NN)c(C(=O)N[C@H](C)CC[NH+](C)C)n1,C51120741_decoy,GLCM,Decoy,0,-7.64829,-6.27,-3.23,-7.3515643788096385
CC(C)[NH+](CCCO)C[C@@H](O)c1ccc(N)cc1,C51324602_decoy,GLCM,Decoy,0,-6.28119,-6.1,-2.42,-5.040552756424776
CC(C)[NH+](CCCO)C[C@@H](O)c1ccccc1N,C51327087_decoy,GLCM,Decoy,0,-6.21259,-6.4,-4.91,-4.890939035384882
CSc1ccc([C@@](C)([NH2+]CCC[NH3+])C(=O)[O-])cc1,C51355530_decoy,GLCM,Decoy,0,-7.92098,-5.98,-1.23,-5.380757717537066
C[C@]([NH3+])(CCCOc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O,C51625848_decoy,GLCM,Decoy,0,-7.38603,-6.98,-2.44,-10.91508134981779
CC[C@H]1CC[C@@H]([NH3+])[C@H](CN(CCO)CCO)C1,C53870523_decoy,GLCM,Decoy,0,-8.66801,-6.17,-4.19,-8.441632006140887
CC[NH+](C)CCNC(=O)c1nc(C(C)C)ncc1NN,C54132999_decoy,GLCM,Decoy,0,-6.47303,-6.69,-1.11,-6.938141372737967
CC(C)[NH2+][C@](C)(CSc1n[nH]c(=O)n1C(C)C)C(N)=O,C61608072_decoy,GLCM,Decoy,0,-8.12305,-6.08,-1.54,-8.181915650364147
C[C@@]([NH3+])(CCCCSC1CCOCC1)C(N)=O,C62056524_decoy,GLCM,Decoy,0,-7.91013,-5.65,-0.89,-5.4163329672967455
CCC(CC)[NH+](CCOC)CC[C@H](N)C(N)=O,C62525478_decoy,GLCM,Decoy,0,-6.51943,-5.77,-4.97,-5.291807038947463
CCCCc1[nH]c(CN2CCC(N3CC(CN)=NN3)CC2)c[nH+]1,C64157937_decoy,GLCM,Decoy,0,-8.76954,-6.39,-0.9,-10.642930507240086
NC(=[NH2+])N/N=C/C(Cl)(Cl)Cl,C17002767_decoy,GLCM,Decoy,0,-7.7177,-4.1,-0.51,-5.890622683682218
Cc1nc(N)c(C#N)c(C)c1CCC[NH3+],C20397284_decoy,GLCM,Decoy,0,-6.62077,-6.95,-0.78,-6.540499979427736
[NH3+]C1(C(=O)NCC(=O)NC2CC2)CCCCC1,C35661300_decoy,GLCM,Decoy,0,-7.69189,-5.97,-0.91,-6.8794422081943765
CC[C@@H]([NH3+])[C@@H](O)c1cc(C)c(O)c(C)c1,C36779338_decoy,GLCM,Decoy,0,-6.30854,-6.49,-0.82,-6.815784494688147
CC(C)NC(=O)CNc1cc[nH+]cc1N,C36781685_decoy,GLCM,Decoy,0,-6.01663,-6.32,-1.68,-9.292634681325955
C[C@@H](COc1ccc(C[NH3+])cc1)C(N)=O,C37226639_decoy,GLCM,Decoy,0,-6.25503,-6.17,-0.65,-11.419111591907988
C[C@@]([NH3+])(C(=O)N[C@H]1CCC[C@H](O)C1)C1CC1,C37479100_decoy,GLCM,Decoy,0,-7.88017,-6.36,-1.03,-7.297240874658872
CCC(CC)N(C)C(=O)[C@H]([NH3+])CC(N)=O,C37482232_decoy,GLCM,Decoy,0,-6.31494,-5.96,-3.31,-8.432859491350081
NC(=O)NC(=O)C[NH2+]CCC1CCCCC1,C37741909_decoy,GLCM,Decoy,0,-6.98083,-7.02,-1.89,-8.805019732772683
CC(C)CCN(C)C(=O)[C@H]([NH3+])CC(N)=O,C37817942_decoy,GLCM,Decoy,0,-6.73262,-6.51,-2.96,-8.9833521154634
NC(=[NH2+])N/N=C/c1ccc(Br)cc1,C00240535_decoy,GLCM,Decoy,0,-7.64117,-4.65,-1.93,-4.422783771000698
CC(C)O[C@@H](C[NH3+])c1ccc(O)c(O)c1,C39097092_decoy,GLCM,Decoy,0,-7.56225,-5.89,-1.5,-5.45751424337441
Nc1nc(SC[C@@H]2CCCC[NH2+]2)n[nH]1,C43495507_decoy,GLCM,Decoy,0,-8.15754,-5.86,-0.29,-4.866042756300964
Nc1nc(SC[C@H]2CCCC[NH2+]2)n[nH]1,C43495510_decoy,GLCM,Decoy,0,-7.9024,-6.07,-0.77,-4.817406755145013
CC(C)C[C@@H](CO)Nc1cc(N)cc[nH+]1,C43569049_decoy,GLCM,Decoy,0,-7.38114,-5.68,-1.84,-7.704935546669069
CCOC(C#C[C@@H]([NH3+])CC(N)=O)OCC,C44252428_decoy,GLCM,Decoy,0,-7.30867,-4.12,-1.26,-5.328656663872902
Cc1cc(O)cc(C)c1C[C@H]([NH3+])CO,C44463999_decoy,GLCM,Decoy,0,-6.3292,-6.26,-1.66,-8.148271527552733
COC(=O)c1ccc2c(C[C@H]([NH3+])CO)c[nH]c2c1,C44466615_decoy,GLCM,Decoy,0,-6.84024,-7.48,-1.28,-10.182488789111488
CCCOc1cc(C)c(C(C)C)cc1[C@@H](N)C[NH3+],C44476420_decoy,GLCM,Decoy,0,-6.95619,-4.83,-3.4,-4.630519000836039
CCCOc1ccc(CCC)cc1[C@H](N)C[NH3+],C44476569_decoy,GLCM,Decoy,0,-6.7305,-4.9,-1.92,-3.847872599053324
Cc1nc(NC[C@H]2CCC[NH+](C)C2)c(N)[nH]1,C44535873_decoy,GLCM,Decoy,0,-6.63551,-6.99,-0.82,-10.841376379434244
CC(C)[C@@H](C[NH3+])C(=O)NCC(=O)NC1CC1,C44801913_decoy,GLCM,Decoy,0,-6.85604,-6.01,-1.29,-6.690250851617192
C[C@@H]1CCC[C@@H]([NH+](C)C[C@](C)(N)C(N)=O)C1,C45276496_decoy,GLCM,Decoy,0,-7.06627,-6.79,-5.48,-8.123486897049276
CC(C)CC[NH+](C)C[C@@](C)(N)C(N)=O,C45281213_decoy,GLCM,Decoy,0,-6.82105,-6.29,-4.33,-8.19497674923468
NC(=O)[C@@H](N)C[NH+]1CCC[C@@H]2CCCC[C@H]21,C45419397_decoy,GLCM,Decoy,0,-7.40022,-6.67,-3.19,-5.022125853642161
NC(=O)[C@@H](N)C[NH+]1CCC[C@H]2CCCC[C@H]21,C45419401_decoy,GLCM,Decoy,0,-6.60561,-7.04,-1.51,-5.302782189668067
CC[C@@H]1CCCC[C@H]1OC[C@](C)([NH3+])C(N)=O,C45475291_decoy,GLCM,Decoy,0,-7.30893,-6.31,-0.8,-8.92340187508663
C[C@]([NH3+])(COc1ccc(F)c(F)c1)C(N)=O,C45544454_decoy,GLCM,Decoy,0,-6.71093,-5.58,-0.8,-4.910391119514353
CC[C@H](C)SCC[C@](C)([NH3+])C(N)=O,C45553574_decoy,GLCM,Decoy,0,-7.64042,-5.22,-2.1,-5.6036126998880444
CC(C)[C@@H](C[NH+](C)C)Nc1c[nH]nc1N,C49194904_decoy,GLCM,Decoy,0,-6.69581,-6.98,-1.89,-8.34967011477993
C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(N)c[nH]1,C49500466_decoy,GLCM,Decoy,0,-6.23617,-6.61,-1.07,-9.20234642526204
NC(=O)[C@@H](C[NH3+])CC1CCCCC1,C51689964_decoy,GLCM,Decoy,0,-7.51588,-4.96,-0.54,-10.315881621565056
Cc1ccc([C@@H](C)NC(N)=[NH2+])s1,C52036215_decoy,GLCM,Decoy,0,-7.76733,-6.37,-0.47,-11.967873251190172
CC(C)C[C@@H](CO)NC(=[NH2+])NC(C)(C)C,C52043272_decoy,GLCM,Decoy,0,-6.95012,-4.63,-2.02,-4.511515264448167
C[C@@]([NH3+])(COCC1CCCCC1)C(N)=O,C52157390_decoy,GLCM,Decoy,0,-7.10357,-6.41,-0.82,-10.27376989756593
Nc1nc(SCCC[C@H]2CCC[NH2+]2)n[nH]1,C52782948_decoy,GLCM,Decoy,0,-6.80907,-6.45,-1.01,-7.153038046008186
CCc1[nH+]c(-c2cccc(OC)c2)c(N)n1N,C52838792_decoy,GLCM,Decoy,0,-5.96618,-6.83,-1.71,-8.835757297062658
CCC[C@H](C)c1[nH+]c(C2CC2)n(N)c1N,C52838985_decoy,GLCM,Decoy,0,-7.00375,-5.28,-3.44,-3.897527502893338
C[C@H](c1cc(O)ccc1O)N(C)CC[NH3+],C54416681_decoy,GLCM,Decoy,0,-6.99223,-4.76,-1.99,-4.935137968791427
CC(C)C[C@@H]([NH3+])Cc1ccc(O)c(O)c1,C54928464_decoy,GLCM,Decoy,0,-7.89269,-6.41,-1.26,-5.286709422123481
C[C@@H](C[NH2+]C1CCCCCCC1)C(=O)NN,C58845124_decoy,GLCM,Decoy,0,-6.50932,-7.02,-0.66,-7.324204118577927
CC(C)[C@@H](C)[NH2+][C@H](C)CC(=O)NN,C58862277_decoy,GLCM,Decoy,0,-5.29413,-6.28,-0.74,-7.403640589357842
C[C@H]1CCC[C@](C[NH3+])(N(C)C[C@@H](C)C(N)=O)C1,C50088978_decoy,GLCM,Decoy,0,-7.64445,-5.27,-2.01,-4.482331585417098
NC(=[NH2+])NCc1ccc(F)c(Cl)c1,C53159078_decoy,GLCM,Decoy,0,-6.28772,-6.13,-2.08,-8.03340961596014
CC[C@H]([NH2+]C(CC)(CC)CO)C(N)=O,C61677346_decoy,GLCM,Decoy,0,-5.57983,-6.17,-2.03,-7.333543647280027
CC(C)c1ccc([C@H]([NH3+])C[C@@H](C)CC(N)=O)cc1,C61830619_decoy,GLCM,Decoy,0,-6.79368,-5.64,-1.62,-4.615879642586991
NC(=O)[C@H]([NH3+])CCOC1CCCCC1,C62545821_decoy,GLCM,Decoy,0,-7.17254,-5.6,-0.41,-9.754149222342408
CC[C@@H](C)SCC[C@H]([NH3+])C(N)=O,C62597392_decoy,GLCM,Decoy,0,-7.64255,-4.86,-1.1,-9.138269062554585
CCC1(C)CC[NH+](CC[C@H](N)C(N)=O)CC1,C62956190_decoy,GLCM,Decoy,0,-7.805,-5.37,-5.38,-4.997736865442239
CC[C@H]([NH3+])Cc1ccc(S(N)(=O)=O)cc1,C63025744_decoy,GLCM,Decoy,0,-7.11581,-5.36,-1.57,-6.295923012587242
NC(=[NH2+])N/N=C/c1ccc(OC(F)F)cc1,C03222969_decoy,GLCM,Decoy,0,-8.35157,-4.71,-0.69,-5.89638779259507
CN(c1ccc(O)cc1)[C@H](C[NH3+])c1ccc[nH]1,C33434178_decoy,GLCM,Decoy,0,-7.01872,-5.88,-2.13,-4.800748200331066
CC[C@@H](C/C(N)=N/O)[NH+]1CCCC[C@@H]1CCO,C36986977_decoy,GLCM,Decoy,0,-7.31291,-5.87,-1.65,-5.097177182385113
NC(=O)NC(=O)C[NH2+]CC1CCCCC1,C37248263_decoy,GLCM,Decoy,0,-6.22903,-5.2,-1.52,-6.14720296859891
CCC[NH2+][C@](C)(C(N)=O)c1ccc(O)c(OC)c1,C37513817_decoy,GLCM,Decoy,0,-7.47962,-7.0,-2.07,-5.85613420580947
NC(=O)C1CCC(NC(=O)C[NH2+]C2CCCC2)CC1,C37626882_decoy,GLCM,Decoy,0,-7.9106,-6.64,-1.58,-7.201266201618748
Cc1c(C)c(C)c([C@H]([NH3+])CCCC(N)=O)c(C)c1C,C37636069_decoy,GLCM,Decoy,0,-6.45622,-7.48,-3.04,-5.385971903980326
CCC[C@](C)([NH3+])C(=O)N(CC(N)=O)C1CCCC1,C37813930_decoy,GLCM,Decoy,0,-6.41886,-6.07,-1.76,-4.855724366063113
CC(C)(C)[NH2+]C[C@H](O)c1cc(O)cc(O)c1,C00000746_decoy,GLCM,Decoy,0,-6.7119,-7.26,-3.12,-8.412517640202264
Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(O)cc1O,C38011168_decoy,GLCM,Decoy,0,-6.20076,-7.57,-2.18,-6.875724760534676
CC(C)[NH2+]C[C@@](C)(O)c1ccc(O)c(O)c1,C39096028_decoy,GLCM,Decoy,0,-7.44898,-6.8,-3.04,-7.494054447308581
NC(=O)c1ccsc1NC(=O)C[C@@H]1CCC[NH2+]1,C42171655_decoy,GLCM,Decoy,0,-7.16386,-7.15,0.08,-10.285282877535495
C[C@]([NH2+]CC[NH3+])(C(=O)[O-])c1ccc(Cl)c(Cl)c1,C42429202_decoy,GLCM,Decoy,0,-7.19698,-6.27,-1.78,-5.05183865091432
C[C@@H](C/C(N)=N/O)[NH+](CCO)C1CCCCC1,C42507678_decoy,GLCM,Decoy,0,-7.57243,-6.93,-1.95,-5.89247854519515
CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(N)=O,C42579542_decoy,GLCM,Decoy,0,-6.63118,-5.64,-1.93,-5.880611212018379
CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(N)=O,C42579545_decoy,GLCM,Decoy,0,-6.79749,-5.18,-2.92,-5.425026621959749
Cc1[nH]c(NCCc2ccc(F)cc2)c(N)[nH+]1,C42871569_decoy,GLCM,Decoy,0,-6.42006,-7.76,-2.76,-9.194466607439944
Cc1nc(NCCC[NH+]2CCCC[C@@H]2C)c(N)[nH]1,C42871606_decoy,GLCM,Decoy,0,-6.34175,-6.98,-1.56,-5.040621483944629
Cc1cc[nH+]c(NC[C@@H](O)c2ccc(N)cc2)c1,C43561785_decoy,GLCM,Decoy,0,-9.07122,-7.19,-4.34,-5.739733776087183
[NH3+][C@@H](CO)Cc1ccc(O[C@@H]2CCCCO2)cc1O,C44465530_decoy,GLCM,Decoy,0,-7.48195,-7.57,-0.88,-10.218878090159956
C[C@@H](CNc1cc2c(cc1N)NC(=O)CC2)[NH+](C)C,C45105968_decoy,GLCM,Decoy,0,-6.3088,-7.16,-1.13,-9.653011816932676
CC1(C)Cc2cccc(OC[C@@](C)([NH3+])C(N)=O)c2O1,C45511883_decoy,GLCM,Decoy,0,-6.99105,-6.39,-0.37,-9.17556543535488
Cc1csc(SCCC[C@](C)([NH3+])C(N)=O)n1,C45587804_decoy,GLCM,Decoy,0,-8.6807,-5.83,-3.07,-6.8516280507648055
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(N)c[nH]1,C49550971_decoy,GLCM,Decoy,0,-6.13855,-5.98,-1.01,-4.807000211361216
CC(C)(C)C1CC[NH+](C[C@H](N)C(N)=O)CC1,C50348393_decoy,GLCM,Decoy,0,-6.57856,-6.29,-0.56,-7.074516159564436
C[C@H](O)C[NH+](C)CC(=O)Nc1cc(N)ccc1Cl,C51817003_decoy,GLCM,Decoy,0,-6.43943,-7.11,-1.34,-7.187244359844225
CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1O,C52008172_decoy,GLCM,Decoy,0,-7.38083,-4.53,-3.26,-4.473476292607493
NC(=O)CC1CCN(C(=[NH2+])NC2CCCCC2)CC1,C52046087_decoy,GLCM,Decoy,0,-9.17837,-6.61,-0.55,-5.562258737600875
OCC1([NH2+]Cc2cccc(O)c2O)CCCC1,C53045758_decoy,GLCM,Decoy,0,-7.20202,-6.75,-0.5,-7.168395266648186
NC(=O)c1ccc(C[NH2+]C2(CO)CCCCC2)c(F)c1,C53097384_decoy,GLCM,Decoy,0,-6.47992,-6.96,-1.71,-6.380046823637064
C[C@H]1CCC[C@](CO)([NH2+]C[C@@H](C)C(N)=O)C1,C53126010_decoy,GLCM,Decoy,0,-6.71967,-6.24,-0.87,-4.865571104538503
C[C@@H]1CCC[C@@](CO)(NC(=[NH2+])NC(C)(C)C)C1,C53128289_decoy,GLCM,Decoy,0,-7.65442,-5.11,-2.92,-4.410804726594889
CCNC(=[NH2+])N[C@@]1(CO)CCC[C@H](C)C1,C53128317_decoy,GLCM,Decoy,0,-9.26465,-5.41,-1.6,-7.133378673069568
COCC[NH2+][C@H](C(N)=O)c1cc(C)c(O)c(C)c1,C53256607_decoy,GLCM,Decoy,0,-6.75931,-6.99,-3.0,-6.798738959972163
[NH3+]CCCCNC(=O)NC1CCCCC1,C54135641_decoy,GLCM,Decoy,0,-6.61226,-5.96,-0.92,-9.176305955198709
[NH3+]CCCCNC(=O)Nc1ccc(F)cc1F,C54135673_decoy,GLCM,Decoy,0,-6.4662,-5.23,-2.17,-8.019553196095277
Cc1ccccc1CSC[C@H]([NH3+])C(N)=O,C54964742_decoy,GLCM,Decoy,0,-7.18378,-4.46,-1.3,-6.449595805324142
NC(=O)[C@H]([NH3+])CSc1cccc(Br)c1,C55309377_decoy,GLCM,Decoy,0,-7.77418,-5.44,-4.76,-5.192638419502619
CC(C)Oc1ccc(/C=N/NC(N)=[NH2+])cc1,C41223809_decoy,GLCM,Decoy,0,-8.99962,-6.83,-1.94,-11.03836809638852
NC(=O)c1cccc(OCc2ccc(C[NH3+])cc2)c1,C57837995_decoy,GLCM,Decoy,0,-5.14527,-7.11,-2.0,-6.165012603703275
CC[NH2+][C@H](C)CC(=O)Nc1sccc1C(N)=O,C61273977_decoy,GLCM,Decoy,0,-6.63196,-5.52,-0.34,-6.731123563191509
CC[C@@H]([NH2+]C1(CO)CCCCC1)C(N)=O,C61677349_decoy,GLCM,Decoy,0,-6.71278,-5.1,-4.71,-4.97018243909761
NC(=[NH2+])NCc1ccc(OCc2cccc(F)c2)cc1,C61735273_decoy,GLCM,Decoy,0,-7.56207,-6.56,-2.65,-8.149719469421198
Cc1[nH]c(N[C@@H](C)Cc2ccc(F)cc2)c(N)[nH+]1,C62052278_decoy,GLCM,Decoy,0,-7.29319,-7.87,-2.25,-9.698839234108016
NC(=O)[C@H](N)CC[NH+]1CCC2(CCCCC2)CC1,C62532812_decoy,GLCM,Decoy,0,-7.85589,-6.09,-1.7,-4.875020421763416
NC(=O)[C@H]([NH3+])CCSc1cccc(Cl)c1,C62603295_decoy,GLCM,Decoy,0,-8.4199,-6.41,-0.79,-9.35135266994904
C[C@@H]1CCC[C@H](SCC[C@H]([NH3+])C(N)=O)C1,C62603468_decoy,GLCM,Decoy,0,-8.51996,-6.33,-0.84,-5.95913402744856
C[C@@]([NH3+])(CCSC1CCCC1)C(N)=O,C62831039_decoy,GLCM,Decoy,0,-7.67148,-5.92,-1.14,-9.933079939864111
CCC1(CC)CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1,C62958088_decoy,GLCM,Decoy,0,-7.3327,-6.85,-0.76,-10.758144172993978
CC1(C)CCC[NH+]1C[C@@](N)(C(N)=O)c1ccccc1,C63072743_decoy,GLCM,Decoy,0,-6.636,-6.37,-0.7,-4.90844389821982
Nc1ccc2c(c1)C[NH+]([C@H](CO)CCCO)C2,C11731108_decoy,GLCM,Decoy,0,-6.21617,-7.42,-0.85,-9.627610723877794
[NH3+]CCNCC(=O)NC12CC3CC(CC(C3)C1)C2,C19367280_decoy,GLCM,Decoy,0,-7.5641,-5.62,-1.13,-5.76570863464021
