Target ID,Proasis ID,Structure,Compound ID,IC50,Task,binding_affinity,rank,binding_affinity_ratio
L3001,0atx0,Fc1ccc(cc1)Cc2ncnc3c2CN(CC3)C(=O)Cc4cc(c(cc4)Cl)Cl,41.0,0.763858932,PA,-8.395998582720297,88,0.0
L3003,0atx2,FC(F)(F)c1cc(c(cc1)CCC(=O)N2CCN(CC2)Cc3c(cc(cc3)S(=O)(=O)N)F)Cn4nnc(n4)C,43.0,0.018613433,PA,-10.610211796535024,37,-2.2142132138147277
L3009,0atx8,FC(F)(F)c1cc(c(cc1)CCC(=O)N2CC3=C(C2)CN(C3)C(=O)c4ncc(cc4F)S(=O)(=O)N)Cn5nnc(n5)C,3.0,0.001630097,PA,-12.061860746190218,3,-3.6658621634699213
L3019,0atxj,Clc1c(cc(c(c1)C(C)(C)C)COc2n[nH]c3c2CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N)C,57.0,0.015032797,PA,-10.73756811054188,33,-2.3415695278215827
L3021,0atxl,FC(F)(F)c1cc(c(cc1)CCC(=O)N2CCC(CC2)CC[S@@](=O)c3sc(cn3)S(=O)(=O)N)Cn4nnc(n4)C,59.0,0.002309868,PA,-11.85408957985962,8,-3.4580909971393226
L3024,1atx2,Brc1cc(ccc1)[C@@H](NC(=O)COc2c(cccc2CN3CC(C3)(F)F)OC)CC(=O)NC,62.0,0.2769834,PA,-9.000697653996212,77,-0.6046990712759164
L3026,1atx4,Clc1cc(cc(c1)COC(=O)N5CC2(OCC(C2)NC(=O)c4cc3[nH]nnc3cc4)C5)Cl,64.0,0.007541006,PA,-11.148804795301368,22,-2.7528062125810706
L3027,1atx5,Clc1ccc(cc1)CN2C(=O)NC(C2=O)(C)c3ccc(cc3)C,65.0,0.956439359,PA,-8.261974880404711,95,0.13402370231558683
L3028,1atx6,Clc1c(ccc(c1)Cl)CCC(=O)N[C@H]3Cc2c(cccc2)CN(C3=O)CC(=O)NC,66.0,0.76298425,PA,-8.396681557898605,87,-0.0006829751783079272
L3031,1atx9,Brc1ccc(cc1)CNCc2cn(c3c2cccc3)CCC(=O)NC,69.0,10.0,PA,-6.862854869668753,116,1.5331437130515444
L3035,1atxd,Fc1ccc(cc1)Cc2c3c(ccc2)CCN(C3)C(=O)Cc4cc(c(cc4)Cl)Cl,73.0,0.769073102,PA,-8.391943375241993,89,0.004055207478303287
L3037,1atxf,[nH]1nc(cc1COc2c(cc(c(c2)C)C#N)C(C)(C)C)C(=O)N4CC3(COCC3)CC4,75.0,0.008244959,PA,-11.0956050231655,25,-2.6996064404452045
L3038,1atxg,Clc1c(cc(c(c1)OCc2n(c(cn2)C#N)C)C(C)(C)C)C#N,32.0,0.049465548,PA,-10.027587887117527,53,-1.6315893043972285
L3039,1atxh,N1C=CC=C(C1=O)COc2c(cc(c(c2)C)C#N)C(C)(C)C,76.0,0.0895237,PA,-9.673965291825727,63,-1.2779667091054299
L3042,1atxk,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)N4C3(COC3)CC4)C)C(C)(C)C)C#N,35.0,0.124297378,PA,-9.478341062829765,64,-1.0823424801094679
L3043,1atxl,Clc1c(cc(c(c1)OCc2n3c(cn2)C(=O)N(CC3)C)C(C)(C)C)C#N,37.0,0.416171893,PA,-8.75800102153713,80,-0.36200243881683225
L3044,1atxm,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)NC)C)C(C)(C)C)C#N,34.0,0.085354073,PA,-9.702396415713803,61,-1.3063978329935062
