openadmet_id,smiles,true_pEC50,pred_pEC50_mean,pred_pEC50_std,butina_cluster,fold
OADMET-0006089,CC1C2CCCCC2CN1C(=O)c1cc(F)cc2c1CNCC2,5.27,4.74404764175415,0.10382418968362714,2976,0
OADMET-0006088,CN(C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)C1CCNC1,5.08,4.857639312744141,0.10233846591325178,2975,1
OADMET-0006087,O=C(C1CCCC1)N1CC(S(=O)(=O)NC2CC2c2c(F)cccc2F)C1,5.12,4.799061393737793,0.18393668388304193,2974,3
OADMET-0006086,CC1CN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CCN1c1nccn2cnnc12,5.23,4.951854610443116,0.06550193046066004,2973,4
OADMET-0006085,CC1(c2noc(C3=NN(Cc4ccc(F)cc4)C(=O)CC3)n2)CCC1,5.28,5.086365509033203,0.04345848164204118,2972,0
OADMET-0006084,COc1ncnc(OC)c1C(=O)N1CCC(Cc2ccc(F)cc2)C1,4.5,3.0015201568603516,0.10806231589382782,105,2
OADMET-0006083,CCS(=O)(=O)N1CCC(c2ccccc2)(c2nc(Cc3cnc(C4CC4)o3)no2)CC1,4.66,4.6071457862854,0.13345285429854947,717,3
OADMET-0006082,Fc1ccc(C2CCC(n3cc(C4CCNCC4)nn3)C2)cc1F,5.18,3.7287692546844484,0.13331012462083003,2971,1
OADMET-0006081,CC(C)c1ccc(CNC(=O)NCC2CC3(CC3)S(=O)(=O)N2)cc1,4.31,4.18599853515625,0.053027626569443334,2970,2
OADMET-0006080,Cc1nnc2ccc(-c3noc(C4CC(C)(C)Oc5ccccc54)n3)cn12,4.24,3.990164566040039,0.14574447279297248,280,0
OADMET-0006079,CN(CC1CCCCC1O)C(=O)NCC1CCN(CC(F)(F)F)CC1,5.3,4.35146656036377,0.1264055189071695,2969,3
OADMET-0006078,CCCOc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cc1,4.19,4.72079553604126,0.08025729396328435,2968,4
OADMET-0006077,COCC(NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(Br)c1,5.07,5.677959728240967,0.12382797565161167,2967,0
OADMET-0006076,Cc1ccc(NCc2cccc3ccccc23)cc1-n1cnnn1,5.12,5.212414646148682,0.15796223001073134,2966,1
OADMET-0006075,O=C(Cc1cc2cc(Cl)ccc2[nH]1)N[C@H]1CCCc2cccnc21,5.03,4.98189344406128,0.14099283999605253,268,1
OADMET-0006074,Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(C3CCCO3)C2)c1,5.14,4.983961486816407,0.08572849470040891,287,4
OADMET-0006073,O=C(CNS(=O)(=O)c1ccccc1F)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1,5.07,4.667229270935058,0.12213015099941966,2965,2
OADMET-0006072,Cc1nocc1Cc1noc(-c2cccn(CC(C)C)c2=O)n1,5.44,4.552326011657715,0.06476656304959746,766,1
OADMET-0006071,Cc1cc(F)ccc1Cc1noc(C2CCc3nccn3C2)n1,3.96,4.13823823928833,0.12760343589607548,2964,3
OADMET-0006070,COC(c1noc(Cc2cc(C)on2)n1)c1ccccc1Cl,4.36,4.895068264007568,0.06898391307821407,2963,4
OADMET-0006069,CC(C)Oc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)C1=O,5.19,5.217660427093506,0.11164141657681029,99,3
OADMET-0006068,O=C1CCCN1[C@H]1CCCC[C@H]1c1nc(-c2cnn(CCF)c2)no1,4.76,4.6992998123168945,0.12155333959063487,2962,0
OADMET-0006067,COc1cc(NCCNC(=O)c2cnn3c2NCCC3)cc(OC)c1,4.74,4.812269306182861,0.1731307045243464,2961,1