NC(=O)c1ccc(F)c(CSCC[NH3+])c1,C19488576_decoy,GLCM,Decoy,0,-7.31946,-5.22,-1.49,-6.770792773069902
CC(C)[C@H](CO)[NH2+]CCN[C@H](CO)C(C)C,C19878778_decoy,GLCM,Decoy,0,-6.78461,-5.54,-1.32,-7.428877361249294
CC[C@@H]([NH3+])c1ccc(O[C@H](C)C(N)=O)cc1,C20419571_decoy,GLCM,Decoy,0,-6.56773,-5.97,-0.69,-8.429201868471065
C[C@H](COc1cccc(F)c1C[NH3+])C(N)=O,C36307051_decoy,GLCM,Decoy,0,-6.03187,-5.19,-0.68,-4.587244372760458
CC(C)N(CC(N)=O)C(=O)[C@@](C)([NH3+])C1CC1,C37479044_decoy,GLCM,Decoy,0,-5.18414,-4.41,-1.94,-4.161117983294476
C[C@H](C1CC1)N(C)C(=O)[C@@H]([NH3+])CC(N)=O,C37482226_decoy,GLCM,Decoy,0,-7.50185,-6.04,-4.09,-8.179468554102192
NC(=O)CCCC[C@@H]([NH3+])c1cc(F)ccc1F,C37636079_decoy,GLCM,Decoy,0,-7.37948,-6.29,-1.86,-5.050970900801049
CC(C)Cc1ccc([C@@H]([NH3+])CCC(N)=O)cc1,C37636338_decoy,GLCM,Decoy,0,-6.72733,-5.77,-5.43,-5.559534953356144
C[NH+](CCO)Cc1ccc(/C(N)=N/O)cc1F,C37899372_decoy,GLCM,Decoy,0,-6.87951,-6.88,-1.71,-5.464936334172874
CC(C)c1ccc([C@@H]([NH3+])CC2(CC(N)=O)CCCC2)cc1,C40225028_decoy,GLCM,Decoy,0,-7.1819,-7.41,-1.88,-7.438297448145235
C[C@@H]([NH2+]C(C)(C)C(N)=O)C(=O)NC(C)(C)C,C40675272_decoy,GLCM,Decoy,0,-6.67188,-4.61,-1.31,-5.142796752623014
Nc1ccc(Cl)c(C[NH+](CCO)CCO)c1,C40694723_decoy,GLCM,Decoy,0,-6.01335,-6.34,-3.23,-8.25970276111605
C[C@H]([NH3+])Cc1cccc(Br)c1O[C@H](C)C(N)=O,C42412828_decoy,GLCM,Decoy,0,-6.33653,-5.85,-1.08,-8.486070070670742
CC[NH+](C[C@@H](C)C(N)=S)C[C@H](C)C(N)=O,C42444136_decoy,GLCM,Decoy,0,-7.43934,-5.98,-2.14,-9.120786970997589
Cc1ccsc1[C@@H]([NH3+])CCCCC(N)=O,C42730605_decoy,GLCM,Decoy,0,-6.87628,-5.43,-1.14,-4.730006030427449
Cc1nc(N[C@H](C)CC[NH+](C)C)c(N)[nH]1,C42873249_decoy,GLCM,Decoy,0,-5.64254,-5.76,-0.26,-6.454203049543522
C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)CC(N)=O,C42953033_decoy,GLCM,Decoy,0,-7.76973,-6.03,-1.29,-9.027139860151642
CC(C)N(CC(N)=O)[C@@H](c1ccsc1)[C@@H](C)[NH3+],C43123810_decoy,GLCM,Decoy,0,-7.93886,-4.15,-2.64,-4.4784774505946645
Cc1ccc([C@@H](C[NH3+])N(C)CC(N)=O)s1,C43240011_decoy,GLCM,Decoy,0,-7.48601,-4.98,-2.17,-4.437942085457337
Cc1ccsc1[C@@H]([C@H](C)[NH3+])N(CC(N)=O)C(C)C,C43248780_decoy,GLCM,Decoy,0,-6.83576,-5.44,-2.38,-4.650420481303717
C[C@H](C#N)[NH+](CC(N)=O)Cc1ccc(N)cc1,C43516820_decoy,GLCM,Decoy,0,-6.36439,-6.04,-4.44,-4.889055713677127
NC(=O)C[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1,C44251128_decoy,GLCM,Decoy,0,-6.1331,-6.19,-1.2,-10.058661968094214
CC(=O)c1cccc(-c2ccc([C@H]([NH3+])CC(N)=O)cc2)c1,C44255644_decoy,GLCM,Decoy,0,-7.808,-6.8,-0.45,-10.257131120077236
N[C@@H](C[NH3+])c1cccc(OC(F)(F)C(F)F)c1,C44469506_decoy,GLCM,Decoy,0,-6.10579,-5.33,-0.39,-5.10875949022276
N[C@@H](C[NH3+])c1ccc(OCc2cc(F)cc(F)c2)cc1,C44470169_decoy,GLCM,Decoy,0,-6.95546,-6.39,-1.21,-8.224452865166063
N[C@H](C[NH3+])c1cccc(Oc2cccc(C(F)(F)F)c2)c1,C44471666_decoy,GLCM,Decoy,0,-7.35379,-6.2,-1.14,-5.4945164431678295
Cc1cc(OCC2CC2)c([C@@H](N)C[NH3+])c(C)c1Cl,C44474838_decoy,GLCM,Decoy,0,-6.97558,-5.87,-1.3,-8.48336445226326
CCCOc1c(Cl)cc([C@@H](N)C[NH3+])cc1C(C)C,C44475274_decoy,GLCM,Decoy,0,-7.49567,-5.66,-1.04,-5.438740596781149
CCCOc1c(Cl)cc([C@H](N)C[NH3+])cc1Cl,C44475923_decoy,GLCM,Decoy,0,-7.92944,-4.71,-0.96,-4.496667628053212
CCCOc1c(F)cc([C@H](N)C[NH3+])cc1F,C44475968_decoy,GLCM,Decoy,0,-6.98255,-4.44,-0.6,-4.733277939470675
CCCOc1ccc([C@@H](N)C[NH3+])c(C)c1C,C44475999_decoy,GLCM,Decoy,0,-6.38532,-6.4,-0.76,-8.202843979326216
CCC(CC)C[NH+](CC)C[C@@H](N)C(N)=O,C45422594_decoy,GLCM,Decoy,0,-7.30294,-5.44,-1.89,-8.916998330497204
CC(C)CCOCCC[C@](C)([NH3+])C(N)=O,C45478601_decoy,GLCM,Decoy,0,-7.07189,-5.86,-0.93,-12.074518676454256
CC(C)(C)SCCC[C@](C)([NH3+])C(N)=O,C45554218_decoy,GLCM,Decoy,0,-7.96924,-5.39,-3.56,-8.010577727215543
CC[NH2+][C@H](CO)Cc1cc(O)cc(O)c1,C39100433_decoy,GLCM,Decoy,0,-7.10722,-6.58,-1.42,-7.444813749738724
CC(C)/[NH+]=C(\N)SCc1cccc(C(N)=O)c1,C47463155_decoy,GLCM,Decoy,0,-7.27421,-6.46,-2.01,-5.394171510546203
CC(C)[NH+](CC(N)=O)Cc1cccnc1N,C52726942_decoy,GLCM,Decoy,0,-5.45606,-6.77,-2.9,-8.29779487961547
CC[C@@H](C(N)=[NH2+])N1CCC[C@@H]1CCCO,C52760550_decoy,GLCM,Decoy,0,-6.80044,-6.55,-0.42,-9.357337730493883
[NH3+][C@@H]1CCCCC[C@H]1CN(CCO)CCO,C53870630_decoy,GLCM,Decoy,0,-8.11224,-6.2,-1.66,-8.050870278994951
CC[C@H](CC[NH3+])N1CCCC[C@@H]1C(N)=O,C42404556_decoy,GLCM,Decoy,0,-6.62454,-4.49,-1.86,-5.168417824016711
CC[C@@H](C[NH3+])N(CC(N)=O)C1CCCC1,C43540448_decoy,GLCM,Decoy,0,-6.85566,-5.57,-1.57,-4.982980177773876
C[NH+]1CCCN(CCC[C@@](C)(N)C(N)=O)CC1,C45380403_decoy,GLCM,Decoy,0,-6.74998,-6.59,-0.83,-6.693078584432466
C[C@@H](CN(C)C1(C[NH3+])CCCC1)C(N)=O,C50090256_decoy,GLCM,Decoy,0,-6.93265,-6.11,-0.63,-7.388832675982151
CC[C@@H](C(N)=O)[NH+](CC)C[C@@H](C)C(N)=S,C61677458_decoy,GLCM,Decoy,0,-7.05609,-5.51,-2.71,-7.480080471525274
C[C@@H](CC(N)=O)C[C@H]([NH3+])c1cc(F)ccc1F,C61829652_decoy,GLCM,Decoy,0,-6.49896,-5.87,-1.82,-9.26282746347332
C[C@H](CC(N)=O)C[C@H]([NH3+])c1ccc(F)cc1F,C61829735_decoy,GLCM,Decoy,0,-6.45963,-6.97,-2.78,-7.653725172675758
C[C@@H](CNC(=S)NN)C[NH+]1CCCC1,C62076025_decoy,GLCM,Decoy,0,-7.30197,-5.2,-1.77,-8.216452315372106
C[C@]([NH3+])(CCSCC1CCCC1)C(N)=O,C62837321_decoy,GLCM,Decoy,0,-8.26645,-4.65,-1.32,-5.382193958947146
CC[C@H]([NH3+])CSP(=O)(O)O,C05468099_decoy,GLCM,Decoy,0,-7.00896,-3.43,-0.76,-3.8999593871490608
C[C@H](OC(C)(C)C)[C@H]([NH3+])C(N)=O,C06201021_decoy,GLCM,Decoy,0,-6.8247,-5.95,-1.94,-9.19885430707094
Cc1cc(NCCC[NH3+])cc(=O)[nH]1,C16808135_decoy,GLCM,Decoy,0,-6.40872,-6.19,-0.05,-4.815620905895365
N[C@]12CN3C[NH+](C1)C[C@@](N)(C3)C2,C19300018_decoy,GLCM,Decoy,0,-6.97711,-5.37,-1.81,-1.7679510644040983
CC(C)(C)NC(=O)N[C@@H]1C[C@H]1[NH3+],C36263278_decoy,GLCM,Decoy,0,-6.56009,-5.37,-0.52,-5.718455723776167
NC(=O)NC(=O)C[NH2+]CC1CCC1,C37180678_decoy,GLCM,Decoy,0,-5.90791,-5.35,-2.02,-6.430097432905604
C[C@@H](NCC[NH3+])c1cc[nH]n1,C37908338_decoy,GLCM,Decoy,0,-5.78864,-5.43,0.32,-6.959617922304117
C[NH+]1Cc2ccc(N)c(N)c2C1,C39136116_decoy,GLCM,Decoy,0,-5.81128,-4.51,-0.3,-2.331828533469224
CC(C)[C@@H](C)[NH2+]CC(=O)NC(N)=O,C20305819_decoy,GLCM,Decoy,0,-5.20809,-5.4,-4.58,-6.356887553727746
Nc1nc(C[NH2+]CC2CC2)n[nH]1,C41050625_decoy,GLCM,Decoy,0,-5.76477,-5.58,-0.69,-5.817117819383832
CC[C@H](C)[NH2+]Cc1n[nH]c(N)n1,C41050653_decoy,GLCM,Decoy,0,-5.39003,-5.77,-0.66,-6.255194109962207
[NH3+]NC[C@@H](O)c1ccc2c(c1)OCO2,C41207250_decoy,GLCM,Decoy,0,-6.8733,-5.13,-0.12,-4.817967108622378
Nc1c[nH+]ccc1NCc1cn[nH]c1,C42358510_decoy,GLCM,Decoy,0,-5.79117,-6.06,-0.55,-5.445715321609804
CC(C)N(CC(N)=O)c1cc[nH+]cc1N,C42428313_decoy,GLCM,Decoy,0,-5.18804,-6.35,-4.3,-4.157758745259081
CCN(C[C@H](C)C[NH3+])C(N)=O,C42441987_decoy,GLCM,Decoy,0,-5.83577,-4.97,-1.27,-6.033835263472176
CCc1c(C)nn(/C(C)=C(/N)[NH3+])c1C,C43515626_decoy,GLCM,Decoy,0,-6.79874,-5.99,-1.55,-8.314910221357781
C[C@H](SCCO)C(N)=[NH2+],C43516576_decoy,GLCM,Decoy,0,-6.53677,-4.8,-0.78,-7.259030601434352
Cc1cc(C)c(C[C@@H]([NH3+])CO)[nH]1,C44464301_decoy,GLCM,Decoy,0,-6.3366,-4.42,-0.86,-4.811390067196316
Cc1ncsc1C[C@@H](N)C[NH3+],C44477269_decoy,GLCM,Decoy,0,-8.12118,-5.09,-0.18,-7.707204974800251
CC[C@H]1CCC[NH+]1C[C@](C)(N)C(N)=O,C45221138_decoy,GLCM,Decoy,0,-6.29805,-6.17,-1.42,-8.676719121284842
CC(C)[NH+](C)C[C@](C)(N)C(N)=O,C45229454_decoy,GLCM,Decoy,0,-5.98926,-5.79,-0.9,-7.050430985070308
CCOC[C@](C)([NH3+])C(N)=O,C45507085_decoy,GLCM,Decoy,0,-5.69886,-5.39,-1.31,-7.002189700590576
CC(C)(C)SC[C@H]([NH3+])C(N)=O,C45554349_decoy,GLCM,Decoy,0,-7.20072,-4.12,-0.66,-5.05016228616546
[NH3+][C@H]1CCCc2cc(O)c(O)cc2C1=O,C39100401_decoy,GLCM,Decoy,0,-7.15399,-5.74,0.37,-2.759178334953406
C[C@H](Sc1nccc(=O)[nH]1)C(N)=[NH2+],C49832648_decoy,GLCM,Decoy,0,-6.44267,-5.05,-1.59,-4.357360510827857
C[C@H](C[NH2+][C@@H]1CCCNC1=O)C(N)=O,C50396077_decoy,GLCM,Decoy,0,-5.70676,-5.56,-3.21,-4.155031747096507
C[C@@H]([NH2+][C@H]1CCCNC1=O)C(N)=O,C50396293_decoy,GLCM,Decoy,0,-5.7367,-4.71,-1.87,-3.712199374790493
[NH3+][C@H]1C[C@@H]1C(=O)N[C@@H]1CCCNC1=O,C50465704_decoy,GLCM,Decoy,0,-5.48867,-6.47,-0.41,-4.124705257747413
NC(=[NH2+])n1[nH]c2c(c1=O)CCCC2,C04613728_decoy,GLCM,Decoy,0,-7.10347,-7.33,-2.3,-6.302732976081829
C[C@H](O)CN(C)CC(N)=[NH2+],C51820768_decoy,GLCM,Decoy,0,-6.179,-4.84,-1.58,-9.166111500751931
Cc1[nH+]c(C(C)C)c(N)n1N,C52838323_decoy,GLCM,Decoy,0,-5.55126,-4.94,-0.45,-3.64119489968283
CCc1[nH+]c(C2CC2)n(N)c1N,C52838957_decoy,GLCM,Decoy,0,-6.04607,-6.05,-0.62,-4.045670490746478
C[NH2+][C@H](C)C(=O)NC(C)(C)C(N)=O,C54076072_decoy,GLCM,Decoy,0,-5.91733,-5.15,-0.75,-5.445505534236938
C[C@@H](C[NH3+])C(=O)NC1(CO)CCCC1,C54345656_decoy,GLCM,Decoy,0,-6.91317,-5.09,-0.6,-6.2094040106374
C[C@H]1[C@@H]([NH3+])CCC[C@H]1C(N)=O,C55124164_decoy,GLCM,Decoy,0,-6.09774,-5.93,-1.56,-6.385775663338008
[NH3+]CCN[C@H]1C(=O)Nc2cc(F)ccc21,C37712536_decoy,GLCM,Decoy,0,-5.09443,-6.55,-0.06,-3.9351221956045306
C[C@@H](CC[NH3+])N1CCC[C@@H]1C(N)=O,C41042529_decoy,GLCM,Decoy,0,-6.33603,-5.39,-1.43,-4.717396342871401
Nc1ccc(SCCC[NH3+])cn1,C48686959_decoy,GLCM,Decoy,0,-5.98104,-5.41,-0.81,-4.877064866885289
CC(C)[NH2+]C[C@H](C)C(=O)NN,C58848813_decoy,GLCM,Decoy,0,-5.11614,-5.6,-1.05,-6.410132149633631
CNC(=O)[C@H](C)[NH2+][C@@H](C)C(N)=O,C35149279_decoy,GLCM,Decoy,0,-6.37253,-5.61,-1.25,-6.951188813314549
CC[NH+](C)C[C@@](C)(N)C(N)=O,C22952608_decoy,GLCM,Decoy,0,-5.34851,-5.27,-1.85,-6.69587379293771
CO[C@H]1CCC[C@@H]1NC(N)=[NH2+],C52019963_decoy,GLCM,Decoy,0,-7.28571,-5.21,-0.68,-7.634666446785477
C[C@H](C(N)=O)[NH+]1CCCC[C@@H]1C(N)=O,C61679272_decoy,GLCM,Decoy,0,-6.6063,-6.66,-2.54,-8.962123350749055
C[C@@H](C(N)=[NH2+])N1CC[C@H](O)C1,C61710601_decoy,GLCM,Decoy,0,-5.77099,-5.04,0.05,-6.422631905993892
C[C@H](C(N)=[NH2+])N1CC[C@H](O)C1,C61710602_decoy,GLCM,Decoy,0,-6.42463,-5.61,-0.79,-7.069978350620263
Nc1ccc2nc(C[NH3+])cn2c1,C62152603_decoy,GLCM,Decoy,0,-5.48455,-5.9,-0.52,-4.867169301229506
Nc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1,C62716708_decoy,GLCM,Decoy,0,-5.84488,-7.26,0.13,-7.492643825330766
CC(C)NC(=O)NCC[C@H](C)[NH3+],C63170753_decoy,GLCM,Decoy,0,-5.44492,-5.31,-0.24,-5.828742068119003
NC1=[NH+]C(=S)N[C@H](C2CC2)N1,C34927005_decoy,GLCM,Decoy,0,-7.98562,-6.03,-0.31,-10.52884437595575
C[NH+]1CCN(c2ccc(N)cc2N)CC1,C66153304_decoy,GLCM,Decoy,0,-5.87967,-6.56,-0.19,-5.952222523803116
COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Nc2ccccc2OC)c1,C04635714_decoy,GLCM,Decoy,0,-6.47974,-8.05,-3.05,-5.831864303658253
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1,C04746400_decoy,GLCM,Decoy,0,-7.71946,-8.15,-2.52,-5.8649637084952015
Cc1cccc(NC(=O)CSc2nnc(-c3cccc(OC(C)C)c3)n2N)c1,C02384441_decoy,GLCM,Decoy,0,-6.96968,-6.99,-3.22,-5.0994812444087705
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)cc1,C03406286_decoy,GLCM,Decoy,0,-7.03654,-7.87,-2.23,-6.83794715943551
CCCCN(C(=O)c1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C08472349_decoy,GLCM,Decoy,0,-8.28401,-6.23,-2.4,-6.984759941486226
CC[C@@H](C)[C@H](NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)NCc1ccco1,C08479597_decoy,GLCM,Decoy,0,-6.97442,-6.66,-2.81,-5.708893833879567
Cc1c(C(=O)NNC(=S)N[C@H]2CCC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-],C15532145_decoy,GLCM,Decoy,0,-5.97306,-6.67,-1.22,-5.295331148712964
COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)[nH]n2)ccc1O,C09012532_decoy,GLCM,Decoy,0,-8.30773,-6.84,-3.55,-7.042607724380681
Cc1ccc(C(=O)CSc2nnc(N/N=C/c3ccccc3Cl)n2N)cc1,C20528247_decoy,GLCM,Decoy,0,-8.20309,-8.11,-4.84,-5.894207589116944
COc1ccc(CSc2nnc(N/N=C/c3cccc4ccccc34)n2N)cc1,C20805674_decoy,GLCM,Decoy,0,-8.09212,-6.33,-2.62,-5.255122907933629
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc2cn[nH]c12,C24440078_decoy,GLCM,Decoy,0,-8.00125,-8.12,-3.18,-6.6144724458976585
COC(=O)c1ccc(NCC(=O)NCC(=O)Nc2cccc(C)c2C)c(C)c1,C25524259_decoy,GLCM,Decoy,0,-7.08255,-7.9,-2.19,-6.68447448901697
COCCCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1,C33125849_decoy,GLCM,Decoy,0,-8.27918,-6.98,-1.93,-6.916243281949198
COc1cc(C[C@H](C)N[C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)ccc1O,C36269421_decoy,GLCM,Decoy,0,-6.95359,-8.81,-3.32,-6.800903051458172
COc1cccc(NC(=O)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)c1,C40011577_decoy,GLCM,Decoy,0,-7.51538,-8.57,-1.7,-6.627045423658817
CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2,C32889172_decoy,GLCM,Decoy,0,-6.31177,-5.81,-1.09,-5.262340990528736