L3045,1atxn,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)NC3COC3)C)C(C)(C)C)C#N,25.0,0.015741051,PA,-10.710125018267236,34,-2.3141264355469398
L3047,1atxp,[nH]1nncc1CCOCC(=O)N3Cc2nc(ncc2C3)NC5Cc4c(cccc4)C5,80.0,0.001737604,PA,-12.023789251631234,4,-3.627790668910935
L3049,1atxr,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)NC3CS(=O)(=O)C3)C)C(C)(C)C)C#N,21.0,0.004969038,PA,-11.397455591814827,15,-3.0014570090945316
L3050,1atxs,N1N=C(CCC1=O)COc2c(cc(c(c2)C)C#N)C(C)(C)C,82.0,0.024384981,PA,-10.449214792306218,41,-2.0532162095859205
L3053,1atxv,Clc1c(cc(c(c1)OCc2n(c(cn2)-c3noc(c3)C4COC4)C)C(C)(C)C)C#N,26.0,0.01677575,PA,-10.672175874781251,35,-2.276177292060953
L3054,1atxw,Clc1c(cc(c(c1)OCc2n(c(cn2)-c3ncnc(c3)OC)C)C(C)(C)C)C#N,31.0,0.041649421,PA,-10.13011050635152,46,-1.734111923631225
L3056,1atxy,s1nc2c(n1)cccc2OCC(=O)N3[C@@H](CC3)C(=O)N,86.0,10.0,PA,-6.862854869668753,115,1.5331437130515444
L3057,1atxz,Clc1cc2c(cc1)CC(C2)Nc3nc4c(cn3)CN(C4)S(=O)(=O)C5COC5,87.0,0.021433681,PA,-10.52611398533033,40,-2.130115402610032
L3058,1bltr,Fc1c(ccc(c1)C)-c2cc(cc(c2)C(=O)NCc3ncc(nc3)C)-n4nnnc4CCC,88.0,0.771863201,PA,-8.389784713877187,90,0.006213868843110836
L3060,1bzwa,Clc1cc(cc(c1)COC(=O)N3CCC2(CN(C2)C(=O)C)CC3)Cl,90.0,0.716797858,PA,-8.433904137484914,86,-0.03790555476461711
L3061,1cuvw,Clc5cc1c(n(c2c1CCN(C2)C(=O)CCc3[nH]cnc3)Cc4ccc(cc4)C#N)cc5,91.0,1.379984022,PA,-8.043438771589056,100,0.35255981113124213
L3064,1dsht,Clc1c(cc(c(c1)C(C)C)C2=NNC(=O)N2C)C,94.0,0.8435814648171239,PA,-8.336821739563579,93,0.05917684315671872
L3066,1fnkr,N1N=C(N(C1=O)C)c2cc4c(c(c2)OCC3CC3)cccc4,96.0,10.0,PA,-6.862854869668753,117,1.5331437130515444
L3068,1gizv,Fc1c(cccc1)-c2cc3c(cc2)N=C(CC(=O)N3)c4cc(ccc4)-c5nnc(o5)C,98.0,10.0,PA,-6.862854869668753,122,1.5331437130515444
L3073,1jgoe,S2\C(=C\c1ccc(cc1)C(C)(C)C)\C(=O)N=C2N3CCCC3,103.0,0.210793024,PA,-9.163481150739706,70,-0.7674825680194086
L3075,1jllp,O3c1c(ccc(c1CCC)OCC(O)COc2c(c(c(cc2)C(=O)C)O)CCC)C(=O)C=C3C(=O)O,105.0,0.214266814,PA,-9.153737711644707,71,-0.7577391289244105
L3076,1juoa,FC(F)(F)Oc1cc(c(cc1)COC(=O)N3CCn2nc(cc2C3)C(=O)N5CCc4[nH]nnc4C5)C,106.0,0.268338597,PA,-9.019598776037835,75,-0.623600193317539
L3077,1jxwo,Clc1cc(cc(c1)CCS(=O)(=O)[C@@H]5C[C@@H]2[C@@H](CN(C2)C(=O)c4cc3nn[nH]c3cc4)C5)Cl,107.0,0.129443784,PA,-9.454157415578338,66,-1.0581588328580405