OADMET-0006066,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CC2(CC=CC2)C1c1ccccc1,5.02,5.233033943176269,0.08387126920113316,291,4
OADMET-0006065,Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC3(CCC3)C2)c(C)cc1Cl,5.2,5.815779399871826,0.15080455094750078,2960,2
OADMET-0006064,CC(C)(C)OC(=O)N1CC2(CCCC2)CCC1CN1CCCN(C(N)=O)CC1,4.61,4.64271993637085,0.21620721921333674,2959,3
OADMET-0006063,CCc1nn(Cc2cccc3c2CCOC3)c(=O)c(C#N)c1CC,5.44,5.039698696136474,0.09066701958429788,641,3
OADMET-0006062,O=C(NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cnc2ccccc2c1,4.81,4.292700958251953,0.03627473639808661,2958,4
OADMET-0006061,Cc1nccn1-c1ncccc1CNC1CCCc2ccc(F)cc21,4.69,4.790698432922364,0.12228680000195694,2957,0
OADMET-0006060,CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(Br)o1,4.87,4.830284500122071,0.05021157952123061,300,0
OADMET-0006059,CCC(=O)NC(C(=O)N1CC=C(c2cccs2)CC1)c1ccccc1,4.45,4.333276271820068,0.11806344021086757,2956,1
OADMET-0006058,O=C(NC1(c2c(F)cccc2F)CCC1)C1CNCc2ccccc21,5.26,5.357992839813233,0.15587699230205193,2955,2
OADMET-0006057,CCOc1ccc(C(=O)N(C)CCc2ccc(O)c(OC)c2)cc1C,4.48,4.9991191864013675,0.13366943249654922,2954,1
OADMET-0006056,COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCc1n[nH]c2ccccc12,4.58,4.4399879455566404,0.07141482872866728,2953,0
OADMET-0006055,CC(C)Cn1cc(C(=O)N2CCCC2c2ccc3c(c2)OCO3)cn1,4.95,5.30576343536377,0.060703233035977446,746,4
OADMET-0006054,Cc1cnn(C)c1S(=O)(=O)N(C)CCNc1ccccn1,4.68,4.152726554870606,0.13755480117490324,2952,4
OADMET-0006053,Cc1cccc(C2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1,5.31,5.25439977645874,0.06942373301680627,767,2
OADMET-0006052,CCN1N=C(c2ccccc2)C(C(=O)Nc2ccccc2F)C1=O,4.6,4.305558109283448,0.15516851347853905,2951,4
OADMET-0006051,CCCOC1(c2noc(-c3cc(=O)[nH]c(C4CC4)n3)n2)CCCCC1,5.11,4.687621593475342,0.12304132844733263,2950,0
OADMET-0006050,O=C1NC(Cc2ccccn2)C(=O)N1CCc1cccc2cccnc12,5.18,4.519148445129394,0.12283673847267544,2949,1
OADMET-0006049,CC(Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCC(F)(F)F,4.85,4.3462605476379395,0.15611756018779693,2948,2
OADMET-0006048,CN(C)c1cccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1,4.99,4.464619445800781,0.2315302885144791,2947,3
OADMET-0006047,COc1ccc(CC(=O)NC(c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1,4.93,5.115731906890869,0.07958178799546269,2946,4
OADMET-0006046,CNC(=O)c1ncoc1C1C2CC1N(C(=O)Cc1ccc(Cl)cc1Cl)C2,5.13,4.606940364837646,0.1128889334718149,2945,0
OADMET-0006045,O=C(Cc1noc2ccccc12)NC1CCCN(Cc2ccc(F)cc2F)C1=O,5.42,4.9567896842956545,0.03219545526071888,65,4
OADMET-0006044,C#CC(C)(C)N1CCN(S(=O)(=O)N2CC3CCC2C3)CC1,4.93,4.879533576965332,0.10473681385509735,2944,1
OADMET-0006043,O=C1CCCN1CC(NCc1n[nH]c2ccccc12)c1ccccc1,4.72,4.702131557464599,0.05002525606919865,729,4