CC(C)(C)c1ccc(NC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)cc1,C40096416_decoy,GLCM,Decoy,0,-6.92429,-8.74,-1.6,-6.637900971900671
CC(C)CN(CC(C)C)c1ncnc(Nc2ccc3c(c2)OCO3)c1N,C40684720_decoy,GLCM,Decoy,0,-7.22164,-6.64,-3.58,-5.128861659374701
COC(=O)c1ccc(Oc2ncnc(Nc3ccc(F)c(Cl)c3)c2N)cc1,C40700766_decoy,GLCM,Decoy,0,-7.16038,-7.25,-2.28,-6.627772918765995
COCC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1,C44122527_decoy,GLCM,Decoy,0,-6.80026,-6.3,-2.95,-5.585617985221192
CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)c1C,C44175766_decoy,GLCM,Decoy,0,-7.31998,-6.2,-3.59,-6.296228094861991
O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)NCc2ccco2)cc1,C45829183_decoy,GLCM,Decoy,0,-6.75218,-7.35,-4.41,-6.097294237679992
CCOc1cc(NC(=O)N[C@@H](C)c2ccc(NC(=O)CC)cc2)ccc1OC,C46711427_decoy,GLCM,Decoy,0,-6.91805,-8.22,-4.27,-6.729255597905427
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(=O)NCC(C)C,C50059390_decoy,GLCM,Decoy,0,-6.61009,-7.44,-3.9,-5.570264384887995
CCOc1cccc2cc([C@H](C)NC(=O)Nc3ccc(F)c(C(=O)NC)c3)oc12,C50087414_decoy,GLCM,Decoy,0,-6.98456,-8.9,-1.71,-6.466546045562702
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Nc2cccc(OCC#N)c2)c(C)c1,C56175349_decoy,GLCM,Decoy,0,-6.7762,-9.93,-1.91,-7.648831841888314
COCCOc1cccc(N[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1,C56200287_decoy,GLCM,Decoy,0,-7.58767,-6.6,-3.58,-6.240463439207867
COC(=O)Nc1ccc(NC(=O)N[C@@H](C)COc2ccc(F)cc2F)cc1,C56662969_decoy,GLCM,Decoy,0,-5.48958,-6.33,-2.52,-5.203982397323644
COc1cc(OC)c(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1Cl,C28807896_decoy,GLCM,Decoy,0,-6.9369,-6.93,-1.42,-5.413758131680708
CC(C)OCc1c(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)oc2ccccc12,C58385511_decoy,GLCM,Decoy,0,-7.01799,-9.19,-3.17,-7.593030690281037
COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1,C44082972_decoy,GLCM,Decoy,0,-7.91498,-6.88,-2.57,-8.357005539983916
Nn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccccc1,C06341479_decoy,GLCM,Decoy,0,-7.087,-7.25,-3.11,-4.844967117165727
O=C(CSc1n[nH]c(NN=C2CCCC2)n1)Nc1c(Cl)cccc1Cl,C59040380_decoy,GLCM,Decoy,0,-8.13771,-6.79,-4.14,-5.54540565397143
O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1,C59433872_decoy,GLCM,Decoy,0,-7.96506,-6.55,-1.97,-6.479751844659735
COc1cccc(-c2nnc(SCCC(=O)Nc3ccc(C)cc3C)n2N)c1,C59805242_decoy,GLCM,Decoy,0,-6.68575,-8.62,-4.25,-6.67693905494766
C/C(CC(C)C)=N\Nc1nc(SCC(=O)NC2CCCCC2)n[nH]1,C59892377_decoy,GLCM,Decoy,0,-7.29704,-7.31,-1.46,-5.4685410632075575
CC(C)(C)NC(=O)CNC(=O)Nc1ccc(OC(F)F)cc1OC(F)F,C48338923_decoy,GLCM,Decoy,0,-4.84361,-7.49,-1.66,-5.032937157608708
COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)NCC(=O)NC(C)C,C57479355_decoy,GLCM,Decoy,0,-5.52958,-7.53,-4.15,-6.703751673315798
COc1ccc(CNC(=O)CNC(=O)N[C@H](C)c2oc3ccccc3c2C)cc1,C64413493_decoy,GLCM,Decoy,0,-7.16131,-6.38,-2.55,-6.392012096224934
CCC[NH2+]Cc1cc([O-])n2nc(NCc3ccc(C(C)C)cc3)nc2n1,C35476647_decoy,GLCM,Decoy,0,-7.37288,-6.25,-3.03,-6.691036189917565
Cc1cc(C(=O)NNC(=O)NCCC(C)C)cc(C)c1OCc1cccnc1,C65133938_decoy,GLCM,Decoy,0,-7.79117,-6.8,-3.47,-5.698314185446602
O=C(NCc1nc(-c2cccs2)n[nH]1)NCc1ccccc1OC1CCCC1,C66700631_decoy,GLCM,Decoy,0,-8.98831,-8.03,-2.65,-8.76989884721706
CCOC(=O)N[C@@H](C(=O)NNC(=O)Cc1ccccc1F)C(C)C,C66839619_decoy,GLCM,Decoy,0,-6.63521,-6.0,-4.22,-5.555718616002837
C[C@@H](Nc1ccc(Oc2cccc(C#N)c2)cc1)C(=O)NC(=O)NC1CC1,C66903724_decoy,GLCM,Decoy,0,-6.43083,-8.6,-1.33,-6.569337901918035
C[C@H](NC(=O)NNC(=O)CCC1CCCCC1)c1ccc2c(c1)OCO2,C67041336_decoy,GLCM,Decoy,0,-7.37111,-8.94,-2.95,-7.081902101534238
CCOc1cccc2cc([C@@H](C)NC(=O)NNC(=O)c3sccc3C)oc12,C67042348_decoy,GLCM,Decoy,0,-6.49646,-6.94,-1.32,-6.594247907151209
COC(=O)Nc1ccc(NC(=O)NCCCc2cccc(OC)c2)cc1,C67263982_decoy,GLCM,Decoy,0,-6.15239,-6.47,-3.91,-4.897032323086552
COC(=O)Nc1cc(NC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)ccc1F,C67322694_decoy,GLCM,Decoy,0,-6.11802,-8.56,-4.75,-6.852308019044814
COC(=O)Nc1cc(NC(=O)N[C@H](C)c2ccc(OC(F)F)cc2)ccc1F,C67324280_decoy,GLCM,Decoy,0,-6.46847,-8.17,-4.03,-6.702478533940816
C[C@H](NC(=O)NCCCNc1ccccc1)c1nc(-c2ccc(F)cc2)no1,C67638216_decoy,GLCM,Decoy,0,-6.75186,-6.86,-2.62,-6.378656535344035
CCCCN(C(=O)C[NH+]1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C03324748_decoy,GLCM,Decoy,0,-7.98304,-7.97,-2.47,-9.135726229998191
NS(=O)(=O)c1ccc(CCNc2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CCCC4)cc1,C02644223_decoy,GLCM,Decoy,0,-11.3443,-7.13,-3.35,-8.231994569340829
CC(=O)NCCNC(=O)[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1,C08299081_decoy,GLCM,Decoy,0,-9.20879,-8.87,-4.87,-8.222614162641555
COc1cccc(C[NH+](C)[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1OC,C08533829_decoy,GLCM,Decoy,0,-8.62402,-7.45,-3.51,-7.339551752302675
COc1ccc(C[NH+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)c(OC)c1OC,C08983140_decoy,GLCM,Decoy,0,-8.7924,-7.41,-3.65,-8.11908311152019
CCCCn1c(C[NH+]2Cc3ccccc3C[C@H]2C(N)=O)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,C09467509_decoy,GLCM,Decoy,0,-7.81678,-7.47,-3.3,-7.00270102095749
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)[NH+](C)C)cc1OC,C10081124_decoy,GLCM,Decoy,0,-6.91888,-7.81,-3.27,-10.35203367594697
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCc3ccccc3C2)cc1,C10129777_decoy,GLCM,Decoy,0,-8.84505,-8.59,-2.46,-7.522407901170482
COCC[NH+](CC(=O)Nc1cccc(C)c1C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21,C11468765_decoy,GLCM,Decoy,0,-7.46058,-7.89,-2.49,-8.136926196619477
COC[C@@H](O)C[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O,C12146451_decoy,GLCM,Decoy,0,-8.31693,-8.45,-2.38,-8.029877933983727
COc1ccc([C@H](CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)[NH+]2CCCC2)cc1,C12328401_decoy,GLCM,Decoy,0,-6.66401,-7.72,-1.58,-7.871340869699385
CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCC[C@H]2c2nc3ccccc3s2)c(=O)[nH]c1=O,C12820069_decoy,GLCM,Decoy,0,-8.48049,-8.51,-3.6,-8.03601245621773
C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CCOc1ccccc1Cl,C15103621_decoy,GLCM,Decoy,0,-8.37196,-7.95,-2.15,-8.106436852584574
CCCCN(C(=O)C[NH+]1CCCC[C@H]1CC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C16444982_decoy,GLCM,Decoy,0,-8.15813,-6.94,-3.35,-8.817074639798129
CCCCN(C(=O)C[NH+](C)Cc1ccc(Cl)s1)c1c(N)n(CCC)c(=O)[nH]c1=O,C19530449_decoy,GLCM,Decoy,0,-9.54311,-6.27,-4.24,-7.538500158558498
C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)Cc3s/c(=N\C(=O)C[NH+](C)C)[nH]c3[C@@H](C)[C@@H]2[C@H]1O,C20504561_decoy,GLCM,Decoy,0,-10.0991,-9.14,-4.72,-8.482754231827826
COc1cc(C[NH+](C)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F,C20685813_decoy,GLCM,Decoy,0,-7.87408,-7.48,-1.78,-7.171206599178708
CCN(C(=O)C[NH+](C)[C@@H](C)c1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C23667566_decoy,GLCM,Decoy,0,-5.92963,-6.79,-3.34,-6.094601942430578
Cc1cccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCN2CC[NH2+]CC2)c1,C26805552_decoy,GLCM,Decoy,0,-8.69339,-8.27,-2.0,-8.288981167761534
C=CC[NH+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)Cc1ccc(Cl)s1,C29054913_decoy,GLCM,Decoy,0,-7.95769,-6.92,-2.94,-10.637208220062949
COc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc(Cl)c1OCC(N)=O,C32730085_decoy,GLCM,Decoy,0,-7.76028,-5.91,-2.09,-5.780458070049423
CC(C)[C@@H](Sc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C)C(=O)NC(N)=O,C36219496_decoy,GLCM,Decoy,0,-8.03782,-7.68,-2.27,-8.09363892796243
CSCC[C@@H](NC(=O)Cc1ccc(F)cc1)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12,C13569428_decoy,GLCM,Decoy,0,-11.1615,-7.37,-2.13,-9.171231865962088
CCCCn1c(N)c(N(CC(C)C)C(=O)C[NH+](C)Cc2cccc(OC)c2)c(=O)[nH]c1=O,C02652529_decoy,GLCM,Decoy,0,-7.03951,-5.95,-1.47,-6.091370203742327
CC(C)[C@@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,C39567368_decoy,GLCM,Decoy,0,-9.08728,-6.83,-2.72,-8.227706320668934
COc1cc(OC)cc(C(=O)N2C[C@@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1,C39631226_decoy,GLCM,Decoy,0,-9.4533,-8.25,-2.98,-8.73595650348245
C[C@H](CCCC(C)(C)O)NC(=O)[C@H]1CN(C(=O)c2cccnc2Cl)CC12CC[NH2+]CC2,C39631472_decoy,GLCM,Decoy,0,-9.00654,-8.04,-4.02,-9.106359192962314
COc1ccc(Br)c(C(=O)N2C[C@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1,C39631781_decoy,GLCM,Decoy,0,-9.48433,-8.58,-1.48,-8.991099382613758
CC(C)[C@H](Oc1ccccc1)C(=O)N1C[C@@H](C(=O)NCc2nc3ccccc3c(=O)[nH]2)C2(CC[NH2+]CC2)C1,C39676332_decoy,GLCM,Decoy,0,-8.45698,-8.8,-2.84,-7.933930085635433
COc1cc(OC)cc(C(=O)N2C[C@H](C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C3(CC[NH2+]CC3)C2)c1,C39676382_decoy,GLCM,Decoy,0,-9.0496,-9.6,-2.92,-9.65813848058204
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CC[NH2+]CC2,C39693413_decoy,GLCM,Decoy,0,-7.89627,-6.9,-2.97,-5.986811640757331
CC[C@@H](C)C(=O)N1C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1,C39693434_decoy,GLCM,Decoy,0,-8.42841,-6.35,-2.42,-7.254410051155241
CC[C@H](C)C(=O)N1C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1,C39693435_decoy,GLCM,Decoy,0,-8.51517,-5.63,-4.23,-6.423408368469018
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,C39693475_decoy,GLCM,Decoy,0,-8.40084,-7.11,-3.0,-6.599728504394215
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,C39693584_decoy,GLCM,Decoy,0,-9.74635,-6.16,-3.3,-7.959621799551461
CCC[C@@H]1[N-][C@H](C(C)(C)O)[C@H](C(=O)[O-])[NH+]1Cc1ccc(-c2ccccc2C2[NH+]=NN=[NH+]2)cc1,C39741146_decoy,GLCM,Decoy,0,-6.962,-8.39,-4.04,-7.71654035681918
COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(CO)o3)C[NH+]12,C22922353_decoy,GLCM,Decoy,0,-7.53958,-6.65,-3.67,-6.479555602080996
C[C@H]([NH3+])C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccncc3)o2)c1,C40893122_decoy,GLCM,Decoy,0,-8.18216,-9.25,-4.65,-8.580997889763697
O=C([O-])[C@H](C[NH2+]Cc1ccccn1)[C@H]([NH2+]Cc1ccccn1)c1ccc(Br)cc1,C43209031_decoy,GLCM,Decoy,0,-8.15201,-7.33,-2.46,-7.774880749687653
CC(=O)[C@]1(O)CC[C@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCCc5c[nH]c[nH+]5)CC[C@@]4(C)[C@@H]3CC[C@]21C,C43737047_decoy,GLCM,Decoy,0,-9.93344,-8.78,-2.24,-7.00650886837391
CC[NH2+][C@@H](COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,C50441519_decoy,GLCM,Decoy,0,-7.93078,-4.95,-1.3,-5.7412629638271895
C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCN(C(=O)CCn2ccc3cc[nH+]cc32)CC1,C57773719_decoy,GLCM,Decoy,0,-7.9251,-7.56,-4.19,-6.921385249225906
CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[NH+](C)CCN(C)C)[C@]12C,C57774725_decoy,GLCM,Decoy,0,-8.11122,-6.7,-4.07,-6.71433124181501
CCc1ccc(-[n+]2c(SCC(=O)NCc3ccco3)nc3n[nH]c(C)c3c2N)cc1,C33626475_decoy,GLCM,Decoy,0,-9.78228,-8.78,-3.15,-8.17934397398416
CC(C)CN(C(=O)C[NH+](C)[C@H](C)c1ccccc1F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C59373857_decoy,GLCM,Decoy,0,-6.13441,-5.52,-2.46,-5.005813688262935
O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CS(=O)(=O)C[C@H]1[NH+]1CCCCC1,C60362728_decoy,GLCM,Decoy,0,-8.35019,-7.12,-1.18,-7.071773669232576
C[NH2+][C@H](CCOc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,C62595581_decoy,GLCM,Decoy,0,-7.97024,-4.98,-1.57,-5.655737121171696
NC(=O)c1ccc(NC(=O)CSc2nnc(C3=c4ccccc4=[NH+]C3)n2C2CC2)cc1,C63209712_decoy,GLCM,Decoy,0,-4.68701,-8.93,-3.36,-6.070619975192708
COc1ccc2c(c1)=C[C@@H](C(=O)NNC(=O)COCC(=O)NC13CC4CC(CC(C4)C1)C3)[NH+]=2,C63625886_decoy,GLCM,Decoy,0,-7.99381,-7.26,-3.7,-5.673941109677239
O=C(CS[C@H]1NN[C@@H](N2CCN(C(=O)CC3=c4ccccc4=[NH+]C3)CC2)S1)NCc1ccco1,C64409699_decoy,GLCM,Decoy,0,-7.12701,-9.11,-2.37,-7.141965028781844
C[C@H]([NH3+])C(N)=O,C02046876_decoy,GLCM,Decoy,0,-5.29029,-4.16,-1.4,-5.392791746056057
[NH3+]COC[C@H]([NH3+])C(=O)[O-],C12358965_decoy,GLCM,Decoy,0,-6.60553,-4.64,-0.75,-4.420752413299537
C[C@H]([NH3+])c1nc(-c2cccc(N)c2)cs1,C11886618_decoy,GLCM,Decoy,0,-5.73498,-6.41,-0.98,-5.685162406195079
C[C@H]([NH3+])c1nc(-c2ccc(N)cc2)cs1,C11886578_decoy,GLCM,Decoy,0,-7.60813,-6.97,0.06,-8.78513807087514
Cc1n[nH]c(C)c1S(=O)(=O)C[C@@H](O)C[NH3+],C19685772_decoy,GLCM,Decoy,0,-5.43302,-6.47,-0.83,-6.937781754882846
NC(=[NH2+])SCc1cc(=O)[nH]c(=O)[nH]1,C05749071_decoy,GLCM,Decoy,0,-7.50109,-6.67,-1.23,-7.930776424803096
NC(=O)C[NH2+][C@@H]1CCCCNC1=O,C20056910_decoy,GLCM,Decoy,0,-6.09844,-6.13,-3.38,-7.447994395767408