L3079,1kfkv,Clc1ccc(cc1)-c2sc(nc2C(=O)NC)-n3cnc4c3cc(c(c4)OC)OC,109.0,0.01086159,PA,-10.931301545405704,29,-2.5353029626854062
L3080,1klyn,FC(F)(F)c1ccc(cc1)CCC(=O)c2cc(c(cc2)NC(=O)C)N,110.0,0.498467407,PA,-8.650440841332946,82,-0.25444225861264924
L3081,1knxt,N1N=C(N(C1=O)C)CC(=O)N(Cc2ccccc2)c3ccccc3,111.0,10.0,PA,-6.862854869668753,119,1.5331437130515444
L3083,1kvft,O(CCC(C)(C)c1c(cc(cc1C)C)O)C(=O)C(C)(C)C,113.0,1.131757102,PA,-8.161645722463431,98,0.2343528602568656
L3087,1mgai,Clc1ccc(cc1)-c2c3n(nc2)c(cc(n3)C)NCC4OCCC4,117.0,0.95454977,PA,-8.26315372998884,94,0.1328448527314567
L3090,1nhvn,n1(cncc1)CCCCN(Cc2cnc(cc2)Nc3ccc(cc3)C(C)C)C(=O)C,120.0,0.046870584,PA,-10.059709424352349,51,-1.66371084163205
L3095,1rerr,Clc1c(c(cc(c1)Cl)Cl)C(=O)c2cc(c(cc2)SC)CC3=NNC(=O)C=C3,124.0,1.023684663,PA,-8.22147201713899,96,0.17452656558130705
L3096,1reyd,S3/C(=C\c1ccc(cc1)Oc2ccccc2)/C(=O)N=C3N4CCCC4,125.0,0.135694636,PA,-9.42604513023785,67,-1.0300465475175522
L3099,1svwq,Fc1c(ccc(c1)Cl)-c2cc4c(cc2)NC(=O)[C@@H]3N(CCN(C3)C(=O)OC(C)(C)C)C4=O,128.0,0.506838889,PA,-8.640512810856396,83,-0.24451422813609885
L3101,1twlv,N21[C@H](C[C@@H]([C@H](C1)C#C)CC2)COC(=O)NC3CCCCC3,130.0,4.478746269,PA,-7.3416673879581635,110,1.0543311947621332
L3105,1vjdf,Clc1ccc(cc1)-c2nc(cc(c2)S(=O)(=O)C)C(C)(C)C,134.0,2.518664137,PA,-7.684791191401301,105,0.7112073913189965
L3106,1vjke,Fc1ccc(cc1)C#Cc2cnc(cc2)NC(=O)C,135.0,1.566777419,PA,-7.967764478836765,101,0.4282341038835321
L3109,1wgfk,O[C@H]1[C@H]([C@H]4C5([C@H](C1)O)C3([C@H]([C@]2([C@@]([C@H](CC2)[C@@H](CC(=O)C(=C)C(C)C)C)(CC3)C)C)CC4)C5)C(=O)O,138.0,0.060379608,PA,-9.908740446763726,54,-1.5127418640434287
L3111,1xazx,N1(CCC(CC1)C(=O)NCc2nonc2C)c3c4c(ccc3)C(=O)N(C4=O)CC5CCCCC5,140.0,0.043574353,PA,-10.10317794750321,47,-1.7071793647829125
L3114,1ydsh,Brc1ccc(cc1)/C=C/4\c2c(cccc2)CN5c3c(cccc3)C(=O)N=C54,143.0,0.173306174,PA,-9.28020760540887,69,-0.8842090226885735
L3115,1yevx,Clc1c(c(ccc1)Cl)N4Cc2c(nc(nc2)NCC(O)c3ccccc3)N(C4=O)C,144.0,0.04874025,PA,-10.036393029131062,52,-1.6403944464107652
L3120,2atx0,FC(F)(F)c1c(ccc(c1)C(=O)N[C@H]2C[C@H](CC2)C(=O)N3[C@H](C(=O)N(CC3)CC(=O)NC)Cc4ccccc4)Cl,149.0,0.169093379,PA,-9.294876864221976,68,-0.898878281501679
L3121,2atx1,FC(F)(F)c1cc(ccc1)[C@@H](NC(=O)COc2c(cccc2CN(Cc3scc(n3)C)C)OC)CC(=O)NC,150.0,0.81483285,PA,-8.35749059899522,92,0.0385079837250784