OADMET-0006042,COC1(C)CCCN(C(=O)c2ncccc2NCC2CCC2)CC1,5.24,5.889300918579101,0.04022852607593351,2943,2
OADMET-0006041,COc1ccc2nc(C(=O)N(C)CCc3ccc(F)cc3)ccc2c1,5.09,5.087820625305175,0.12705243641912842,2942,3
OADMET-0006040,CCOC(=O)c1c(NC(=O)CN(C)Cc2ccon2)sc(C(N)=O)c1C,5.3,4.59480562210083,0.16074968678504528,2941,3
OADMET-0006039,O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCC(N2CCNC2=O)C1,4.18,3.7760568618774415,0.08559406039437263,728,0
OADMET-0006038,O=C1c2ccccc2CN1CC(=O)N1CCCC1c1nc2ccccc2s1,4.94,5.108476829528809,0.05930422196568627,2940,0
OADMET-0006037,Cc1cccn2c(=O)cc(Cn3cc(C(O)c4ccccc4)nn3)nc12,4.74,4.35666036605835,0.1063938562218684,741,1
OADMET-0006036,CC(C)Cn1cccc(-c2nc(-c3coc(C4CCC4)n3)no2)c1=O,5.2,4.819203281402588,0.1485968639060191,766,1
OADMET-0006035,N#Cc1ccc(CCSc2ccc(C(=O)N3CCCC3)cn2)cc1,5.53,4.499747085571289,0.07578087880643694,2939,1
OADMET-0006034,CC1(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CCCCC1,4.93,5.371006202697754,0.14816874653231268,2938,2
OADMET-0006033,CC1c2c(F)cccc2CCN1C(=O)Nc1ccc(-n2cccn2)nc1,5.14,4.594384002685547,0.07717853006720184,2937,3
OADMET-0006032,CON(C)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1,4.76,4.918897247314453,0.09842348768510904,2936,4
OADMET-0006031,CC(C)(C)OC(=O)NCc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1,4.42,3.4508368968963623,0.14558361963921168,2935,0
OADMET-0006030,CC1(C)CN(c2cc(-c3ccccc3)nc3ncnn23)CC2(CCOC2)O1,5.06,4.404039001464843,0.1600143811552562,2934,1
OADMET-0006029,Cc1c(CNC(=O)C(c2ccccc2)N2CCC(O)CC2)oc2ccc(F)cc12,4.74,5.189309310913086,0.14523524289286116,76,2
OADMET-0006028,Cc1cc(C(=O)NC2(c3ccccn3)CC2)nn1-c1cccc(Cl)c1,5.23,5.570073986053467,0.14459387055103692,2933,2
OADMET-0006027,COCc1cc(Cn2cc(C34CC5CC(CC(C5)C3)C4)nn2)no1,5.23,4.595367527008056,0.14681038650372158,2932,3
OADMET-0006026,O=C(Nc1cc2n(n1)CCCC2)c1cccc(C2CCOC2)c1,4.64,5.1298830032348635,0.1280729740010761,2931,2
OADMET-0006025,Cc1conc1CS(=O)(=O)N(C)C(c1ccccc1)C(F)(F)F,5.22,5.013686466217041,0.0628184342478482,2930,3
OADMET-0006024,Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(OC(F)F)cc2)nn1,4.61,4.510115718841552,0.12961286638342295,2929,4
OADMET-0006023,CCc1ccc(C2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)o1,4.98,5.232506561279297,0.1351726200263198,2928,2
OADMET-0006022,Cn1nccc1C12CCC(C1)C2C(=O)NCCCc1c[nH]nc1C(F)(F)F,4.97,4.301133728027343,0.08256654337183991,2927,4
OADMET-0006021,Cc1cccc2cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)oc12,4.93,5.0776420593261715,0.10850845009031305,108,0
OADMET-0006020,CC1(c2nc(-c3csc(C(F)(F)F)c3)no2)CCNC(=O)C1,5.07,4.2868023872375485,0.13855500071405388,2926,0
OADMET-0006019,O=C(NCCc1c[nH]c2cc(F)ccc12)C1COc2ccccc21,4.73,4.93695182800293,0.07924223969153257,2925,1