NC(=O)[C@H]1CCCN1CC[NH3+],C20294535_decoy,GLCM,Decoy,0,-6.80964,-5.38,-0.25,-8.614951608982098
C[C@@H]([NH2+]CC(N)=O)C(N)=O,C20361889_decoy,GLCM,Decoy,0,-6.04218,-5.47,-0.96,-7.03175430628383
NC(=[NH2+])NCCc1ncc[nH]1,C26747738_decoy,GLCM,Decoy,0,-6.72783,-4.65,-0.57,-4.607296464782284
N[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1,C35677117_decoy,GLCM,Decoy,0,-5.55655,-4.56,-0.58,-3.618219193669864
Nc1cnn(C[C@H](O)C[NH+]2CCNC(=O)C2)c1,C36988056_decoy,GLCM,Decoy,0,-6.33444,-6.01,-0.87,-8.014684969141852
NC(=O)NC(=O)CN1CCN(CC[NH3+])CC1,C37039580_decoy,GLCM,Decoy,0,-7.32324,-5.98,-0.6,-7.150237368108522
NNC(=O)[C@H]1[NH2+]C[C@H]2C[C@H]21,C39064058_decoy,GLCM,Decoy,0,-5.84652,-5.01,-1.13,-3.810824850889068
NC1=NC(=O)[C@H](C[NH3+])S1,C33852249_decoy,GLCM,Decoy,0,-7.40777,-4.97,-0.48,-6.25283454914524
NN/C(N)=[NH+]/C[C@@H]1CCOC1,C39136571_decoy,GLCM,Decoy,0,-6.73252,-5.29,-0.25,-4.231877936741281
NC(=O)C1(N)CC[NH2+]CC1,C40695181_decoy,GLCM,Decoy,0,-6.31804,-4.9,-0.64,-3.605276392120475
CSCC[C@@H]([NH3+])c1n[nH]c(N)n1,C41050683_decoy,GLCM,Decoy,0,-8.01293,-5.81,-1.69,-9.537050575011582
[NH3+][C@@H](CCO)c1n[nH]c(=O)[nH]1,C42040289_decoy,GLCM,Decoy,0,-7.09561,-5.12,-0.78,-3.976980593483857
[NH3+][C@@H](CO)c1n[nH]c(=O)[nH]1,C42040416_decoy,GLCM,Decoy,0,-5.93439,-5.37,-0.11,-3.617457809356073
CC(C)([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)[O-],C42431699_decoy,GLCM,Decoy,0,-5.23475,-5.05,-1.86,-3.6387945955356695
CNC(=O)[C@H](C)[NH2+]C[C@@H](C)C(N)=O,C42562748_decoy,GLCM,Decoy,0,-5.79169,-5.2,-1.31,-6.214681159761819
CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)NC,C42562922_decoy,GLCM,Decoy,0,-5.42006,-6.54,-1.41,-6.892291185207988
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)NC,C42562926_decoy,GLCM,Decoy,0,-6.30771,-6.49,-1.37,-7.435335840659876
CN(CC(N)=O)[C@@H](C[NH3+])c1cnn(C)c1,C43127138_decoy,GLCM,Decoy,0,-6.85478,-5.97,-2.29,-6.935204190627635
Nc1cc[nH+]cc1[C@H]([NH3+])CC(=O)[O-],C44219698_decoy,GLCM,Decoy,0,-5.84079,-5.19,-0.95,-3.892136640315959
CSC(SC)=C(CN)C[NH3+],C44249151_decoy,GLCM,Decoy,0,-8.95527,-4.23,-3.46,-9.49112380470389
NC(=O)C[C@@H]([NH3+])c1cc(F)cc(F)c1,C44250910_decoy,GLCM,Decoy,0,-6.83295,-6.43,-1.02,-11.796048733742047
Cc1c(F)cc([C@@H]([NH3+])CC(N)=O)c(F)c1F,C44252228_decoy,GLCM,Decoy,0,-6.89704,-7.31,-0.43,-10.705804987800343
Cc1nn(C(C)(C)C)c(C)c1[C@H]([NH3+])CC(N)=O,C44253722_decoy,GLCM,Decoy,0,-6.67973,-5.79,-3.59,-7.6695222093428095
CSc1nc([C@@H]([NH3+])CC(N)=O)ccc1C#N,C44253994_decoy,GLCM,Decoy,0,-8.8281,-7.11,-2.05,-10.658048515329984
NC(=O)C[C@H]([NH3+])c1cc(Br)c[nH]1,C44255231_decoy,GLCM,Decoy,0,-7.36632,-5.99,-0.66,-4.973417740885694
CC[C@H]([NH3+])Cc1c(N)n(C)c(=O)n(C)c1=O,C44400269_decoy,GLCM,Decoy,0,-6.60175,-5.83,-0.77,-9.43017879882657
N[C@@H](C[NH3+])c1c(F)c(F)cc(F)c1F,C44469933_decoy,GLCM,Decoy,0,-6.05241,-7.52,-0.89,-5.043329909548652
N[C@@H](C[NH3+])c1ccc2nsnc2c1,C44470254_decoy,GLCM,Decoy,0,-8.10315,-6.38,-1.08,-5.241212177601457
Cc1cccc([C@H](N)C[NH3+])c1C,C44470315_decoy,GLCM,Decoy,0,-5.07951,-6.75,-0.78,-7.5509616295455215
N[C@H](C[NH3+])c1cc(F)cc(Br)c1,C44471274_decoy,GLCM,Decoy,0,-5.55282,-4.89,-0.75,-3.940973574260475
CSc1ccccc1[C@H](N)C[NH3+],C44472032_decoy,GLCM,Decoy,0,-5.65105,-6.16,-1.06,-9.426162931228284
Cc1cc(C)n(-c2ccc([C@@H](N)C[NH3+])cc2)n1,C44476896_decoy,GLCM,Decoy,0,-6.61241,-5.02,-2.25,-4.26291478404093
Nc1nc(N)nc(C[NH+](CCO)C2CC2)n1,C50104024_decoy,GLCM,Decoy,0,-5.66202,-5.93,-2.59,-4.536668325824078
C[C@@H](CC#N)NC(=O)[C@@H]([NH3+])CC(N)=O,C50392217_decoy,GLCM,Decoy,0,-7.85761,-5.36,-1.42,-7.7038364370506915
[NH3+]CCCS(=O)(=O)N[C@@H]1CCCNC1=O,C50397622_decoy,GLCM,Decoy,0,-7.51701,-6.41,-1.27,-5.664764485690524
NC(=O)[C@@H]([NH3+])CSc1ncnc2nc[nH]c12,C51037332_decoy,GLCM,Decoy,0,-7.41988,-5.3,-0.5,-6.530650597893416
COCC[C@H]([NH3+])C(N)=O,C52791060_decoy,GLCM,Decoy,0,-5.82538,-4.55,0.17,-8.009063898487142
[NH3+][C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCO,C55088843_decoy,GLCM,Decoy,0,-6.74175,-5.43,-1.38,-4.656581484559789
C[C@H](NC(=O)C[NH+]1CCCNCC1)C(N)=O,C61269694_decoy,GLCM,Decoy,0,-6.16062,-6.48,-0.61,-7.009557441827435
CNC(=O)NC(=O)[C@@H](C)n1cnc(C[NH3+])n1,C61842984_decoy,GLCM,Decoy,0,-7.38325,-6.86,-1.15,-7.736690967547964
C[C@H](Cn1cnc(C[NH3+])n1)C(N)=O,C61843036_decoy,GLCM,Decoy,0,-5.97452,-6.0,-0.59,-7.088442732328237
[NH3+]CCCc1n[nH]c(-c2ncn[nH]2)n1,C61844160_decoy,GLCM,Decoy,0,-8.09846,-6.77,0.29,-6.958074069270883
NC(=O)C[C@@H]([NH3+])C(=O)N1CCNC(=O)CC1,C62100211_decoy,GLCM,Decoy,0,-6.29429,-7.09,-1.67,-7.095433912100033
CC(=O)NC(N)=[NH2+],C01560549_decoy,GLCM,Decoy,0,-5.59789,-4.97,-0.13,-7.953565219724754
N#C[C@@H]([NH3+])C(N)=O,C04291243_decoy,GLCM,Decoy,0,-5.36215,-4.55,-0.26,-5.156830047785588
NC(=[NH2+])c1nc(N)cc(=O)[nH]1,C04715282_decoy,GLCM,Decoy,0,-5.98234,-6.09,-1.24,-5.583465589262712
C/C(CN1C(=O)CCC1=O)=N\NC(N)=[NH2+],C04957036_decoy,GLCM,Decoy,0,-6.71567,-5.75,-1.1,-4.38270303262492
C[NH+]=C(NN)NN,C04984227_decoy,GLCM,Decoy,0,-5.3098,-3.59,-0.4,-3.605641242955752
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NN,C01607136_decoy,GLCM,Decoy,0,-6.33496,-4.52,0.12,-4.672147619349853
NC(=O)NC(=[NH2+])Cn1cncn1,C01387894_decoy,GLCM,Decoy,0,-6.33665,-5.49,-2.12,-6.715723406870221
COCCN1C[C@@H](C(N)=[NH2+])C(=O)NC1=O,C04013353_decoy,GLCM,Decoy,0,-6.6625,-6.76,-0.92,-8.429905671193458
NC(=[NH2+])N[C@@H]1NC(=O)NC1=O,C16887597_decoy,GLCM,Decoy,0,-7.06895,-5.06,-1.31,-4.142732842094762
[NH3+]C[C@H](O)CSc1nnc[nH]1,C19865112_decoy,GLCM,Decoy,0,-7.81777,-4.61,0.12,-4.478306616585292
C[C@H]([NH3+])c1ccc2c(c1)NC(=O)CC(=O)N2,C19971620_decoy,GLCM,Decoy,0,-6.7847,-8.27,-0.45,-5.9324702382405015
COC(=O)C[NH2+][C@H](C)C(=O)NC(N)=O,C20361282_decoy,GLCM,Decoy,0,-6.32265,-5.34,-3.0,-4.654394950846999
CNC(=O)NC(=O)[C@H](C)[NH2+]CC(N)=O,C20361884_decoy,GLCM,Decoy,0,-6.22082,-6.39,-0.4,-9.911521762062106
Nn1cnnc1SCCC[NH3+],C20396531_decoy,GLCM,Decoy,0,-7.12152,-5.36,-0.66,-6.449472527499898
[NH3+]CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-],C35024721_decoy,GLCM,Decoy,0,-7.40512,-5.54,-1.03,-5.01840418314703
CC(C)C[C@H]([NH3+])[C@H](O)C(N)=O,C35050507_decoy,GLCM,Decoy,0,-6.84872,-5.86,-0.92,-10.239867123392427
CC(=O)NCC[NH2+][C@H](C)C(N)=O,C35138448_decoy,GLCM,Decoy,0,-5.6602,-4.76,-1.01,-6.100407133005207
NC1(C[NH3+])CCOCC1,C36304943_decoy,GLCM,Decoy,0,-6.06291,-5.05,-0.23,-6.429020586115505
C[C@H]([NH2+]CCC(N)=O)C(=O)NC(N)=O,C36747278_decoy,GLCM,Decoy,0,-6.31817,-5.66,-0.64,-4.8974694928303375
C[C@@H]([NH2+][C@H]1CC(=O)NC1=O)C(N)=O,C36853677_decoy,GLCM,Decoy,0,-6.44946,-6.4,-0.91,-6.967894265643695
C[C@H](C[NH+](C)CC(N)=O)C(N)=S,C37268620_decoy,GLCM,Decoy,0,-6.25689,-5.5,-2.64,-8.612589684393804
NC(=O)CSc1nnc(CC[NH3+])o1,C01272588_decoy,GLCM,Decoy,0,-7.62425,-5.44,-1.06,-7.290194755044097
[NH3+]C[C@@H](O)c1cc(O)c(O)cc1F,C03871196_decoy,GLCM,Decoy,0,-7.51869,-6.74,-0.58,-4.97698254454618
Cn1c(N)c[n+](C)c1NN,C39078805_decoy,GLCM,Decoy,0,-5.50623,-5.48,-0.54,-5.917674214712817
[H]/N=C(/N)NC(=[NH2+])[S@@](=O)O,C22113380_decoy,GLCM,Decoy,0,-7.68386,-5.01,-0.77,-4.69186463873802
CCC[C@H]([NH3+])c1n[nH]c(N)n1,C41050622_decoy,GLCM,Decoy,0,-6.51439,-5.66,-2.04,-6.809176259293373
CCCc1nc([C@H]([NH3+])[C@@H](C)O)n[nH]1,C41058626_decoy,GLCM,Decoy,0,-6.73943,-4.97,-0.71,-5.549702733097321
[NH3+]CC[NH2+][C@]1(C(=O)[O-])CCSC1,C42429485_decoy,GLCM,Decoy,0,-5.7676,-5.42,-0.76,-5.518864053362244
NC(=O)C[C@H]([NH3+])c1cc([N+](=O)[O-])ccc1F,C44251120_decoy,GLCM,Decoy,0,-6.04947,-7.27,-0.49,-10.937499301323362
NC(=O)C[C@@H]([NH3+])[C@H](O)CO,C44252850_decoy,GLCM,Decoy,0,-6.42508,-5.6,-1.08,-6.994295460808279
N#CCCn1cccc1[C@H]([NH3+])CC(N)=O,C44255245_decoy,GLCM,Decoy,0,-7.43838,-6.82,-1.24,-9.192320827837865
Nc1ncc(CC[NH3+])c(N)n1,C44397354_decoy,GLCM,Decoy,0,-6.32725,-4.95,-0.68,-3.6841335835852473
C[C@H]([NH3+])Cc1cnc(N)nc1N,C44461243_decoy,GLCM,Decoy,0,-6.32584,-4.68,-0.97,-4.301175759847695
N[C@@H](C[NH3+])c1cccc(-c2ccsc2)n1,C44472532_decoy,GLCM,Decoy,0,-7.7709,-7.29,-0.17,-11.80930464645312
N[C@@H](C[NH3+])c1ccc(OC2CCCC2)nc1,C44472940_decoy,GLCM,Decoy,0,-7.23094,-5.53,-0.41,-8.625290078556464
N/C(=[NH+]\NC1=NCCN1)c1cnccn1,C44550047_decoy,GLCM,Decoy,0,-7.80771,-6.4,-0.74,-6.684570193131724
CC[C@@H](C[NH3+])C(=O)N[C@H](C)C(N)=O,C44801558_decoy,GLCM,Decoy,0,-6.12723,-6.16,-1.21,-7.328634167163609
N#C[C@H](N)C[NH+]1CCC(CC(N)=O)CC1,C45320936_decoy,GLCM,Decoy,0,-6.98717,-5.58,-1.69,-7.874100722628033
C[C@@]([NH3+])(Cn1ccnc1)C(N)=O,C45432090_decoy,GLCM,Decoy,0,-7.03862,-5.79,-0.27,-7.093035376892644
NC(=O)[C@H]([NH3+])Cn1cncn1,C45435673_decoy,GLCM,Decoy,0,-6.69108,-6.02,-0.85,-7.120103136749687
C[C@]1(O)C[C@@](C)(O)NC(N)=[NH+]1,C45793311_decoy,GLCM,Decoy,0,-6.87134,-7.08,-0.24,-6.31911891598704
Cc1nc([C@@H]([NH3+])CCO)n[nH]1,C48630626_decoy,GLCM,Decoy,0,-6.62106,-6.04,-0.31,-4.498825045440023
NC(=O)CNCCC[NH3+],C51355677_decoy,GLCM,Decoy,0,-5.34185,-4.73,-0.96,-6.4393044066185485
COCC[C@H]([NH3+])c1n[nH]c(N)n1,C52785670_decoy,GLCM,Decoy,0,-6.74597,-6.27,-0.45,-8.758980765761628
NC(=[NH2+])c1nccnc1N(CCO)C1CC1,C54379969_decoy,GLCM,Decoy,0,-7.13613,-6.04,-2.87,-9.066246211600424
C[C@@H](C[NH3+])C(=O)NC(C)(C)C(N)=O,C45108066_decoy,GLCM,Decoy,0,-6.28595,-4.28,-0.6,-5.342102754741092
NC(=O)CN(CC(N)=O)[C@@H]1CCC[C@H]1[NH3+],C61808389_decoy,GLCM,Decoy,0,-7.29703,-6.13,-1.13,-7.932521262127145
C[NH+]1CC[C@@](N)(C(N)=O)C1,C61990955_decoy,GLCM,Decoy,0,-5.99171,-5.72,-0.37,-6.574734416059139
N#C[C@@H](N)CC[NH+]1CCC[C@@H](C(N)=O)C1,C62368455_decoy,GLCM,Decoy,0,-6.90523,-6.33,-1.9,-7.435622787253901
CNC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]CCN1,C62813050_decoy,GLCM,Decoy,0,-6.59569,-5.98,-0.46,-7.291534892960668
C/C=C(\C)C(=O)Nc1ccccc1C[C@@H]1c2ccccc2CC[NH+]1C,C04299756_decoy,GLCM,Decoy,0,-6.10353,-8.8,-5.1,-5.225044605379473
Cc1ccc(CSC2=NC[NH+](C(C)(C)CC(C)(C)C)CN2)cc1,C03138707_decoy,GLCM,Decoy,0,-8.2052,-7.05,-5.1,-6.424378050500741
COc1ccc([C@@H](c2c(C)[nH]c3ccccc23)[NH+]2CCCC2)cc1,C00072149_decoy,GLCM,Decoy,0,-6.55675,-5.5,-4.17,-4.77142668380269
O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCCC1,C00134450_decoy,GLCM,Decoy,0,-6.64047,-7.49,-1.33,-5.838356973744554
Oc1c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)ccc2cccnc12,C00038304_decoy,GLCM,Decoy,0,-5.83626,-6.45,-2.74,-4.078368883627859
Clc1ccc(Cl)c(-c2ccc(C[NH2+]Cc3ccco3)o2)c1,C07524561_decoy,GLCM,Decoy,0,-7.41772,-5.92,-2.35,-5.253170561863663
CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1,C08314498_decoy,GLCM,Decoy,0,-6.31481,-8.57,-2.69,-6.630298856679588
O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(SC(F)(F)F)cc2)C1,C22154230_decoy,GLCM,Decoy,0,-7.249,-5.85,-0.63,-6.253712813223324
C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCO2)c1ccccc1Cl,C22781521_decoy,GLCM,Decoy,0,-6.78336,-8.08,-1.0,-5.432455143090317
C[C@@H]1C[C@H](C)C[NH+](C[C@@H](O)CCO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C1,C28295472_decoy,GLCM,Decoy,0,-8.04907,-7.4,-1.42,-11.121631482730017
C[NH+](C)CCOc1ccc(-c2cc(Cl)cc(Cl)c2O)cc1,C32004758_decoy,GLCM,Decoy,0,-7.28631,-7.11,-2.75,-10.130634940011689
CCC[C@H](C)[C@H]([NH2+]CC)c1cc2c(cc1Br)OCCO2,C35557118_decoy,GLCM,Decoy,0,-6.3267,-5.81,-1.48,-6.5031574474416685
CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2,C35558325_decoy,GLCM,Decoy,0,-7.3144,-5.44,-2.19,-4.499964408166423
CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2,C35558328_decoy,GLCM,Decoy,0,-7.06591,-5.18,-0.83,-5.383771489766831
CCC[NH2+][C@H](c1cc2c(cc1Br)OCCO2)[C@H](C)CC,C35584618_decoy,GLCM,Decoy,0,-6.82033,-5.68,-1.01,-6.585043995996424
CCc1[nH+]c2ccccn2c1NCc1ccc(Cl)c(Cl)c1,C01412701_decoy,GLCM,Decoy,0,-6.32396,-7.13,-2.7,-4.792160053744223
C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(Cl)cc1Cl,C36167783_decoy,GLCM,Decoy,0,-6.51085,-7.83,-1.19,-9.531189947806777
C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1ccc(OC(F)F)c(Cl)c1,C36908021_decoy,GLCM,Decoy,0,-6.35343,-6.71,-1.44,-9.903188383445949
CC[NH+]1CCC[C@H]([C@@H](C)Nc2c(Cl)ccc3scnc23)C1,C36922924_decoy,GLCM,Decoy,0,-8.81985,-7.91,-2.92,-7.990047392076491
COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1Br,C37105974_decoy,GLCM,Decoy,0,-6.25954,-7.73,-3.18,-6.799437919364957