L3126,2atx6,FC(F)(F)Oc1c(cc(cc1)COC(=O)N2CCC(CC2)(O)CNC(=O)c4cc3nn[nH]c3cc4)F,155.0,0.00632449,PA,-11.253674400688737,21,-2.857675817968439
L3127,2atx7,FC(F)(F)Oc1ccc(cc1)COC(=O)N2CCC(CC2)(O)CNC(=O)c4cc3nn[nH]c3cc4,156.0,0.011748215,PA,-10.884526412035177,30,-2.4885278293148785
L3130,2atxa,Clc1cc2c(cc1)CC(C2)Nc3nc4c(cn3)CN(C4)c5ncc(cn5)C,159.0,0.06938252,PA,-9.825892364204734,59,-1.429893781484435
L3131,2atxb,Clc1cc2c(c(c1)C#N)C[C@H](C2)Nc3nc4c(cn3)CN(C4)S(=O)(=O)C,160.0,0.002145292,PA,-11.89815013634028,7,-3.502151553619983
L3132,2atxc,Clc1cc2c(c(c1)C#N)C[C@H](C2)Nc3nc4c(cn3)CN(C4)S(=O)(=O)C5COC5,161.0,0.004661062,PA,-11.4355958228473,14,-3.0395972401270033
L3134,3atx1,[nH]1nnc2c1ccc(c2)C(=O)N5C[C@@H]3[C@H](CN(C3)C(=O)OCc4c(cc(cc4)C#N)NC(=O)C(C)(C)C)C5,163.0,0.013147097,PA,-10.817465364923768,32,-2.4214667822034697
L3137,3atx4,Clc2cc1n(cc(c1cc2)C(=O)N3CCN(CC3)c4ncccc4C)CC(=O)N(C)C,166.0,8.376881855,PA,-6.9684297480889175,113,1.4275688346313802
L3138,3atx5,Clc1ccc(cc1)/N=N/C2C(=NNC2=O)C3CCN(CC3)C(=O)C,167.0,10.0,PA,-6.862854869668753,123,1.5331437130515444
L3139,3atx6,Clc4c(cc1c(n(cc1C(=O)N2CCC(CC2)c3c(cccc3)OC)CC(=O)N(C)C)c4)C,168.0,1.081092821,PA,-8.188946495464315,97,0.20705208725598365
L3140,3atx7,n21c(nnc1)c(nc3c2cccc3)Nc4cc(cc(c4)OC)OC,169.0,2.481024975,PA,-7.693766600811382,104,0.7022319819089154
L3141,3atx8,FC(F)(F)c1cc(cc(c1)C(F)(F)F)/N=N/C2C(=NNC2=O)C3CCN(CC3)C(=O)C,170.0,2.95032477,PA,-7.590496159609677,107,0.8055024231106204
L3142,3atx9,Clc4cc1c(n(c2c1CCNC2=O)CCOC3OCCCC3)cc4,171.0,4.256626778673182,PA,-7.371988697571114,109,1.024009885149184
L3143,4atx0,N1(CCCC1)c2oc(nc2C#N)COc3c(cc(c(c3)C)C#N)C(C)(C)C,172.0,0.046778793,PA,-10.060877966725505,50,-1.6648793840052085
L3144,4atx1,FC(F)(F)Oc1cc(ccc1)Cn2c4c(c3c2CN(CCC3)C(=O)N)cccc4,173.0,0.353260307,PA,-8.85569774641385,79,-0.4596991636935537
L3145,4atx2,N1(CCC(CC1)NC(=O)c2ccc(cc2)Nc3nc4c(cn3)N(C(=O)N4C)Cc5ccccc5)C,174.0,0.061158503,PA,-9.90109995174182,55,-1.5051013690215227
L3149,4atx6,Clc1c(cc(c(c1)C(C)(C)C)OCc2ncncc2)C,178.0,0.475245865,PA,-8.678878342910176,81,-0.28287976018987865
L3150,4atx7,Clc1c(cc(c(c1)C(C)(C)C)OCc2ncccc2)C,179.0,1.986878602,PA,-7.826164527231205,103,0.5698340554890926
L3151,4atx8,FC(F)(F)Oc1ccc(cc1)COC(=O)N2C[C@H]3[C@H](C2)CN(C3)C(=O)c4nc5c(cc4)NC(=O)O5,180.0,0.009084531,PA,-11.037800554227731,26,-2.6418019715074337