OADMET-0006018,Cc1ccc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)nc1C,4.63,4.601916313171387,0.1563186190637237,108,0
OADMET-0006017,COc1ccc2nc(CN3CCCC(N4CCCC4=O)CC3)sc2c1,5.16,3.9768283367156982,0.12903174162679254,2924,2
OADMET-0006016,CC(C)c1ncncc1C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1,4.26,4.357281017303467,0.15876953900874977,2923,3
OADMET-0006015,CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cc(-c4ccco4)nn3C)cc(C3CC3)nc21,4.51,4.494863796234131,0.1026629695593542,731,3
OADMET-0006014,Cc1noc(C)c1-c1cn(C(C(=O)N(C)C)c2ccccc2)nn1,5.39,4.7325338363647464,0.11779047909015301,2922,4
OADMET-0006013,NS(=O)(=O)N1CCCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,4.34,4.09819188117981,0.16850623940437778,136,3
OADMET-0006012,CCC(NC(CO)Cc1ccc(F)cc1)c1ccccc1F,4.93,5.237097072601318,0.04258611863076648,2921,0
OADMET-0006011,c1ccc(-c2cc(NC3COC(C4CC4)C3)n3nccc3n2)cc1,5.11,4.905937385559082,0.0669069230000684,2920,1
OADMET-0006010,CCn1c(-c2cc(C)oc2C)nnc1N(C)CCCSC,5.28,4.896704196929932,0.11202331631665971,2919,2
OADMET-0006009,COc1ccc2c(c1)CC(c1nnc(-c3ccccc3F)o1)CO2,4.11,4.560957431793213,0.08396927901226142,2918,3
OADMET-0006008,CCc1nocc1Cn1cc(-c2ccccc2OC)nn1,4.81,4.644444561004638,0.08275585749617266,59,0
OADMET-0006007,O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCCc1nc2ccccc2s1,4.99,3.7396358966827394,0.061509477398560074,2917,4
OADMET-0006006,CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CN1C(=O)CCOc2ccccc21,4.81,4.623465919494629,0.06641308018448915,302,0
OADMET-0006005,CNC(=O)C(NC(=O)c1cc(C)ccc1O)c1ccccc1,4.4,4.597143459320068,0.12149301884344342,427,1
OADMET-0006004,O=C(C1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC2(CC1)OCCO2,4.69,4.393316078186035,0.1482007921567985,2916,0
OADMET-0006003,CCCCC(=O)N1CSCC1C(=O)N1CCC[C@]1(C)C(=O)OC,4.38,5.0868227005004885,0.1191129493118553,2915,1
OADMET-0006002,Cc1ccccc1C(C)Cc1nc(-c2ncoc2C)no1,4.61,4.632698440551758,0.12294301428364551,2914,2
OADMET-0006001,CC1(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCCN(C(=O)c2ccccc2)C1,5.16,4.90045804977417,0.14946467773781466,2913,3
OADMET-0006000,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C(O)C1CCCCC1,5.22,5.352216148376465,0.1442812752013786,2912,4
OADMET-0005999,Cc1csc(C(O)(CC(=O)N2CCC(c3ccccc3C)CC2)C(F)(F)F)n1,4.98,4.89812479019165,0.07983766528332124,2911,0
OADMET-0005998,CNC(=O)c1ccc(CN(C)C(=O)NC2CCCN(c3cccc(F)c3)C2)cc1,4.83,4.395436382293701,0.14863638594941098,765,1
OADMET-0005997,CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nnc2n1CCCCC2,5.11,4.440435218811035,0.14792411032286937,2910,1
OADMET-0005996,CN(C)C(=O)C(Cc1ccccc1)NCc1cccc2[nH]ccc12,4.85,4.505859851837158,0.12324129865662484,2909,2
OADMET-0005995,CC(C)(C)c1ccc(Cl)cc1NC(=O)c1ccn(C2CCOCC2)n1,5.1,4.983554458618164,0.219642357545348,2908,3