CCC[NH2+][C@H](c1ccc(OC)cc1Br)c1occc1C,C37445562_decoy,GLCM,Decoy,0,-6.74314,-6.5,-1.87,-7.997363253350665
Cc1ccc2[nH+]c(CN[C@H](c3ccc(F)cc3)c3cccs3)cn2c1,C12750008_decoy,GLCM,Decoy,0,-7.56415,-7.84,-0.81,-7.970591026583542
Cc1ccc2[nH+]c(-c3ccsc3)c(Nc3ccccc3C)n2c1,C00427510_decoy,GLCM,Decoy,0,-8.21294,-7.83,-1.88,-5.45311493532068
COc1ccc2[nH+]ccc(Nc3ccccc3Br)c2c1,C41055482_decoy,GLCM,Decoy,0,-7.00875,-5.24,-0.92,-4.444379916567092
C[NH2+][C@@H](c1nc(C(C)(C)C)cs1)c1cc(Br)ccc1OC,C41187132_decoy,GLCM,Decoy,0,-8.16072,-5.15,-2.24,-6.227398693448177
Cc1ccc([C@H](Oc2cccc(Cl)c2Cl)C2CC[NH2+]CC2)nc1,C43021303_decoy,GLCM,Decoy,0,-7.61691,-5.74,-1.79,-5.137785763801709
CCC[NH2+][C@@H]1C(=O)N(CC2CCCC2)c2cc(Br)ccc21,C48742341_decoy,GLCM,Decoy,0,-6.33469,-6.36,-3.67,-6.089150630543336
CN(c1ncc(Br)cc1C[NH2+]C(C)(C)C)C1CCCCC1,C51434505_decoy,GLCM,Decoy,0,-7.8649,-6.77,-1.78,-8.433728182785611
CC[NH2+]Cc1nc(N(C)Cc2ccc(Cl)cc2)ccc1Cl,C51520241_decoy,GLCM,Decoy,0,-7.91296,-6.43,-3.69,-9.315206395125054
Brc1cnc(OC2CCCCCC2)c(C[NH2+]C2CC2)c1,C51549157_decoy,GLCM,Decoy,0,-7.74542,-6.43,-4.23,-6.959728187448857
CCC[NH2+]Cc1cnc(Oc2cc(C)ccc2Cl)c(Cl)c1,C51570813_decoy,GLCM,Decoy,0,-7.94105,-6.29,-1.02,-5.612064049232423
CC[NH2+]Cc1cnc(Oc2ccc(Cl)c(CC)c2)c(Cl)c1,C51571175_decoy,GLCM,Decoy,0,-6.38694,-6.87,-3.53,-7.754452267338268
CC(C)(C)[NH2+]Cc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1,C51571486_decoy,GLCM,Decoy,0,-7.03134,-7.78,-1.38,-7.179632624792873
CC(C)[NH2+]Cc1cnc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1,C51571673_decoy,GLCM,Decoy,0,-6.88443,-7.06,-2.61,-9.070835255053488
C[NH2+]Cc1coc(COc2ccc3cc(Br)ccc3c2)c1,C52677248_decoy,GLCM,Decoy,0,-7.41721,-7.56,-1.07,-8.098726734791496
CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COc2cc(Cl)cc(Cl)c2)O1,C52701255_decoy,GLCM,Decoy,0,-7.63613,-6.27,-0.96,-7.11812577346971
C[C@H]([NH2+]CCOc1cc(Cl)c(Cl)cc1Cl)c1ccco1,C53567962_decoy,GLCM,Decoy,0,-6.49323,-5.68,-2.59,-4.466639149572311
CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)c1ccco1,C54105551_decoy,GLCM,Decoy,0,-6.4926,-6.48,-5.33,-6.434230228034262
Cc1ccc(Oc2ncc(Br)cc2C[NH2+]C(C)C)c(Cl)c1,C54352874_decoy,GLCM,Decoy,0,-7.21013,-6.01,-1.41,-5.944189776532877
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1[NH+]1CCCCC1,C00521805_decoy,GLCM,Decoy,0,-7.9209,-6.79,-0.84,-6.873933749734991
c1ccc(Cc2nc3ccccc3n2CC[C@H]2CCCC[NH2+]2)cc1,C57866566_decoy,GLCM,Decoy,0,-6.88474,-7.55,-1.28,-5.377709055313584
CC(C)(C)c1nc2cc(F)c(F)cc2n1CC[C@H]1CCCC[NH2+]1,C57866752_decoy,GLCM,Decoy,0,-7.21487,-6.76,-1.1,-6.89937585560333
C[NH2+][C@H](c1ccc2nccnc2c1)c1cc(Cl)sc1Cl,C61414342_decoy,GLCM,Decoy,0,-7.00083,-5.07,-1.14,-3.3637010427585143
CCC[NH2+][C@H](C)c1ccc(N2C[C@H](C)OC[C@@H]2C)c(Br)c1,C61695221_decoy,GLCM,Decoy,0,-7.59173,-8.08,-1.18,-7.521711883555142
C[NH2+][C@H](C)c1ccc(Oc2ccccc2C#N)c(Br)c1,C61699010_decoy,GLCM,Decoy,0,-6.43598,-7.06,-1.56,-9.931807366114416
C[NH2+][C@@H](C)c1ccc(Oc2cccc(F)c2C#N)c(Br)c1,C61699421_decoy,GLCM,Decoy,0,-6.85249,-7.08,-1.61,-8.717857167431825
CC[C@H]1C=C2C=C(C(=O)NCCC3=c4cc(C)ccc4=[NH+][C@@H]3C)S[C@H]2S1,C63515278_decoy,GLCM,Decoy,0,-6.95855,-8.2,-1.2,-6.629330003835121
O=C(NCCC1=CCCCC1)[C@H]1CCCC2=c3ccccc3=[NH+][C@@H]21,C63745872_decoy,GLCM,Decoy,0,-6.0306,-9.84,-1.71,-7.433376971154244
COc1ccc([C@@H]([NH2+]Cc2ccc3ncccc3c2)C(C)C)cc1,C66236509_decoy,GLCM,Decoy,0,-5.9307,-6.56,-2.09,-5.056854286523186
C[C@@H]([NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccc(Cl)cc1,C67116784_decoy,GLCM,Decoy,0,-6.63655,-8.03,-2.18,-5.32546053731447
COC[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@]1(C)O[C@@H](SCCO)[C@@H](O)[C@@H](O)[C@@H]1O,C04411026_decoy,GLCM,Decoy,0,-6.09978,-5.69,-3.52,-4.2668362768680375
C[NH+]1[C@@H](NC(=O)C(C)(C)O)C(C)(C)C(C)(C)[C@H]1NC(=O)C(C)(C)O,C01733220_decoy,GLCM,Decoy,0,-7.27157,-5.77,-1.54,-5.120585947343289
Cc1cc(S(=O)(=O)Nc2cc(=[NH2+])[nH][nH]2)c(SCc2nc(N)nc(N(C)C)n2)cc1Cl,C08651883_decoy,GLCM,Decoy,0,-11.8501,-8.71,-3.27,-10.357046978010825
CCCCN1C(=O)[C@H]2[C@H](CCC(N)=O)[NH2+][C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O,C09042973_decoy,GLCM,Decoy,0,-8.51483,-7.74,-0.94,-9.111749153221067
NC(=O)c1c(NC(=O)C[NH+]2Cc3ccccc3C[C@@H]2C(N)=O)sc2c1CCC2,C09217820_decoy,GLCM,Decoy,0,-8.26165,-8.66,-2.32,-6.303584100853695
C[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)c1snc(C(N)=O)c1N)N1CC[NH+](C)CC1,C12715933_decoy,GLCM,Decoy,0,-8.8029,-7.3,-2.29,-9.815125494977275
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[NH+]12)NCc1ccc(F)cc1,C15707680_decoy,GLCM,Decoy,0,-9.12651,-7.69,-3.63,-7.822095112830541
CC[C@]12CN3C[C@](CC)(C[NH+](C1)[C@H]3[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O,C19323239_decoy,GLCM,Decoy,0,-9.11321,-7.95,-2.68,-12.420986340168367
CC[C@]12CN3C[C@](CC)(C[NH+](C1)[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O,C19323243_decoy,GLCM,Decoy,0,-8.66918,-6.99,-4.39,-10.32773621008606
COc1ccc(-c2noc(CN3CC[NH+](Cc4nc(N)nc(N)n4)CC3)n2)cc1,C22827402_decoy,GLCM,Decoy,0,-8.16971,-6.84,-1.15,-6.464358645590946
Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCC[NH+]1CC(=O)Nc1sccc1C(N)=O,C24214944_decoy,GLCM,Decoy,0,-8.97523,-8.6,-3.88,-9.372859367380851
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C[NH3+],C27869761_decoy,GLCM,Decoy,0,-7.74903,-6.54,-1.78,-5.655304920371743
CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)[C@H]1CCCC[C@@H]1C,C31468877_decoy,GLCM,Decoy,0,-7.40829,-7.81,-4.22,-9.570038222428796
Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)cs1,C32617194_decoy,GLCM,Decoy,0,-8.27429,-5.76,-2.98,-5.029580738602241
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1coc([C@@H](C)[NH3+])n1,C33712694_decoy,GLCM,Decoy,0,-8.78363,-6.19,-1.67,-8.631762829165211
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1N2C[C@@]3(c4ccccc4)C[NH+]1C[C@@](c1ccccc1)(C2)C3O,C36369755_decoy,GLCM,Decoy,0,-9.03198,-6.72,-2.88,-6.56790017818783
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)[C@@H](C)[NH3+])CC1)C(=O)NCC(N)=O,C38549464_decoy,GLCM,Decoy,0,-8.03566,-7.14,-3.31,-7.296037722189568
CC(C)NC(=O)C[NH+](C)[C@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2,C15028717_decoy,GLCM,Decoy,0,-8.34201,-5.68,-0.98,-6.507122329686045
COC[C@H](C)NC(=O)c1oc2c(c1C)/C(=N/NC(N)=[NH2+])CC(C)(C)C2,C39855902_decoy,GLCM,Decoy,0,-9.02289,-6.1,-1.87,-6.957396283280229
C[NH+]1CCC(NS(=O)(=O)c2ccc(Br)s2)(/C(N)=N/O)CC1,C40377069_decoy,GLCM,Decoy,0,-7.65546,-6.92,-0.52,-6.603488692193534
CCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCC[NH3+])c21,C40957571_decoy,GLCM,Decoy,0,-9.4973,-6.3,-1.57,-8.055731894440056
CC[NH+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cnc1NN,C41069989_decoy,GLCM,Decoy,0,-8.59319,-7.38,-1.65,-7.923414368282607
O=C(NCC1([NH+]2CCCCC2)CCCCC1)NNC(=O)C(=O)NC1CC1,C43112211_decoy,GLCM,Decoy,0,-8.21723,-8.07,-1.74,-8.016284610535196
C[NH+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Br)cnc1NN,C44565273_decoy,GLCM,Decoy,0,-8.29188,-7.05,-1.48,-5.9519704146729975
CCCn1c(N)c(C(=O)C[NH+]2CCC(C(N)=O)CC2)c(=O)n(C)c1=O,C45311365_decoy,GLCM,Decoy,0,-6.47109,-7.08,-1.44,-6.980132677113996
CC(C)CNC(=O)NC(=O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1,C32542363_decoy,GLCM,Decoy,0,-7.74512,-6.27,-1.81,-6.692145165547467
CC(C)[C@H](CNC(=O)NNC(=O)C(=O)NC1CC1)[NH+]1CCCCCC1,C45534555_decoy,GLCM,Decoy,0,-7.80283,-5.89,-4.63,-6.200700119775546
CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,C46662753_decoy,GLCM,Decoy,0,-7.71728,-7.4,-2.9,-6.574752137553332
C[C@H]1CCCC[NH+]1[C@@H](C)CNC(=O)C(=O)Nc1sccc1C(N)=O,C47998956_decoy,GLCM,Decoy,0,-8.65904,-6.91,-2.79,-7.296726675573637
CC(C)[C@@H](CNC(=O)C(=O)Nc1sccc1C(N)=O)[NH+]1CCCC1,C48038255_decoy,GLCM,Decoy,0,-7.59842,-6.75,-2.03,-7.425548437293381
NC(=O)C(NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(N)=O,C48447847_decoy,GLCM,Decoy,0,-8.51173,-7.14,-4.45,-7.174429920814368
CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)cnc1NN,C49227090_decoy,GLCM,Decoy,0,-7.67235,-6.1,-3.97,-6.071631468539085
COc1ccc(N2C(=O)/C(=C/N[C@@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1,C20329244_decoy,GLCM,Decoy,0,-8.52511,-6.96,-4.42,-6.622372950995799
CCCNC(=O)[C@@H]1CCC[NH+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1,C50998815_decoy,GLCM,Decoy,0,-7.10283,-7.91,-2.31,-7.209032536038525
COCCn1c(N)c(C(=O)C[NH+]2CCC[C@H](C(=O)NC3CC3)C2)c(=O)[nH]c1=O,C51045693_decoy,GLCM,Decoy,0,-7.64085,-7.09,-3.93,-7.541429721265217
NC(=O)c1ccsc1NC(=O)C[NH+]1CCC[C@@H](C(=O)NC2CC2)C1,C51047855_decoy,GLCM,Decoy,0,-8.4704,-7.7,-4.18,-10.003910628910004
C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NNC(=O)C(=O)NC2CC2)C1,C54726353_decoy,GLCM,Decoy,0,-7.81797,-7.11,-1.8,-6.915532159786372
CSCC[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(N2CC[NH+](C)CC2)cc1,C55710441_decoy,GLCM,Decoy,0,-7.61626,-7.17,-4.68,-6.4832650700278
COc1ccccc1[C@H](CNC(=O)[C@H](C)NC(N)=O)[NH+]1CCCCC1,C56098206_decoy,GLCM,Decoy,0,-7.68479,-7.3,-4.21,-11.223096596260351
C[C@@H](C(N)=O)[NH+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1,C57921824_decoy,GLCM,Decoy,0,-7.76598,-6.6,-2.75,-8.448350237113175
Nc1nc(N)nc(CSc2nnc(C3=c4ccccc4=[NH+]C3)n2C2CC2)n1,C63194375_decoy,GLCM,Decoy,0,-8.00077,-10.11,-2.02,-10.894892784230366
CC(C)Oc1ccc(C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)NN)cc1,C63437851_decoy,GLCM,Decoy,0,-8.23438,-6.43,-2.07,-5.663865823821751
COc1ccc(NC(=O)[C@H](CC2=c3ccccc3=[NH+]C2)NC(N)=O)cn1,C64003091_decoy,GLCM,Decoy,0,-6.38645,-8.69,-2.06,-6.111207651571582
COc1cc(N2C(=O)[C@@H]([C@H]3NCCC4=c5ccccc5=[NH+][C@@H]43)[C@@H](O)N[C@H]2O)cc(OC)c1OC,C64044449_decoy,GLCM,Decoy,0,-9.73221,-9.59,-1.95,-9.966027793974783
O=C(/C=C1/CS[C@H](NC(=O)c2ccc[nH]c2=O)N1)NCCC1=c2ccccc2=[NH+]C1,C64403641_decoy,GLCM,Decoy,0,-7.1527,-9.26,-1.34,-7.3086538025900705
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NNC(=O)NCCCn1cc[nH+]c1,C64886152_decoy,GLCM,Decoy,0,-7.85811,-7.66,-2.32,-7.813047328391968
Cc1cc(=O)[nH]c(NCCNc2nc(CC[NH3+])nc3sc(C)c(C)c23)n1,C65432379_decoy,GLCM,Decoy,0,-8.28647,-7.24,-1.65,-10.486916661997306
C[C@H]1CCC[NH+]([C@@H](C)CNC(=O)NCCCc2n[nH]c(N)c2C#N)C1,C65584929_decoy,GLCM,Decoy,0,-6.97776,-8.02,-3.43,-6.723940733899532
C[C@H](N[C@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)NC(N)=O,C66390669_decoy,GLCM,Decoy,0,-7.92982,-7.27,-2.1,-7.395178933931931
NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1,C67273149_decoy,GLCM,Decoy,0,-8.9902,-9.35,-1.28,-12.886845057380436
COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1,C00478832_decoy,GLCM,Decoy,0,-6.30856,-7.98,-2.53,-5.022431977108324
CCOC(=O)c1cnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc1N,C04385343_decoy,GLCM,Decoy,0,-8.6067,-7.99,-1.63,-6.242865976361726
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1,C07557088_decoy,GLCM,Decoy,0,-6.89626,-6.61,-1.87,-4.997270420654407
CCCOc1ccc(/C=N/NC(=O)c2sc(N)nc2C)cc1OC,C13042863_decoy,GLCM,Decoy,0,-7.98372,-6.61,-2.21,-7.311309013573068
CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccccc1C,C14141117_decoy,GLCM,Decoy,0,-6.99426,-8.4,-3.58,-6.106785658384766
Cc1ccccc1CC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1O,C14562657_decoy,GLCM,Decoy,0,-6.87945,-8.26,-1.25,-5.894719011637405
CCCc1c(/C=N/NC(N)=S)c(OC)c2c(c1OC)OCO2,C15084751_decoy,GLCM,Decoy,0,-6.11702,-5.69,-2.26,-4.988175263012847
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=S)NC1CCCC1,C15530446_decoy,GLCM,Decoy,0,-5.64365,-5.73,-2.68,-5.11054108471523
CCCNC(=O)NNC(=O)COc1ccc2cc(OC)ccc2c1,C17068010_decoy,GLCM,Decoy,0,-6.31795,-7.94,-2.61,-5.729588851169776
CCCCNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1,C25618122_decoy,GLCM,Decoy,0,-7.36942,-6.86,-2.09,-6.423413346406453
C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccc(CC)cc2)n[nH]1,C26089748_decoy,GLCM,Decoy,0,-5.75397,-7.33,-3.49,-5.140820903039007
COc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(C)=O)cc2)c(OC)c1,C29223059_decoy,GLCM,Decoy,0,-6.25293,-6.64,-3.52,-6.737940463772045
COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(O)c(O)c3)n2)cc1,C06141647_decoy,GLCM,Decoy,0,-8.75454,-8.69,-3.83,-9.623480923698104
COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)cc2)cc1,C00715189_decoy,GLCM,Decoy,0,-7.02912,-6.2,-2.05,-7.151364212950215