L3154,5atx1,N1N=C(N(C1=O)C)c2cnc(c(c2)C3CC3)OC4CCOCC4,183.0,10.0,PA,-6.862854869668753,120,1.5331437130515444
L3156,5atx3,N1N=C(N(C1=O)C)COc2c(cc(cc2)C#N)NC(=O)C(C)(C)C,185.0,5.600066045,PA,-7.208477644476114,111,1.1875209382441845
L3157,5atx4,[N+](=O)([O-])c1c(ccc(c1)C(=O)Nc2ccccc2)-c3cn(c4ncccc43)Cc5ccccc5,186.0,0.030999568,PA,-10.306147299809975,45,-1.910148717089679
L3158,5atx5,[N+](=O)([O-])c1c(ccc(c1)C(=O)NC)-c2cn(c3ncccc32)Cc4ccccc4,187.0,0.046685988,PA,-10.062061751207512,49,-1.6660631684872145
L3159,5atx6,Clc2nc1[nH]nc(c1cc2)-c3cnc(c(c3)C4CC4)OC5CCOCC5,188.0,1.826664486,PA,-7.8762805898173465,102,0.5197179929029503
L3160,5atx7,Clc1c(cc(c(c1)Cl)C(=O)Nc2ccccc2)S(=O)(=O)N3CCCCC3,189.0,3.494236975,PA,-7.4896361725364,108,0.9063624101838965
L3162,5atx9,[N+](=O)([O-])c1c(ccc(c1)C(=O)NC)-c2cnc(c(c2)C)OCCC,191.0,2.804638881,PA,-7.620682941575394,106,0.775315641144903
L3165,6atx2,Fc1c(ccc(c1)CN5c2c(nc(nc2)Nc3ccc(cc3)C(=O)N4CCC(CC4)S(=O)(=O)N)N(C5=O)C)F,194.0,0.00233021,PA,-11.848862967770641,9,-3.4528643850503444
L3170,6atx7,Clc1c(ccc(c1)Cn2nnc(c2)CN5C=Nc3c(cc(cc3)N4CCN(CC4)C(=O)C)C5=O)Cl,199.0,0.030941354,PA,-10.307267766683784,44,-1.911269183963486
L3171,6atx8,Fc1c(ccc(c1)Cn2nnc(c2)CN5C=Nc3c(cc(cc3)N4CCN(CC4)C(=O)C)C5=O)C#N,200.0,10.0,PA,-6.862854869668753,121,1.5331437130515444
L3177,7atx4,Clc1ccc(cc1)-c2nc3n(c2)C(=O)C=C(N3CCCCC)C,206.0,0.065824167,PA,-9.85727578457932,58,-1.461277201859023
L3183,8atx0,Clc1c(ccc(c1)CN(C)C(=O)CC4=CN=C2N(C=C(C=C2)C3CCN(CC3)C(=O)C)C4=O)Cl,212.0,0.798930775,PA,-8.369238953705313,91,0.026759629014983848
L3184,8atx1,FC(F)(F)c1cc(c(cc1)/C=C/C(=O)N(CCOc2ccccc2)C)Cn3nnc(n3)C,213.0,0.008162606,PA,-11.101588974537213,24,-2.705590391816915
L3186,8atx3,FC(F)(F)c1cc(c(cc1)\C=C\C(=O)N4C[C@H]2[C@@H](CN(C2)C(=O)c3c(cc(cc3)S(=O)(=O)N)F)C4)Cn5nnc(n5)C,215.0,0.001946492,PA,-11.956119010767015,6,-3.560120428046717
L3188,8atx5,Clc1c(ccc(c1)CN(C)C(=O)CN4CCc2c(cc(cc2)C3CCN(CC3)C(=O)COC)C4=O)C#N,217.0,0.271592643,PA,-9.012413563690462,76,-0.6164149809701651
L3189,8atx6,Clc1c(ccc(c1)CN(C)C(=O)CN5C=Nc2c(cc(cc2)N3CCN(CC3)c4sccn4)C5=O)Cl,218.0,0.076434234,PA,-9.768192434185051,60,-1.3721938514647527
L3190,8atx7,Brc1cc(ccc1)-c2[nH]nc(c2)C(=O)OCC,219.0,9.481569353,PA,-6.894588400323512,114,1.5014101823967854
L3192,8atx9,Brc1nc(cnc1N)-c2ccc(cc2)C(F)(F)F,221.0,10.0,PA,-6.862854869668753,118,1.5331437130515444