OADMET-0005994,C=C1CC(C)(C(=O)N[C@H]2CCCCC[C@H]2NC(=O)C2(C)CC(=C)C2)C1,5.16,5.838282299041748,0.23031198645747075,2907,1
OADMET-0005993,Cn1c(-c2nc(C3(c4ccc(F)cc4)CCC3)no2)cccc1=O,5.08,4.881279563903808,0.06775733675741488,334,0
OADMET-0005992,COc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1C,4.56,4.711815452575683,0.07971001448091211,2906,0
OADMET-0005991,COc1ccc2[nH]nc(NC(=O)C3(c4ccccc4)CCCO3)c2c1,4.65,4.833687973022461,0.14678159223716455,333,1
OADMET-0005990,CC(=O)NCc1ccc(-c2csc(C3CCCN(C(C)=O)C3)n2)s1,4.84,4.425788688659668,0.09603585966698505,188,0
OADMET-0005989,COc1ncccc1C(=O)NC1(c2ccccc2F)CC1,4.7,5.431778526306152,0.04737847639488854,764,0
OADMET-0005988,CSc1cc2c(cc1NC(=O)N1CCCC3(CCOCC3)C1)OCCO2,4.52,4.799016761779785,0.09077881356482581,140,0
OADMET-0005987,COC1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1,4.83,4.584883785247802,0.17071928604225264,306,3
OADMET-0005986,CCOc1c(Cl)cc(C(=O)NC(C)c2noc(-c3ccccc3)n2)cc1OC,4.63,4.706637001037597,0.09963761871411927,755,0
OADMET-0005985,C#Cc1ccnc(N(CC)C(=O)c2cccc(OCCOC)c2)c1,4.82,4.543845272064209,0.09389630221083982,763,2
OADMET-0005984,O=C(c1c[nH]c2ncc(Br)cc12)N1CCCC(n2ccnc2)C1,5.35,3.3716903209686278,0.11218966446064481,2905,0
OADMET-0005983,CN(C)C(=O)C(OC(=O)c1c(F)cc(O)cc1F)c1ccccc1,4.56,4.726396179199218,0.1075068508701489,2904,1
OADMET-0005982,CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccn(C)n1,4.42,4.682654571533203,0.1047498722756571,2903,2
OADMET-0005981,O=C(NCC1(c2ccccc2)CCCO1)c1ccc2[nH]cnc2c1,4.5,4.214695930480957,0.08360790288867395,70,0
OADMET-0005980,Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nccn(C)c3=O)c12,4.42,3.9863383769989014,0.13562933918786693,520,3
OADMET-0005979,Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cnn(C(C)C)c1,5.2,5.511166572570801,0.10589994934139682,285,4
OADMET-0005978,Cc1cc(C)c(C(=O)N(Cc2cnn(C)c2)CC(C)C)c(C)n1,4.26,4.1577517032623295,0.12248318223795315,362,4
OADMET-0005977,O=C(Nc1nc(C2CC2)cs1)c1cn(CCc2ccccc2)nn1,5.36,4.560304164886475,0.09929790569568964,2902,3
OADMET-0005976,CC(C)(C)c1csc(C2CN(C(=O)c3cccc(C(=O)O)c3)CCO2)n1,5.0,3.6683599948883057,0.07058096041890806,2901,4
OADMET-0005975,O=C(Nc1ccc(F)nc1)N1CCC(Cc2ccc(F)cc2)C1,4.71,4.036504936218262,0.12311856011127924,105,2
OADMET-0005974,COCCOc1cccc(C(=O)N(C)c2ccc(C(=O)OC)cc2)c1,4.06,4.530824184417725,0.08597954769901146,763,2
OADMET-0005973,O=C(NCc1cccc(OC(F)(F)F)c1)NC1CC12CCOCC2,4.68,4.183030414581299,0.07070310493475519,2900,0
OADMET-0005972,COc1ccc2c(ccn2CC(=O)NCC2(N3CCOCC3)CCCCC2)c1,5.11,4.754998970031738,0.08992490314443334,91,2
OADMET-0005971,COc1ccccc1Nc1ncccc1C(=O)NCC1(C(N)=O)CCOCC1,4.68,3.9668192863464355,0.08011174816912438,2899,1