CCCCn1c(N)c(N(CC)C(=O)c2cc(C)cc(C)c2)c(=O)[nH]c1=O,C07654348_decoy,GLCM,Decoy,0,-6.68652,-6.81,-1.47,-5.472089484710248
C=CCSC1=NN[C@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1cccc(C)c1,C39361674_decoy,GLCM,Decoy,0,-6.77542,-8.71,-2.9,-9.42265610610481
CCCc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)C(C(=O)OC)=C(N)O2,C40568782_decoy,GLCM,Decoy,0,-7.28709,-5.76,-0.66,-4.775598170834375
CCCSc1nc2n(n1)[C@H](c1ccccc1OC)C(C(N)=O)=C(C)N2,C40982177_decoy,GLCM,Decoy,0,-7.40675,-6.89,-4.23,-5.400451764443094
CNC(=O)Nc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1,C45799762_decoy,GLCM,Decoy,0,-6.33557,-6.7,-4.21,-5.61479440219668
COc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1,C46704493_decoy,GLCM,Decoy,0,-5.72459,-6.33,-2.07,-5.412565301288559
CC(C)CNC(=O)NC(=O)[C@H](C)Nc1cccc(Cn2cccn2)c1,C27013849_decoy,GLCM,Decoy,0,-5.91213,-6.78,-4.38,-4.46992525121291
CCOC(=O)N[C@H](CNC(=O)N1CCC[C@H](O)C1)CC(C)C,C47056487_decoy,GLCM,Decoy,0,-6.76691,-6.62,-1.03,-6.964371633040879
COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1,C47535010_decoy,GLCM,Decoy,0,-6.51945,-8.03,-3.54,-6.928143859551913
COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccccc2OC)c1,C47711013_decoy,GLCM,Decoy,0,-6.34333,-8.45,-1.5,-7.399085123291344
CC(C)C(=O)Nc1cccc(NC(=O)NC[C@H](C)Cn2cccn2)c1,C52461976_decoy,GLCM,Decoy,0,-6.71928,-8.1,-2.98,-6.6490001140883495
C[C@@H](CNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)Cn1cccn1,C52462913_decoy,GLCM,Decoy,0,-7.34829,-7.84,-1.92,-10.656738292880918
COc1ccc(NC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1,C53963625_decoy,GLCM,Decoy,0,-7.2078,-6.09,-2.24,-6.0849394581126806
C[C@H](NC(=O)NNC(=O)COc1ccccc1C#N)c1ccccc1Cl,C54064504_decoy,GLCM,Decoy,0,-6.88816,-8.54,-2.09,-7.79616829761462
COc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CCNC3=O)c2)cc1,C56157705_decoy,GLCM,Decoy,0,-6.07641,-8.68,-2.69,-6.494309387324908
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2cccc(OCC#N)c2)c1,C56175721_decoy,GLCM,Decoy,0,-6.52833,-7.18,-3.65,-6.280813663933408
Nc1nc(COC(=O)c2c(F)cccc2F)nc(Nc2ccccc2)n1,C08753086_decoy,GLCM,Decoy,0,-8.03561,-7.72,-2.64,-6.228518548727793
C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)NCc1ccc(Cl)cc1,C16790924_decoy,GLCM,Decoy,0,-7.50473,-7.6,-2.22,-8.972373362738777
Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](CC(C)C)c1cccs1,C58225387_decoy,GLCM,Decoy,0,-7.86051,-5.88,-2.3,-5.173234206193371
COc1ccc(O)c(/C=N/Nc2nnc(SCC(C)C)[nH]2)c1,C05908112_decoy,GLCM,Decoy,0,-7.48151,-6.13,-1.94,-7.8818800069196735
Nc1nnnn1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1,C59055557_decoy,GLCM,Decoy,0,-7.70254,-5.61,-3.43,-4.687431185547268
COc1ccc(CCC(=O)N/N=C/c2ccc(NC(C)=O)cc2)c(O)c1,C59160750_decoy,GLCM,Decoy,0,-6.45142,-7.28,-4.37,-6.017157313972932
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NNC(=O)NC(C)C,C63270141_decoy,GLCM,Decoy,0,-7.47775,-6.87,-3.97,-6.2104490443030045
Cc1ccc(C(N)=O)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1,C63948415_decoy,GLCM,Decoy,0,-6.88913,-7.9,-6.04,-6.885355991493131
CCCCNC(=O)NNC(=O)c1cnn(-c2ccc(F)cc2)c1CC,C64883459_decoy,GLCM,Decoy,0,-5.88942,-8.05,-1.03,-5.449192788419765
COc1cc(C)c(S(=O)(=O)NNC(=O)NCCC(C)C)cc1C,C64938969_decoy,GLCM,Decoy,0,-6.70199,-7.43,-2.04,-6.527258677378328
Cc1ccc(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)c1,C65280862_decoy,GLCM,Decoy,0,-7.5768,-6.81,-2.0,-5.412862474223427
C=CCc1cc(C(=O)NNC(=O)NC2CCCC2)cc(OC)c1OC,C65920284_decoy,GLCM,Decoy,0,-7.58779,-6.06,-2.6,-6.079164854999048
CCCCNC(=O)NC1(C(=O)Nc2ccc(=O)n(CC)c2)CCCCC1,C57434287_decoy,GLCM,Decoy,0,-7.23469,-8.19,-2.21,-8.877487955812247
O[C@@H](CNc1ncnc2[nH]cnc12)COc1ccc(C(F)(F)F)cc1,C66387884_decoy,GLCM,Decoy,0,-6.43223,-6.34,-2.57,-7.530156268954208
O=C(NCCCOc1ccccc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66679175_decoy,GLCM,Decoy,0,-6.93277,-8.07,-1.47,-5.88540447789118
COc1ccc([C@H](C)NC(=O)NNC(=O)CC2CCCCC2)cc1OC,C67060643_decoy,GLCM,Decoy,0,-8.11658,-5.53,-2.63,-7.194264281399544
COc1cc(C)c([C@@H](C)NC(=O)NNC(=O)c2sccc2C)cc1OC,C67062948_decoy,GLCM,Decoy,0,-7.70805,-6.49,-2.24,-6.174183568764999
CCn1nc(C)c(CNC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1C,C67381532_decoy,GLCM,Decoy,0,-6.95867,-7.03,-1.32,-6.354019182416505
Cc1c(Cl)cccc1NNC(=O)NCCCc1nnc2n1CCCCC2,C67461765_decoy,GLCM,Decoy,0,-7.26529,-8.42,-1.86,-7.154936364684964
CCCCn1c(N)c(N(C)C(=O)c2ccc(CCC)cc2)c(=O)[nH]c1=O,C67476568_decoy,GLCM,Decoy,0,-6.96621,-7.33,-2.36,-9.719651543287464
CCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)C(C#N)=C(N)O2,C00987524_decoy,GLCM,Decoy,0,-6.93875,-6.36,-3.52,-5.218123534810335
C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)NC(=O)NC1CCCCC1,C04220966_decoy,GLCM,Decoy,0,-8.47714,-8.94,-3.91,-7.39025786183799
COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)cc1,C00938922_decoy,GLCM,Decoy,0,-7.21275,-7.8,-1.74,-6.378661396204448
CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1,C04550474_decoy,GLCM,Decoy,0,-7.10889,-6.5,-3.67,-7.474384759286655
COc1cc(NC(=O)C(C)C)c(OC)cc1NC(=O)Nc1ccccc1Cl,C01324330_decoy,GLCM,Decoy,0,-6.56254,-5.51,-2.29,-5.259548423204065
COc1ccc(-c2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2N)cc1,C04889998_decoy,GLCM,Decoy,0,-8.02488,-6.53,-2.96,-6.631246563046224
CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2N)c1,C02207291_decoy,GLCM,Decoy,0,-6.22195,-6.87,-3.66,-4.71740797031185
COc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1,C01754019_decoy,GLCM,Decoy,0,-7.26663,-6.66,-2.35,-6.1054330571869695
COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(F)F,C05505015_decoy,GLCM,Decoy,0,-7.11417,-7.73,-1.88,-5.925695647114535
C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2cccc(OC)c2)c(O)c1,C02344367_decoy,GLCM,Decoy,0,-7.56202,-7.0,-4.82,-5.423354726215418
CCc1c(COC(=O)NC)c(COC(=O)NC)cc2c1[nH]c1ccccc12,C01609103_decoy,GLCM,Decoy,0,-6.46319,-5.5,-1.99,-8.234906222131428
CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1Nc1cccc(C)c1C,C05621569_decoy,GLCM,Decoy,0,-6.31817,-5.93,-2.15,-5.255928643098262
Nc1nc(COC(=O)c2ccccc2F)nc(Nc2ccc(F)cc2)n1,C09456094_decoy,GLCM,Decoy,0,-7.81575,-8.94,-4.47,-6.372927064801506
CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)c1,C00946214_decoy,GLCM,Decoy,0,-7.85122,-8.59,-2.72,-7.361156450328776
C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1Cl,C12563034_decoy,GLCM,Decoy,0,-6.02994,-5.9,-4.7,-4.260723612388733
C/C(=N\Nc1nc(SCC(=O)NC2CCCCC2)n[nH]1)c1ccc(F)cc1,C20835456_decoy,GLCM,Decoy,0,-7.88514,-7.72,-2.31,-5.55764335223319
Oc1ccc2ccccc2c1/C=N/Nc1nc(SCc2ccncc2)n[nH]1,C20907029_decoy,GLCM,Decoy,0,-8.89861,-7.93,-1.58,-9.015130755941245
CCc1ccc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1,C21082464_decoy,GLCM,Decoy,0,-6.7247,-5.89,-1.72,-4.591367606383593
C/C(=N\Nc1nc(SCC(=O)Nc2ccccc2F)n[nH]1)c1cccs1,C21082967_decoy,GLCM,Decoy,0,-7.35618,-7.01,-2.66,-6.30531641309005
Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1N,C21450032_decoy,GLCM,Decoy,0,-7.20502,-8.28,-1.68,-5.574605206608813
CCc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])[NH+]2CCC(C(N)=O)CC2)cc1,C22853775_decoy,GLCM,Decoy,0,-8.55895,-7.02,-2.8,-6.844086034159471
COc1ccccc1-c1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1N,C36184098_decoy,GLCM,Decoy,0,-6.73345,-7.65,-2.29,-6.128164227553044
Cc1cccc(N2C(SCc3ccccc3)=NN[C@@H]2Cc2cc(=O)[nH]c(=O)[nH]2)c1,C39361772_decoy,GLCM,Decoy,0,-6.90304,-8.75,-1.36,-5.867228162329279
Cc1cc(C)cc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2N)c1,C40127749_decoy,GLCM,Decoy,0,-7.45531,-7.7,-5.04,-7.825229830284892
COC(=O)c1ccc(Oc2ncnc(NCc3ccc(F)cc3)c2N)cc1,C40700783_decoy,GLCM,Decoy,0,-7.57267,-7.23,-3.61,-6.313406048395619
CC(C)[C@H](Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1,C42096911_decoy,GLCM,Decoy,0,-7.56411,-6.19,-1.74,-5.552734814363159
C=CCNC(=O)Nc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1,C42643496_decoy,GLCM,Decoy,0,-6.67777,-7.41,-2.05,-5.184431171365812
COc1ccc(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(OC)c1,C43330539_decoy,GLCM,Decoy,0,-6.62847,-8.11,-4.71,-7.132224978382051
COc1ccccc1[C@@H](C)NC(=O)NNC(=O)COc1cc(C)ccc1C,C49779069_decoy,GLCM,Decoy,0,-6.62797,-6.78,-4.6,-5.024592470884137
C[C@@H](Cc1cccc(Cl)c1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-],C52280536_decoy,GLCM,Decoy,0,-7.57162,-7.68,-4.27,-5.924861179196433
COC(=O)Nc1ccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1,C56187288_decoy,GLCM,Decoy,0,-7.55118,-6.08,-2.34,-8.092609984024284
CC(C)c1ccc([C@H](C)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1,C38780506_decoy,GLCM,Decoy,0,-7.66009,-6.79,-1.35,-7.123522576250057
CC(C)CNc1nnc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)s1,C07268351_decoy,GLCM,Decoy,0,-8.56613,-8.12,-4.01,-6.785258512331744
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1C,C11509835_decoy,GLCM,Decoy,0,-5.9975,-6.41,-3.91,-5.37058940270745
O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1cccc(Cl)c1Cl,C59040220_decoy,GLCM,Decoy,0,-8.04251,-6.92,-1.89,-5.61206356085522
Cc1cc(C)c2[nH]c(=O)cc(CSc3nnc(COc4ccccc4)n3N)c2c1,C59204940_decoy,GLCM,Decoy,0,-7.78258,-6.69,-3.28,-6.76232233399934
COc1ccc(/C=N/Nc2nnc(SCc3ccc(Cl)cc3)n2N)cc1,C20292926_decoy,GLCM,Decoy,0,-7.71109,-6.65,-3.39,-5.409306916207554
COc1cccc(/C=N/Nc2nnc(SCc3cccc(C)c3)n2N)c1,C20293100_decoy,GLCM,Decoy,0,-7.03787,-5.87,-4.42,-5.815163050755227
COc1ccc(CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)cc1,C59830281_decoy,GLCM,Decoy,0,-7.32467,-7.61,-4.67,-7.920779452970216
COC(=O)c1ccc(NC(=O)NCCNc2cccc(F)c2C#N)c(C)c1,C48114499_decoy,GLCM,Decoy,0,-6.34814,-7.65,-1.57,-6.065135018146411
CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1,C66334746_decoy,GLCM,Decoy,0,-7.68248,-9.39,-3.43,-8.25543876528846
CC[C@H](C)Oc1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)c1,C66334750_decoy,GLCM,Decoy,0,-7.74142,-8.3,-2.1,-6.090657028877485
O=C(NCc1cccc(OC(F)F)c1)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66678878_decoy,GLCM,Decoy,0,-6.77012,-9.13,-2.17,-5.598811246831957
Cc1ccc(C[C@H](C)NC(=O)NNC(=O)COc2ccc(C#N)cc2)c(C)c1,C66716978_decoy,GLCM,Decoy,0,-6.18681,-7.07,-3.3,-4.848943425395918
COc1ccc(NC(=O)NNc2ccc(OCC(F)(F)F)cc2)cn1,C67018237_decoy,GLCM,Decoy,0,-5.25866,-6.21,-2.39,-5.602898462980833
COc1cccc2cc([C@@H](C)NC(=O)NNC(=O)CC3CCCCC3)oc12,C67041917_decoy,GLCM,Decoy,0,-7.90438,-6.55,-4.3,-6.445883505178927
C=C(C)COc1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1,C67320054_decoy,GLCM,Decoy,0,-7.39008,-9.49,-1.45,-9.646466209138518
COC(=O)Nc1cc(NC(=O)N[C@@H](C)c2ccccc2OC)ccc1F,C67322776_decoy,GLCM,Decoy,0,-6.34977,-8.25,-2.04,-6.557910502704084
CC[C@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)c1nc2ccccc2[nH]1,C67391711_decoy,GLCM,Decoy,0,-6.96332,-7.76,-1.46,-7.583213302570449
O=C(CC1CCCCC1)NNC(=O)NCCc1coc(-c2ccc(F)cc2)n1,C67420182_decoy,GLCM,Decoy,0,-7.66131,-8.48,-1.64,-6.403477821248187
CC(C)NC(=O)N[C@H]1C[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)N(C(=O)c2cccn2C)C1,C04200861_decoy,GLCM,Decoy,0,-8.11351,-7.26,-2.43,-7.38954809153208
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1,C06074500_decoy,GLCM,Decoy,0,-7.9474,-6.4,-4.13,-8.095261379783457
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1,C06074907_decoy,GLCM,Decoy,0,-9.43036,-8.01,-2.33,-10.374569658827092
CC(C)(C)NC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1cccnc1)C(=O)c1snc(C(N)=O)c1N,C06075022_decoy,GLCM,Decoy,0,-8.48954,-8.17,-4.25,-6.8082515781183615
CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1,C06134301_decoy,GLCM,Decoy,0,-8.36015,-7.58,-3.72,-6.538426639725435
CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1,C06462140_decoy,GLCM,Decoy,0,-8.10436,-8.03,-2.43,-6.580293799505368
COCCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2,C06904957_decoy,GLCM,Decoy,0,-7.83878,-6.02,-2.59,-7.582833572383195
COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1,C07058870_decoy,GLCM,Decoy,0,-9.05588,-7.63,-3.3,-8.814730595216199
COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1,C07059547_decoy,GLCM,Decoy,0,-7.93024,-6.46,-3.24,-5.676256723538453
Nc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c(=O)c1NC(=O)c1ccco1,C02712530_decoy,GLCM,Decoy,0,-6.02773,-7.57,-5.02,-5.327446392713164