L3194,9atx1,Clc1c(ccc(c1)Cl)/C=C(\OC(CC)C)/c2cnccc2,223.0,0.314573845,PA,-8.924837209007663,78,-0.5288386262873658
L3196,9atx3,S(=O)(=O)(N)c1cnc(cc1)C(=O)N2C[C@@H]3[C@@H](C2)CN(C3)C(=O)c4cc(nc(c4)C5CC5)OCC6CCOCC6,225.0,0.004166302,PA,-11.502486878761786,13,-3.106488296041489
L3197,9atx5,Fc1c(ccc(c1)S(=O)(=O)N)C(=O)N2C[C@@H]3[C@@H](C2)CN(C3)C(=O)c4cc(nc(c4)C5CC5)OCC6CCOCC6,226.0,0.004993155,PA,-11.394569445805809,16,-2.9985708630855106
L3200,9atx8,FC(F)(F)c1cc(c(cc1)CCC(=O)N(CCOc2ccc(cc2)S(=O)(=O)N)C)Cn3nnc(n3)C,229.0,0.25904507,PA,-9.040609836242801,74,-0.6446112535225029
L3202,,Clc1c(cc(c(c1)OCc2n(c(cn2)-c3nnc(o3)C)C)C(C)(C)C)C#N,33.0,0.065112585,A,-9.8637549159109,57,-1.4677563331906036
L3203,,Clc1c(cc(c(c1)OCc2n(c(cn2)-c3noc(c3)CCO)C)C(C)(C)C)C#N,27.0,0.018009745,A,-10.629865525932697,36,-2.2338669432124
L3204,,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)N3CC(C3)(C)C)C)C(C)(C)C)C#N,38.0,0.542701107,A,-8.599760111894177,84,-0.20376152917388007
L3205,,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)N3CC4(C3)COC4)C)C(C)(C)C)C#N,39.0,1.258347813,A,-8.098442301454426,99,0.29755628126587075
L3206,,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)NC3C(C(C3)O)(C)C)C)C(C)(C)C)C#N,23.0,0.01055737,A,-10.948235863223873,28,-2.552237280503577
L3207,,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)NC3CC3)C)C(C)(C)C)C#N,29.0,0.026607714,A,-10.397214745733894,42,-2.0012161630135976
L3208,,Clc1c(cc(c(c1)OCc2n(c(cn2)C(=O)NCC)C)C(C)(C)C)C#N,30.0,0.030324222,A,-10.319277278459545,43,-1.9232786957392487
L3209,,Clc1c(cc(c(c1)OCc2n(c(cn2)CO)C)C(C)(C)C)C#N,36.0,0.232669708,A,-9.10462035157252,72,-0.7086217688522216
L3210,,FC(F)(F)CNC(=O)c1n(c(nc1)COc2c(cc(c(c2)Cl)C#N)C(C)(C)C)C,22.0,0.005749142,A,-11.310529687075903,20,-2.9145311043556057
L3211,,FC(F)(F)Oc1ccc(cc1)OCC(=O)N2CC3=C(C2)CN(C3)C(=O)c4c(cc(cc4)S(=O)(=O)N)F,13.0,0.009234601,A,-11.028033854780956,27,-2.632035272060658
L3212,,FC(F)(F)Oc1ccc(cc1)OCC(=O)N2CC3=C(C2)CN(C3)C(=O)c4ncc(cc4)S(=O)(=O)N,12.0,0.007731891,A,-11.13390356552017,23,-2.7379049827998716
L3213,,FC(F)(F)c1cc(c(cc1)CCC(=O)N2CC3=C(C2)CN(C3)C(=O)c4c(cc(cc4)S(=O)(=O)N)F)Cn5nnc(n5)C,1.0,0.001149672,A,-12.269996713891548,1,-3.8739981311712515
L3214,,FC(F)(F)c1cc(c(cc1)CCC(=O)N2CC3=C(C2)CN(C3)C(=O)c5cc4nn[nH]c4cc5)Cn6nnc(n6)C,2.0,0.001222552,A,-12.233358146915275,2,-3.8373595641949767