OADMET-0005970,Cc1cnn(C2CCN(C(=O)NCC(C)c3ccc(F)cc3)C2)c1,4.46,4.691287517547607,0.13686809067411929,174,2
OADMET-0005969,Cc1oc2ccccc2c1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1,4.57,4.647720718383789,0.1177365657054946,2898,2
OADMET-0005968,CCc1nn(C)cc1NC(=O)C1CCN(c2ccccc2Cl)C1,3.85,3.9101047992706297,0.09763819829988703,97,0
OADMET-0005967,O=S1(=O)CCC2(CCCN(Cc3cnc(-c4ccccc4)o3)C2)C1,5.2,4.13171010017395,0.15103725560207398,136,3
OADMET-0005966,CC(Nc1cccc(NC(=O)CO)c1)c1nc(-c2ccccc2)no1,4.34,4.998008155822754,0.07504273533069608,762,4
OADMET-0005965,Cn1nnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,5.07,4.626834774017334,0.15106730407158467,2897,3
OADMET-0005964,CC(c1nnnn1C)N1CCOC(c2ccc(Cl)c(Cl)c2)C1,5.22,4.361290359497071,0.13592729667987216,2896,4
OADMET-0005963,COc1ncc(C(=O)N2CCC2c2cccc(F)c2)cc1Cl,5.0,5.250477886199951,0.06717406111152177,170,1
OADMET-0005962,Brc1ccc(C2(CNC(c3cccnc3)c3ncc[nH]3)CCOCC2)cc1,4.51,4.008521699905396,0.18276346934614157,2895,0
OADMET-0005961,COC(=O)c1cnc(NC2CCCCCN(C(=O)C3CCC3(F)F)C2)nc1,4.61,3.77207989692688,0.1436352367289793,2894,1
OADMET-0005960,Cc1ccnc2nc(C(=O)N(Cc3ccco3)C3CCCC3)nn12,4.42,4.927216053009033,0.1553569704322961,2893,2
OADMET-0005959,Cc1c(C(=O)N2CCCCC2CNC(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1,4.53,4.577250385284424,0.09740072816133252,2892,3
OADMET-0005958,Cc1cc(NC(=O)C2(C)CCCO2)n(-c2cccc(Br)c2)n1,5.09,5.488099002838135,0.09991698294994476,2891,4
OADMET-0005957,O=C(CCc1ccccc1)N1CCCN(C(=O)C2COc3ccccc32)CC1,5.31,5.351002883911133,0.0831187264400786,2890,0
OADMET-0005956,COc1cc(C)ccc1NC(=O)c1cccc(-c2ncn[nH]2)c1,4.45,4.132420063018799,0.12926538740090746,23,3
OADMET-0005955,CC(C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccccc2)CC1,4.87,4.1423567771911625,0.1468666210269847,2889,1
OADMET-0005954,COc1cccc(C2CN(C(=O)CNC(=O)c3ccc(C)c(C)c3)CCO2)c1,4.91,4.771749973297119,0.11742371486360968,102,2
OADMET-0005953,COCCOC1CC(CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1,5.52,4.84137544631958,0.15227073550270592,671,0
OADMET-0005952,O=C(Nc1ccc(C2CC2)nn1)NC1(c2cccc(OC(F)(F)F)c2)CC1,5.03,5.108875274658203,0.12963765138453265,2888,2
OADMET-0005951,CCOC1CC(NC(=O)c2ccnc(-n3cccn3)c2)C12CCCC2,4.8,4.798603916168213,0.09671626439749388,2887,3
OADMET-0005950,COCCNc1ccc(CNC(=O)N2CCCC3(CCCC3)CC2)cc1,4.83,4.644204425811767,0.07814877993254024,2886,4
OADMET-0005949,Cn1cccc1C1CCCCN1C(=O)CCN1C(=O)COc2ccccc21,5.28,5.305758857727051,0.06406682428702087,40,1
OADMET-0005948,COc1ccc(C)cc1S(=O)(=O)N1CC(O)CC1c1ccc(F)cc1,5.04,5.571772861480713,0.10360522780563858,679,4
OADMET-0005947,c1cnc2c(c1)CCC[C@H]2n1cc(COC2CCCCO2)nn1,5.18,4.739850902557373,0.1665078222087382,761,3
OADMET-0005946,Fc1cccc(Cl)c1CCc1noc(C2(n3cccn3)CC2)n1,5.06,5.273084735870361,0.04663882941317109,2885,4