CCCCn1c(N)c(N(CCC)CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c(=O)[nH]c1=O,C11350883_decoy,GLCM,Decoy,0,-7.45766,-8.63,-1.33,-7.767139684467992
COCCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1C,C12467272_decoy,GLCM,Decoy,0,-8.22179,-6.21,-2.94,-8.807347658475333
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NCc2ccc(F)cc2)c1,C12472646_decoy,GLCM,Decoy,0,-8.9649,-7.32,-1.2,-9.814454886884
COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C)C(=O)NCc2ccc(F)cc2)cc1,C12472653_decoy,GLCM,Decoy,0,-8.2557,-7.12,-1.48,-7.780657910977498
Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1,C12473031_decoy,GLCM,Decoy,0,-9.40908,-7.61,-3.07,-9.602609158526167
COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1,C12474231_decoy,GLCM,Decoy,0,-9.32129,-7.15,-3.59,-9.22137179084798
Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)c(Cl)c2)o1,C12480063_decoy,GLCM,Decoy,0,-8.37521,-6.87,-3.72,-8.32781587668993
NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1N,C12715830_decoy,GLCM,Decoy,0,-8.97067,-7.67,-4.39,-6.592722157886292
NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c1N,C12716016_decoy,GLCM,Decoy,0,-8.90884,-7.85,-1.62,-6.486415126534117
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC,C12716809_decoy,GLCM,Decoy,0,-8.74956,-7.85,-3.34,-8.766455262023412
NC(=O)N[C@H](CC(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1,C13027230_decoy,GLCM,Decoy,0,-8.95366,-9.04,-3.28,-8.771425203394873
NNC(=S)N/N=C(\C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-],C16958158_decoy,GLCM,Decoy,0,-8.11339,-7.7,-2.77,-7.92934642866667
NC(=O)COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1,C19808504_decoy,GLCM,Decoy,0,-7.54285,-6.27,-2.16,-6.680318345908417
COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2N)c1,C20527504_decoy,GLCM,Decoy,0,-8.0779,-7.69,-3.98,-6.444870507846872
C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)c1O,C20527511_decoy,GLCM,Decoy,0,-7.55753,-7.18,-3.81,-9.113492721891884
Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1,C20527877_decoy,GLCM,Decoy,0,-6.1597,-9.09,-4.19,-5.468067533349327
Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)Nc1cccc(Br)c1,C20915234_decoy,GLCM,Decoy,0,-8.31677,-8.1,-3.16,-6.501584678347811
Nn1c(N/N=C/c2cc(Br)ccc2O)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1,C21319416_decoy,GLCM,Decoy,0,-7.90608,-7.34,-2.95,-6.418169493991233
CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc(Cl)c3)n2N)c1,C21321537_decoy,GLCM,Decoy,0,-8.0335,-8.37,-3.36,-6.7390303078739615
CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)ccc1O,C21326639_decoy,GLCM,Decoy,0,-7.79481,-7.03,-4.39,-7.031427260620958
CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2N)ccc1O,C21326655_decoy,GLCM,Decoy,0,-10.075,-7.46,-3.69,-6.809866317015834
CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)Nc1ccc([N+](=O)[O-])cc1,C25668401_decoy,GLCM,Decoy,0,-6.51239,-8.42,-3.72,-6.810237740745633
CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1,C27184596_decoy,GLCM,Decoy,0,-7.87938,-8.24,-2.98,-8.852299918236364
CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3cccnc3)cc2)cc1,C28571986_decoy,GLCM,Decoy,0,-6.91738,-7.2,-1.94,-8.729875173196637
CC(C)=C[C@H]1OC(=O)/C(=C\CO[C@@H]2O[C@@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O,C31156602_decoy,GLCM,Decoy,0,-9.23019,-7.69,-3.98,-6.129916295723524
COc1ccccc1[C@H]1[NH2+][C@](CCCNC(N)=O)(C(=O)[O-])[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12,C33638388_decoy,GLCM,Decoy,0,-8.08945,-8.63,-4.44,-8.340002513400139
COc1cccc([C@H]2[NH2+][C@@](CCCNC(N)=O)(C(=O)[O-])[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)c1O,C35352856_decoy,GLCM,Decoy,0,-7.69585,-8.07,-1.45,-8.028284574544339
CC(C)CN(C(=O)CSc1nc(-c2ccccc2)cn1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C12525272_decoy,GLCM,Decoy,0,-9.54283,-8.38,-3.04,-8.24698774258793
CC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N,C06551124_decoy,GLCM,Decoy,0,-7.12033,-7.25,-1.9,-9.074759371710174
O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)[C@H]1O,C35455341_decoy,GLCM,Decoy,0,-9.89417,-8.61,-3.06,-8.320797757152791
NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)c1N,C12473370_decoy,GLCM,Decoy,0,-8.47035,-7.16,-3.54,-8.539415498796103
COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C)C(=O)NCc2ccc(F)cc2)cc1,C12472601_decoy,GLCM,Decoy,0,-8.53238,-6.0,-2.41,-8.240224567564967
COc1ccc(NC(=O)CS[C@H]2NN[C@@H]([C@H]3C=C(c4ccc(OC)cc4)N=N3)N2N)cc1,C38748403_decoy,GLCM,Decoy,0,-7.78198,-6.23,-2.02,-6.051599962049672
COc1ccc(C2=C[C@@H]([C@H]3NN[C@H](SCC(=O)Nc4cccc(C(F)(F)F)c4)N3N)N=N2)cc1,C38752159_decoy,GLCM,Decoy,0,-7.4308,-9.22,-3.01,-6.286781086270338
CCc1cccc(C)c1NC(=O)CS[C@@H]1NN[C@H]([C@@H]2C=C(c3ccc(OC)cc3)N=N2)N1N,C38985638_decoy,GLCM,Decoy,0,-6.67253,-7.52,-3.92,-6.107204746343182
COc1ccc(Br)cc1[C@@H]1[NH2+][C@@](CCCNC(N)=O)(C(=O)[O-])[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21,C33880697_decoy,GLCM,Decoy,0,-9.1859,-6.67,-3.54,-7.640118838432781
CN(C)c1ccc([C@@H]2[NH2+][C@](CCCNC(N)=O)(C(=O)[O-])[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)cc1,C33897170_decoy,GLCM,Decoy,0,-8.0444,-8.3,-2.51,-8.062592402660787
COC(=O)[C@H](NC(=O)[C@]1(O)C[C@@H](O)[C@H](O)[C@@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1)C(C)C,C43537173_decoy,GLCM,Decoy,0,-10.1708,-8.68,-3.91,-7.500142869383351
NC(=O)NCCC[C@]1(C(=O)[O-])[NH2+][C@@H](/C=C/c2ccccc2)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21,C33516252_decoy,GLCM,Decoy,0,-8.34034,-7.16,-4.01,-6.661899518311169
CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1,C59879549_decoy,GLCM,Decoy,0,-8.27567,-8.67,-3.94,-6.990584555234177
NC(=[NH2+])N1CCc2ccc(OCC3(C(=O)[O-])CCN(c4cc[nH+]cc4)CC3)cc2C1,C03981896_decoy,GLCM,Decoy,0,-10.2219,-8.75,-1.52,-7.934375350284045
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+](C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H]3C[C@@H]12,C04024381_decoy,GLCM,Decoy,0,-9.81321,-9.06,-2.69,-12.79197811894902
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[NH3+],C04083929_decoy,GLCM,Decoy,0,-10.3387,-8.8,-1.09,-12.713526028593416
COc1cc([C@H]2[NH+]=C(N)Nc3nc4ccccc4n32)ccc1OCC(N)=O,C04622615_decoy,GLCM,Decoy,0,-9.51207,-6.4,-2.41,-6.829563746750711
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OCC[NH3+],C05573006_decoy,GLCM,Decoy,0,-9.69209,-8.7,-1.08,-7.158053267614495
Nc1c(C(=[NH2+])N/N=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2[n+]1[O-],C05605044_decoy,GLCM,Decoy,0,-7.92458,-7.62,-1.06,-5.481413155296146
C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)NCC[NH2+]CCO)c(O)n1c23,C06008083_decoy,GLCM,Decoy,0,-7.4565,-7.33,-1.64,-8.573850718932231
C=C([NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)OC)C1C(=O)NC(=O)NC1=O,C06088470_decoy,GLCM,Decoy,0,-8.20558,-7.09,-1.44,-5.994760276125098
COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@]1([NH2+][C@@H]2CCC(N)=O)C(=O)Nc2ccc(Cl)cc21,C09253945_decoy,GLCM,Decoy,0,-8.88472,-5.31,-4.37,-6.253037636018615
Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C(CO)(CO)CO)C(=O)CCC1,C06393538_decoy,GLCM,Decoy,0,-8.84969,-7.99,-1.56,-11.31498936054154
OC[C@@H](O)[C@H](O)[C@@H](O)[C@H]1N2C[C@@]3(c4ccccc4)C[NH+]1C[C@@](c1ccccc1)(C2)C3O,C19331503_decoy,GLCM,Decoy,0,-9.11933,-9.54,-1.89,-7.56555565375767
COc1ccc(/C=N/[NH+]=C(\N)c2nonc2N)cc1CSc1nnc(C)s1,C17082862_decoy,GLCM,Decoy,0,-10.8844,-7.1,-2.62,-9.129589565996136
COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C(N)=O)CC3)C2=O)cc1,C22057890_decoy,GLCM,Decoy,0,-8.58993,-6.83,-4.44,-7.153266988262709
CCOC(=O)C1=C(C[NH+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)NC(=O)NC1,C25795738_decoy,GLCM,Decoy,0,-6.94446,-7.93,-2.67,-7.70601925682886
N/C(=N\O)c1ccc2nc(-c3ccc(-c4ccc(C(=[NH2+])NO)cc4)o3)cn2c1,C27193399_decoy,GLCM,Decoy,0,-8.65851,-6.48,-3.32,-6.722235343369903
CC(=O)NCn1cc(-c2ccc(C3=CCN(C(N)=[NH2+])CC3)cc2)c(=O)o1,C28468257_decoy,GLCM,Decoy,0,-8.01182,-7.05,-2.71,-10.731659963418982
NC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1,C32802703_decoy,GLCM,Decoy,0,-7.77424,-6.84,-2.41,-6.002460242326339
NC(=O)Cn1c(N2CC[NH+](CC(N)=O)CC2)nc2sc3c(c2c1=O)CCCC3,C34747413_decoy,GLCM,Decoy,0,-8.18316,-7.0,-3.08,-7.024722626337689
Cc1sc2nc(N3CC[NH+](CC(N)=O)CC3)n(CC(N)=O)c(=O)c2c1C,C34748612_decoy,GLCM,Decoy,0,-7.4703,-7.76,-3.56,-11.035762998407607
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSC(N)=[NH2+],C05251989_decoy,GLCM,Decoy,0,-7.8756,-7.36,-1.46,-7.238322642071983
CCOc1cc(C[NH3+])cc(Br)c1O[C@H](C)C(=O)NC(N)=O,C36824659_decoy,GLCM,Decoy,0,-6.91541,-5.51,-4.05,-4.367147130072541
COc1cc([C@H]([NH2+]C[C@H]2CCCO2)C(N)=O)cc(Br)c1O,C37943044_decoy,GLCM,Decoy,0,-8.80461,-7.01,-1.81,-10.094603729175418
CC(C)NC(=O)N1CC[NH2+]C[C@@H]1C(=O)N[C@H](CC1=C2CC=CC=C2N=C1)C(N)=O,C39564195_decoy,GLCM,Decoy,0,-7.93356,-7.8,-1.12,-6.141981736367409
CSCC[C@H]([NH3+])C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br,C40463628_decoy,GLCM,Decoy,0,-10.1013,-5.07,-1.33,-6.246654366229054
CCn1c(-c2nonc2N)nc2c(C#CCO)ncc(OCCC[NH3+])c21,C40955526_decoy,GLCM,Decoy,0,-9.23026,-5.73,-1.67,-6.826232958479434
COC[C@H](O)C[NH+](C)CC(=O)Nc1ccc(N)cc1Br,C42483280_decoy,GLCM,Decoy,0,-7.47296,-6.35,-1.57,-7.047197971073939
[NH3+]CCCC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21,C43209337_decoy,GLCM,Decoy,0,-9.13771,-6.67,-2.73,-7.5374699008281665
CC(C)C[C@H]([NH3+])c1nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)cs1,C43209414_decoy,GLCM,Decoy,0,-10.6391,-8.3,-1.92,-9.160341221762264
C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(Br)cnc1NN,C43412228_decoy,GLCM,Decoy,0,-8.19797,-5.46,-0.89,-6.431913388570441
NNc1ncc(Br)cc1S(=O)(=O)N[C@H]1CC[NH+](C2CC2)C1,C44680600_decoy,GLCM,Decoy,0,-7.12626,-5.79,-0.74,-6.821583601096044
O=C(C[NH+](CC(=O)NC(=O)NC1CC1)C1CCCC1)NC(=O)NC1CC1,C47550299_decoy,GLCM,Decoy,0,-7.06545,-7.71,-0.82,-9.12705761330697
Cc1c(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cccc1C(N)=O,C48768040_decoy,GLCM,Decoy,0,-7.62662,-7.38,-3.99,-7.211538143628055
C[NH+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cnc2NN)C1,C49087016_decoy,GLCM,Decoy,0,-7.72207,-5.52,-1.05,-5.40762778278784
COc1ccccc1N1C(=O)/C(=C/N[C@H]2CCCC[C@H]2[NH3+])C(=O)NC1=S,C20265801_decoy,GLCM,Decoy,0,-8.02488,-7.46,-0.97,-9.374336050354447
COc1ccc(N2C(=O)/C(=C/N[C@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1,C20329250_decoy,GLCM,Decoy,0,-8.51123,-6.8,-2.37,-6.341194705624683
CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC[C@@H](C(=O)NC3CC3)C2)c(=O)[nH]c1=O,C51045901_decoy,GLCM,Decoy,0,-7.76074,-6.99,-2.63,-6.82857121906908
NS(=O)(=O)c1ccc(N/N=C2\C(=[NH2+])Nn3c2nc(-c2ccccc2)cc3=O)cc1,C15961957_decoy,GLCM,Decoy,0,-8.37929,-6.5,-2.49,-5.8821961596768855
CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC(N)=O)CC(N)=O,C61805304_decoy,GLCM,Decoy,0,-7.14245,-6.07,-2.53,-5.309730804271227
CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CC(N)=O)CC(N)=O,C61805317_decoy,GLCM,Decoy,0,-6.08426,-6.69,-3.17,-7.183614559320499
NC(=O)[C@H]1Oc2ccccc2[C@H]1NC(=O)C(=O)NCCC1=c2ccccc2=[NH+]C1,C63710340_decoy,GLCM,Decoy,0,-5.87021,-8.92,-2.73,-8.06228237878955
CC1=C(NC(=O)C(=O)NCCNC(=O)[C@@H]2C=c3ccccc3=[NH+]2)[C@H](C)N(C)N1,C63808270_decoy,GLCM,Decoy,0,-7.79143,-8.74,-2.27,-7.038432618261673
Cc1cccc(N2N[NH2+]N[C@H]2SCC(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1,C64684473_decoy,GLCM,Decoy,0,-6.76573,-7.96,-2.71,-6.910174280024108
O=C(CNC(=O)NC1CCCCC1)NNC(=O)NCCCn1cc[nH+]c1,C64885829_decoy,GLCM,Decoy,0,-7.49171,-7.77,-2.52,-6.974446655178873
CC[C@H]1C[C@H](C(=O)N[C@@H]([C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)[NH+](C)C1,C33902778_decoy,GLCM,Decoy,0,-8.84971,-6.64,-1.59,-6.215966645248163
COc1cccc(C[NH+]2CCNC(=O)[C@@H]2CC(=O)NN)c1OC(C)C,C66115435_decoy,GLCM,Decoy,0,-7.92392,-6.58,-1.04,-7.782178969332037
CCNc1cc(N)[n+](CC)c2[nH]nc(/N=C/c3cc(Cl)cc(Cl)c3O)c12,C18190197_decoy,GLCM,Decoy,0,-8.42395,-5.79,-4.19,-6.801793295467928
C[C@H](N[C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)NC(N)=O,C66390668_decoy,GLCM,Decoy,0,-7.75432,-8.13,-1.2,-6.906070451268783
COc1cc(OC)c2cc(C(=O)N[C@H]3CCC[NH+](CC(N)=O)C3)[nH]c2c1OC,C66448420_decoy,GLCM,Decoy,0,-9.36679,-8.7,-2.31,-14.082834732976906