L3215,,FC(F)(F)c1cc(c(cc1)CCC(=O)N2CC3=C(C2)CNC3)Cn4nnc(n4)C,20.0,0.578455518,A,-8.561727184816192,85,-0.16572860209589493
L3216,,FC(F)(F)c1cnc(c(c1)NC(=O)C(C)(C)C)COC(=O)N2CC3=C(C2)CN(C3)C(=O)[C@@H]5CCc4[nH]nnc4C5,5.0,0.003018516,A,-11.694588158219524,10,-3.298589575499227
L3217,,FC(F)(F)c1cnc(c(c1)NC(=O)C(C)(C)C)COC(=O)N2CC3=C(C2)CN(C3)C(=O)c4c(cc(c(c4)F)S(=O)(=O)N)F,6.0,0.003444691,A,-11.615861895664771,11,-3.2198633129444745
L3218,,FC(F)(F)c1cnc(c(c1)NC(=O)C(C)(C)C)COC(=O)N2CC3=C(C2)CN(C3)C(=O)c4c(cc(cc4F)S(=O)(=O)N)F,4.0,0.001850598,A,-11.98623395178017,5,-3.590235369059873
L3219,,FC(F)(F)c1cnc(c(c1)NC(=O)C(C)(C)C)COC(=O)N5CC2=C(CN(C2)C(=O)N4CCc3[nH]nnc3C4)C5,11.0,0.005725733,A,-11.312961804943436,19,-2.916963222223139
L3220,,FC(F)Oc1c(cc(c(c1)C(C)(C)C)OCc2n(c(cn2)C(=O)NC3CN(C3)C(=O)C)C)F,28.0,0.021258077,A,-10.531017889018749,39,-2.1350193062984517
L3221,,FC1(CC(C1)(NC(=O)c2n(c(nc2)COc3c(cc(c(c3)Cl)C#N)C(C)(C)C)C)C)F,24.0,0.012762736,A,-10.835152426139446,31,-2.439153843419151
L3222,,Fc1c(cc(c(c1)C(=O)N4CC2=C(CN(C2)C(=O)OCc3nc(ccc3NC(=O)C(C)(C)C)Cl)C4)F)S(=O)(=O)N,19.0,0.248287598,A,-9.065893011430253,73,-0.6698944287099566
L3223,,Fc1c(ccc(c1)C(=O)N4CC2=C(CN(C2)C(=O)OCc3ncc(cc3NC(=O)C(C)(C)C)Cl)C4)S(=O)(=O)N,9.0,0.005260713,A,-11.363453863685942,17,-2.967455280965646
L3224,,Fc1c(ccc(c1)S(=O)(=O)N)C(=O)N4CC2=C(CN(C2)C(=O)OCc3nc(ccc3NC(=O)C(C)(C)C)C)C4,18.0,0.124771539,A,-9.476071428248602,65,-1.0800728455283053
L3225,,Fc1c(ccc(c1)S(=O)(=O)N)C(=O)N4CC2=C(CN(C2)C(=O)OCc3ncc(cc3NC(=O)C(C)(C)C)C#N)C4,10.0,0.005589907,A,-11.327272929633189,18,-2.931274346912893
L3226,,Fc1c(ccc(c1)S(=O)(=O)N)C(=O)N4CC2=C(CN(C2)C(=O)OCc3ncccc3NC(=O)C(C)(C)C)C4,17.0,0.089242062,A,-9.675843554741647,62,-1.2798449720213503
L3227,,Fc1c(ccc(c1)S(=O)(=O)N)C(=O)N4CC2=C(CN(C2)Cc3nc(ccc3NCC(C)(C)C)Cl)C4,16.0,0.064332592,A,-9.870938798160896,56,-1.474940215440598
L3228,,Fc1c(ccc(c1)S(=O)(=O)N)C(=O)N5CC2=C(CN(C2)C(=O)CCc3c(cc(cc3)C#N)Cn4nnc(n4)C)C5,15.0,0.045390499,A,-10.078836760351505,48,-1.682838177631208
L3229,,N1(CC2=C(C1)CN(C2)C(=O)c3cc4c(cc3)NC(=O)N4C)C(=O)c5cc(nc(c5)C6CC6)OCC7CCOCC7,7.0,0.003575653,A,-11.593619251804025,12,-3.197620669083728
L3230,,[nH]1nncc1COC(=O)N2CC3=C(C2)CN(C3)C(=O)c4cc(nc(c4)C5CC5)OCC6CCOCC6,14.0,0.018818375,A,-10.603684345500728,38,-2.207685762780432
L3231,,n1(c(ncc1C(=O)OC)COc3c(cc2ocnc2c3)C4CCC4)C,40.0,7.793521143,A,-7.01145802588226,112,1.3845405568380373