OADMET-0005945,CCOc1ccccc1C(F)(F)C(=O)N1CCC(NC(=O)C2CC2)CC1,5.26,4.6205549240112305,0.11867250088325364,2884,1
OADMET-0005944,O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc2c(c1)OCCO2,5.24,4.161992788314819,0.15595314176110642,2883,1
OADMET-0005943,Cc1c(C(=O)N2CCCN3c4ccccc4CC3C2)c(O)nc2ccccc12,5.0,5.352618312835693,0.11645214170107929,2882,0
OADMET-0005942,CC1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1C(=O)O,4.41,5.002205657958984,0.19187159437270676,169,0
OADMET-0005941,Cn1nc(CNC[C@@H](O)c2ccc(Cl)cc2)c2ccccc21,5.07,4.7374265670776365,0.14303815594286898,525,2
OADMET-0005940,CC(C)c1nc(C(=O)N2CCC=C(F)C2)nn1-c1ccccc1F,5.22,5.03159761428833,0.13656818789206346,754,1
OADMET-0005939,Cn1ncc(NC(=O)N2CCCC(C)(F)C2)c1-c1ccccc1,4.44,5.264564895629883,0.11802237479646714,2881,0
OADMET-0005938,O=C(NCC1CCOc2ccccc21)N1CCOC(c2ccccc2F)C1,4.82,5.117507553100586,0.13408780316733962,290,2
OADMET-0005937,COC1CCCN(C(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC1,4.89,4.69036750793457,0.139149318005769,760,2
OADMET-0005936,COc1cc(C#N)ccc1OCC(=O)N1CCCC1C1CCCC1O,4.97,4.988581943511963,0.12478457637863812,2880,1
OADMET-0005935,CC(c1cc2ccccc2o1)N(C)C(=O)c1cn(C)nc1C(C)(C)C,4.49,5.317115688323975,0.1377378170029302,2879,2
OADMET-0005934,CN(Cc1ccoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,5.25,5.027231311798095,0.13278402376711326,2878,3
OADMET-0005933,CC(NC(=O)N1CCC(C)C1CO)c1ccc(F)cc1Cl,5.18,5.8827825546264645,0.13026587115556526,2877,4
OADMET-0005932,O=C(NCC(Cc1ccccc1)Cc1ccccc1)N1CCC(O)C(F)(F)C1,4.94,4.988307762145996,0.0948117494377098,756,4
OADMET-0005931,Cc1ccccc1C1(C(=O)N2CCCC(O)(c3c[nH]nn3)C2)CCCC1,5.21,5.102741050720215,0.12593522913820002,2876,0
OADMET-0005930,Cc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)nn1-c1ccc(Cl)cc1Cl,5.19,5.328511333465576,0.1001281241094641,2875,1
OADMET-0005929,O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CCC2CCCC21,5.38,5.040842342376709,0.13438696938066444,2874,2
OADMET-0005928,CC(O)C(C)(CNC(=O)C1CCCN1C)Cc1ccccc1,4.44,4.4466965675354,0.16583833955904706,2873,3
OADMET-0005927,COc1ccc(CCCNC(=O)N2C(C)CCC2C)cc1OC,4.63,5.321514987945557,0.14409966754042586,26,0
OADMET-0005926,Cn1nnc2cc(C(=O)N(CC3CCCCC3)c3ccccn3)cnc21,5.25,5.047697734832764,0.07009567269597916,723,2
OADMET-0005925,Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCN(C(=O)C2CC2)CC1,4.02,5.106317615509033,0.10072387580659538,62,4
OADMET-0005924,COc1cc(C(=O)N(Cc2ccccc2)C2CC(C)(C)OC2(C)C)on1,4.48,4.637097358703613,0.14932864840013885,759,3
OADMET-0005923,COc1cccc(CNC(=O)c2cccn(Cc3ccccc3)c2=O)n1,5.53,4.906582450866699,0.04567992350518996,2872,4
OADMET-0005922,CCc1cc(NC(=O)c2coc3ccc(OC)cc23)n(C)n1,4.26,4.035759449005127,0.08671741404974229,2871,0
OADMET-0005921,CC(O)(Cn1ccccc1=O)C(=O)N1CCc2ccc(Cl)cc2C1,4.6,4.2568662643432615,0.16919509337089325,2870,1