CCN1CCN(C(=O)CC2CC[NH+](Cc3nc(N)nc(N)n3)CC2)CC1,C66568418_decoy,GLCM,Decoy,0,-7.7647,-7.9,-2.38,-7.734256400857487
C[NH+](C)CCNC(=O)c1cccc(CNc2ncc(C(N)=O)cc2Cl)c1,C66816373_decoy,GLCM,Decoy,0,-8.02538,-7.87,-1.36,-6.872002912448778
CN(C)C(=O)COC(=O)c1cc(Br)ccc1N,C04246214_decoy,GLCM,Decoy,0,-5.74076,-4.83,-0.58,-4.323585187408562
C=CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1,C05194583_decoy,GLCM,Decoy,0,-6.39742,-7.05,-1.52,-7.727921822854664
NC(=O)C1(C(=O)N2CCO[C@@H](CC3CCCCC3)C2)CC1,C12597087_decoy,GLCM,Decoy,0,-6.68456,-5.34,-3.87,-3.9379431319842095
CC(C)NC(=O)C(=O)N/N=C\c1c(F)cccc1Cl,C13381938_decoy,GLCM,Decoy,0,-6.18911,-6.93,-1.39,-4.862173376346125
CN(c1ccccc1)[C@@H](C(=O)N1CCNCC1)c1ccc[nH]1,C32066413_decoy,GLCM,Decoy,0,-6.75734,-6.87,-2.73,-5.178098299506993
C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccccn1,C35122786_decoy,GLCM,Decoy,0,-5.938,-7.35,-1.97,-4.688594928211837
C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccncc1,C35125041_decoy,GLCM,Decoy,0,-6.26517,-7.85,-1.4,-6.44946858944895
Nc1ccccc1OCCn1cnc2sccc2c1=O,C36985814_decoy,GLCM,Decoy,0,-7.17608,-6.87,-1.19,-5.413927761917753
O=C([O-])[C@@H]([NH2+]C1CC1)c1cc(Cl)c2c(c1)OCCCO2,C37183565_decoy,GLCM,Decoy,0,-6.48313,-7.94,-0.54,-7.450887146166414
Nc1ccc(SCc2nnc(-c3cccs3)o2)cn1,C37192420_decoy,GLCM,Decoy,0,-9.73036,-4.96,-2.48,-6.530505596436544
Nc1ccccc1OCCn1cnc2ccsc2c1=O,C36671657_decoy,GLCM,Decoy,0,-6.96864,-7.66,-1.4,-6.544721303670583
Cc1nc(C)c([C@@H](C)Nc2ccc(CC#N)cc2)c(=O)[nH]1,C37643161_decoy,GLCM,Decoy,0,-6.50059,-8.05,-2.11,-4.892129306246456
COC(=O)c1cc(N)ccc1Sc1nnc(C)s1,C41080692_decoy,GLCM,Decoy,0,-7.06852,-6.36,-1.34,-5.318767807695985
C[C@@H](OC(=O)c1ccc(F)c(N)c1)C(=O)N1CCCC1,C41097584_decoy,GLCM,Decoy,0,-6.27884,-7.28,-1.52,-6.63062237012566
O=C(C[NH+]1CCC[C@H](C(=O)[O-])C1)c1ccc2c(c1)CCN2,C41619641_decoy,GLCM,Decoy,0,-6.58242,-7.64,-0.57,-5.0385398632003415
Cc1cc2c(n1CCCS(N)(=O)=O)CC(C)(C)CC2=O,C41707369_decoy,GLCM,Decoy,0,-8.26735,-7.64,-1.91,-6.255552081001035
[O-]c1nc(C[NH2+]C[C@@H]2CCCCO2)nc2ccsc12,C42820901_decoy,GLCM,Decoy,0,-7.71932,-7.2,-1.0,-7.467834469409748
CC(C)n1cc(N)cc1C(=O)N(C)Cc1cscn1,C42828985_decoy,GLCM,Decoy,0,-7.66124,-5.46,-1.35,-5.031365360573473
COC(=O)C(C)(C)NC(=O)[C@H]1NCCc2ccccc21,C43595339_decoy,GLCM,Decoy,0,-6.1926,-7.2,-1.11,-4.987195684433884
C[NH+]1CCC(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1,C44517927_decoy,GLCM,Decoy,0,-6.87164,-7.16,-0.84,-11.08858636735884
O=C(Cn1ccccc1=O)NNc1cccc(Cl)c1,C44999991_decoy,GLCM,Decoy,0,-6.67827,-6.22,-1.02,-4.567489042698246
Cc1ccc(CNC(=O)N[C@@H](C)c2cnn(C)c2C)s1,C45677714_decoy,GLCM,Decoy,0,-7.43901,-5.97,-1.54,-7.698567750110494
O=C1NCCCC[C@H]1NS(=O)(=O)Cc1ccc(F)cc1,C45741294_decoy,GLCM,Decoy,0,-6.8885,-6.92,-0.91,-9.052760883769068
C[C@@H](NC(=O)C(=O)Nc1nccs1)c1ccc(F)cc1,C47963642_decoy,GLCM,Decoy,0,-7.1728,-6.73,-2.3,-5.19776726437116
Cn1ccnc1[C@H](NC(=O)c1ccc[nH]1)c1cccc(F)c1,C48237200_decoy,GLCM,Decoy,0,-6.03571,-5.79,-1.27,-3.977276517364158
C[C@H](NC(=O)C(=O)Nc1ccccc1F)c1ccco1,C48498386_decoy,GLCM,Decoy,0,-4.96655,-7.46,-1.83,-4.872783885881512
C[C@H](SCc1cc(=O)n2cc(Cl)ccc2n1)C(N)=O,C48674981_decoy,GLCM,Decoy,0,-7.68281,-7.39,-1.66,-7.659282520090526
Cc1cc(N)ccc1S(=O)(=O)N(C)Cc1ccoc1C,C48912305_decoy,GLCM,Decoy,0,-6.18147,-6.61,-1.35,-4.880565811123922
C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)NC1CCCC1,C49428689_decoy,GLCM,Decoy,0,-7.10871,-5.61,-1.19,-5.420169163000849
NC(=O)c1ccc(C(=O)Oc2ccc(F)cc2Cl)cn1,C49460978_decoy,GLCM,Decoy,0,-7.0624,-7.91,-2.24,-5.59454568126889
O=C(N[C@@H]1CCCNC1=O)c1cccc(OC(F)F)c1,C49498456_decoy,GLCM,Decoy,0,-5.45673,-6.41,-0.17,-4.36986239795417
CN(Cc1ccc(Cl)s1)C(=O)Cn1ccc(N)n1,C50467759_decoy,GLCM,Decoy,0,-6.08964,-6.3,-1.98,-4.743726745113083
CNc1[nH+]cccc1S(=O)(=O)[N-]c1cc(F)ccc1F,C50633595_decoy,GLCM,Decoy,0,-7.77947,-5.13,-1.24,-4.380729625193956
COc1ccccc1C(C)(C)C(=O)N[C@H]1CCCNC1=O,C50634100_decoy,GLCM,Decoy,0,-5.33966,-5.88,-0.62,-3.951377344158464
CNc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccccn2)n1,C50750882_decoy,GLCM,Decoy,0,-6.04844,-6.6,-2.21,-7.153795299605596
CNc1ncc(C(=O)N[C@@H]2CCC[C@@H]2OC)cc1Cl,C50771687_decoy,GLCM,Decoy,0,-6.6672,-7.38,-1.1,-5.087342597175417
COC(=O)c1cc(N)ccc1Sc1nccc(C)n1,C51331974_decoy,GLCM,Decoy,0,-6.48547,-4.75,-1.34,-3.376618052965409
O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CCCC[C@@H]1O,C51992741_decoy,GLCM,Decoy,0,-5.27907,-5.96,-0.85,-4.066951421305795
CC(=O)c1ccc(N2CCN([C@H](C)C(N)=O)CC2)c(F)c1,C12534890_decoy,GLCM,Decoy,0,-6.42701,-6.21,-2.35,-5.936002863481088
C[C@H]1CCC[C@@](CO)(NC(=O)/C=C/c2cnn(C)c2)C1,C53107001_decoy,GLCM,Decoy,0,-6.21282,-7.34,-0.94,-6.566803203046614
Cc1nc(N)sc1C(=O)N(C[C@H]1CCOC1)C1CC1,C55174252_decoy,GLCM,Decoy,0,-7.23925,-5.21,-1.04,-4.606091292764733
CN(C)c1ccc(/C=C\C(=O)N[C@@H]2CCCCNC2=O)cc1,C56977423_decoy,GLCM,Decoy,0,-5.52639,-5.86,-2.1,-3.7681724110492416
CC[C@@H](O)c1ccc2c(c1)[C@H](NS(C)(=O)=O)CCO2,C58121933_decoy,GLCM,Decoy,0,-7.72222,-4.59,-1.3,-3.090700242236244
CC[C@@H](C)N1C(=O)C[C@@H](Sc2sc(N)nc2C)C1=O,C36854525_decoy,GLCM,Decoy,0,-8.9554,-6.91,-1.34,-5.5974870437262885
C[C@@H](Cn1cccn1)N[C@@H]1C(=O)Nc2ccc(Cl)cc21,C37155135_decoy,GLCM,Decoy,0,-5.91917,-7.19,-2.25,-4.916849848723872
CCCCS(=O)(=O)/N=C1\C=CC=CC1=C1NCCN1,C62671658_decoy,GLCM,Decoy,0,-6.55823,-5.31,-1.48,-3.551783303298381
CCCC1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1,C62861580_decoy,GLCM,Decoy,0,-6.36265,-7.11,-0.44,-9.796147722106223
CCC[C@@]1(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CCC[NH2+]C1,C62870330_decoy,GLCM,Decoy,0,-6.26624,-6.6,-2.14,-4.64888367273242
Cc1cc(S(=O)(=O)N(C)[C@@H](C)CC#N)cc(N)c1C,C63086130_decoy,GLCM,Decoy,0,-6.17386,-5.95,-2.16,-4.39564581726263
CNC(=O)c1cnc(/C=C/c2ccc(O)c(OC)c2)s1,C65593526_decoy,GLCM,Decoy,0,-7.33152,-6.28,-3.34,-5.616248287177594
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)N/N=C/c2ccc(Cl)cc2)cc1,C00711539_decoy,GLCM,Decoy,0,-7.43789,-6.26,-1.75,-5.177555690439216
NC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1,C06863365_decoy,GLCM,Decoy,0,-3.2581,-7.77,-2.78,-4.226468856197596
C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)Nc1ccccc1Cl,C07449418_decoy,GLCM,Decoy,0,-7.37289,-6.49,-2.01,-5.087197230289477
COc1cc(/C(C)=N\NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)ccc1O,C00867732_decoy,GLCM,Decoy,0,-7.53009,-7.97,-1.1,-6.917312083935716
C[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)Nc1cccc(Cl)c1,C04601419_decoy,GLCM,Decoy,0,-6.90548,-7.43,-2.62,-5.095904624976265
CCCOc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)ccc1OC,C07127335_decoy,GLCM,Decoy,0,-7.12093,-5.72,-3.12,-4.530248261583875
O=c1nc(N/N=C/c2c[nH]c3ccccc23)[nH]nc1Cc1ccccc1,C06681443_decoy,GLCM,Decoy,0,-5.74346,-7.37,-1.59,-5.451955268452256
O=C(/C=C/c1c(Cl)nc2ccccn12)NNC(=O)Cc1c[nH]c2ccccc12,C16073287_decoy,GLCM,Decoy,0,-5.43286,-7.01,-4.93,-5.518286346824927
COc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1N,C16626655_decoy,GLCM,Decoy,0,-5.04862,-8.65,-2.51,-6.999217857782419
Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(O)cc2)c(=O)o1,C16756419_decoy,GLCM,Decoy,0,-8.2159,-8.02,-4.52,-9.219862992413864
Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2N)c1,C16788968_decoy,GLCM,Decoy,0,-6.32616,-7.4,-2.8,-6.059362800434044
Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2N)c1C,C23616322_decoy,GLCM,Decoy,0,-7.37943,-7.4,-4.74,-5.541736177420164
COc1ccc(-c2n[nH]c(SCc3nc(N)c4ccccc4n3)n2)cc1,C09157235_decoy,GLCM,Decoy,0,-6.68496,-7.49,-2.52,-6.047284901833091
COc1ccc(-n2nc3nc(NC(C)C)nc(-c4ccc(F)cc4)c3c2N)cc1,C35930005_decoy,GLCM,Decoy,0,-7.24189,-5.41,-1.16,-5.012822031893519
COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)Nc2ccccc2F)c1,C35935779_decoy,GLCM,Decoy,0,-7.02766,-6.77,-4.14,-6.700792191208381
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)n[nH]2)cc1,C09240267_decoy,GLCM,Decoy,0,-6.79318,-8.67,-2.28,-10.992761696638704
COc1cccc(/C=[NH+]/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1[O-],C02518531_decoy,GLCM,Decoy,0,-7.11448,-7.53,-1.87,-5.762016484027835
Nc1c(NN(c2ccccc2)c2ccccc2)ncnc1-n1cnc2ccccc21,C40778093_decoy,GLCM,Decoy,0,-7.3558,-6.99,-2.3,-7.108878793937704
COc1ccc(Oc2ncnc(Nc3cccc4ncccc34)c2N)cc1,C40797066_decoy,GLCM,Decoy,0,-7.57453,-8.84,-1.4,-7.370286625614521
Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1N,C42184753_decoy,GLCM,Decoy,0,-7.81033,-8.0,-2.92,-6.210249487170884
Cc1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCCCC3)n2N)cc1,C42688351_decoy,GLCM,Decoy,0,-7.16488,-9.02,-2.49,-6.410278691127345
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)Nc1nccs1,C42755567_decoy,GLCM,Decoy,0,-8.54865,-6.7,-3.44,-7.578478762499329
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1Cl,C43264104_decoy,GLCM,Decoy,0,-8.21126,-8.51,-2.81,-7.681874637257067
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2-n2nc(C)cc2C)c1,C44208765_decoy,GLCM,Decoy,0,-6.46147,-8.04,-4.39,-5.230419486349843
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)Nc1ccc(C#N)cc1,C45029334_decoy,GLCM,Decoy,0,-5.06284,-9.72,-3.44,-5.189442866436025
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)NNC(=O)COc1ccccc1C#N)C2,C46907069_decoy,GLCM,Decoy,0,-6.62408,-7.56,-2.45,-6.907301840375774
CCCc1cc(-c2nc(N)ncc2-c2ccc3c(c2)OCCO3)c(O)cc1OC,C01324022_decoy,GLCM,Decoy,0,-8.94512,-7.34,-2.67,-5.9928825234833685
O=C(NNc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1-n1cccn1,C50575123_decoy,GLCM,Decoy,0,-6.30675,-5.86,-3.25,-4.127421465911074
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1,C05164672_decoy,GLCM,Decoy,0,-7.28167,-7.24,-4.61,-5.19887621221793
CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)c(OC)c1,C04643469_decoy,GLCM,Decoy,0,-6.49243,-8.02,-1.02,-5.0256350123810325
CNC(=O)NC(C)(C)C(=O)Nc1ccc(Oc2ccccc2OC)cc1,C53159695_decoy,GLCM,Decoy,0,-7.2222,-6.96,-0.94,-8.915661152987008
CC(C)(C)NC(=O)NC(=O)CNc1cccc(Cl)c1-n1cccn1,C55874909_decoy,GLCM,Decoy,0,-6.30195,-7.32,-1.33,-6.497567614989244
CCOc1ccc(Cl)c(C(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)n1,C56014559_decoy,GLCM,Decoy,0,-6.98429,-7.58,-3.37,-5.436493973329445
COc1c(Cl)cccc1NC(=O)NCc1ccc(N2CCNC(=O)C2)cc1,C56661290_decoy,GLCM,Decoy,0,-7.23883,-8.32,-1.74,-6.131007546099559
COC(=O)c1ccsc1NC(=O)C[C@H]1Nc2ccccc2NC1=O,C05016665_decoy,GLCM,Decoy,0,-7.53077,-6.66,-2.66,-5.419938444886421
COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C#N)=C(N)O2,C00803866_decoy,GLCM,Decoy,0,-6.66134,-6.06,-4.85,-1.7897327593129406
CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1N,C16790947_decoy,GLCM,Decoy,0,-6.02491,-6.41,-3.06,-5.78386026312754
C[C@H](Sc1nnc(-c2ccco2)n1N)C(=O)Nc1ccc(Cl)cc1F,C07449730_decoy,GLCM,Decoy,0,-7.52051,-7.62,-3.19,-7.028819818856808
CSc1nccn1-c1cccc(C(=O)NNC(=O)Nc2ccccc2C)c1,C58861473_decoy,GLCM,Decoy,0,-6.1712,-8.77,-3.5,-6.539866213776957
COc1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2C)cc1,C58864600_decoy,GLCM,Decoy,0,-6.55084,-5.55,-4.89,-4.66413069646753
CC(C)(C)n1ncc2c(=O)[nH]c(NC[C@@H](O)c3ccc(Cl)cc3)nc21,C60377946_decoy,GLCM,Decoy,0,-7.59377,-7.61,-2.88,-5.642880354201504
NC(=O)Cn1cc(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)cn1,C60446920_decoy,GLCM,Decoy,0,-8.00331,-6.46,-4.19,-4.766419448177803
NC(=O)N/N=C1\C(=O)N(CCOc2ccc(Cl)cc2)c2ccccc21,C46084882_decoy,GLCM,Decoy,0,-6.4495,-7.56,-1.67,-8.506583892803272
CCCOc1ccc(C2=NN=C3OC(N)=C(C#N)[C@H](c4ccc(O)cc4)[C@@H]32)cc1,C05883884_decoy,GLCM,Decoy,0,-7.67703,-6.61,-1.02,-4.495313607742401
Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c(C)c1,C63736356_decoy,GLCM,Decoy,0,-6.75301,-7.37,-1.47,-6.893899843559045
CCCCn1c(=O)[nH]c2cc([C@H]3N[C@H](c4ccc(F)cc4)NO3)ccc2c1=O,C64870537_decoy,GLCM,Decoy,0,-7.19701,-7.06,-3.34,-5.475145488839622
Cc1ccc(-c2nc(NCc3cnc(C)cn3)ncc2-c2ccc(N)nc2)cc1,C65394843_decoy,GLCM,Decoy,0,-8.33683,-6.79,-2.1,-5.802452541762563
Cc1nn(C)c(C)c1[C@H](C)NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C,C65486791_decoy,GLCM,Decoy,0,-6.82139,-7.87,-1.14,-6.822089795374133
CCNC(=O)NC1(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)CCCC1,C66672355_decoy,GLCM,Decoy,0,-7.88373,-7.66,-3.62,-5.973237583933683
C[C@H](CCc1ccco1)NC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1,C66679697_decoy,GLCM,Decoy,0,-6.11505,-8.41,-2.93,-5.488273993768349