OADMET-0005920,COC(C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CC1,5.41,4.632120609283447,0.12051583051964497,2869,2
OADMET-0005919,Cc1sc2ncn(NC(=O)COc3ccc(C(N)=O)cc3)c(=O)c2c1-c1ccccc1,4.54,3.8970785617828367,0.16246457388429295,2868,3
OADMET-0005918,Cc1cccc(NC(=O)C2CCCN(c3nc4ccccc4s3)C2)n1,4.77,4.945118618011475,0.051600107446364854,401,0
OADMET-0005917,Cc1cccc(C(=O)N2CCCN(C(=O)c3nn(C)c(C)c3Cl)CC2)c1,4.67,5.167877864837647,0.06516326810930678,2867,4
OADMET-0005916,CC(C)Cn1cnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1,4.64,5.137702178955078,0.1944701683476973,561,3
OADMET-0005915,COC1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)C(C)C1,4.67,5.367811775207519,0.1799246146035633,2866,0
OADMET-0005914,Cc1c(N2CCC(C3CC3)C2)ncnc1N1CCC(C2CC2)C1,3.92,4.8794208526611325,0.09749412469333088,2865,1
OADMET-0005913,Cc1cccc(C2CCCN2C(=O)NCc2ccsc2)n1,4.48,5.244023323059082,0.09901040605669165,148,2
OADMET-0005912,CS(=O)(=O)c1cccc(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)c1,5.1,4.712230777740478,0.1428391844696716,2864,2
OADMET-0005911,O=S(=O)(NC1CC(O)C12CCC2)c1ccc2c(c1)CCCC2,5.23,5.515801334381104,0.11822480154795839,2863,3
OADMET-0005910,O=C(Cc1ccccc1)NCCC(=O)N1CCCC1CC(O)c1ccccc1,4.57,4.949529838562012,0.10207283728342532,173,4
OADMET-0005909,COC(=O)C1CCn2c(CCCOc3ccc(Cl)cc3C)nnc2C1,4.77,4.40331802368164,0.08957989939033152,2862,4
OADMET-0005908,Cc1ccc2oc(C(=O)N(C)C3CCCCC3S(C)(=O)=O)cc2n1,4.87,4.351069450378418,0.07230515962050321,2861,3
OADMET-0005907,CC(C)Oc1cncc(C(=O)N2CC(C)OCC2c2ccccc2)c1,4.83,4.791020202636719,0.11919576392865236,2860,2
OADMET-0005906,COc1ccc(Cl)c(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1,4.89,5.138809013366699,0.1048545507025978,2859,1
OADMET-0005905,Cc1noc(C)c1CC(=O)N(Cc1ccccc1)C1CC(C)(C)OC1(C)C,4.67,4.837599658966065,0.14685855957249574,759,3
OADMET-0005904,CN1CCN(C(=O)CCc2nc3ccccc3o2)C(c2ccccc2)C1,4.39,4.424229526519776,0.07221088270866442,758,1
OADMET-0005903,COc1ccc2c(c1)N(C(=O)c1ccnc(C3CC3)c1)CCO2,4.38,4.55969467163086,0.13647835606807546,2858,1
OADMET-0005902,CC(=O)Nc1cccc(OCCNC2[C@H]3CCC[C@H]3C2(C)C)c1,4.73,4.999738025665283,0.1347273501166402,751,3
OADMET-0005901,CC(C)n1ccc(CN2CCCNC(=O)C2Cc2ccccc2)n1,4.26,4.954715919494629,0.17019427645194765,101,1
OADMET-0005900,COc1cccc2c(N3CCOC(CN(C)C)C3)nccc12,4.45,4.263848114013672,0.14803874418720356,2857,2
OADMET-0005899,O=C(NCc1cccc(N2CCOCC2)n1)c1csc2c1CCCC2,4.59,5.292433547973633,0.0792314462451836,702,1
OADMET-0005898,CC(C)Cn1cc(NC(=O)N2CC[C@H](Oc3ccccc3)C2)cn1,4.15,4.878677940368652,0.15580327340076305,258,3
OADMET-0005897,CC1Oc2ccccc2OC1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1,4.75,5.0078761100769045,0.1625701753417261,332,2
OADMET-0005896,Cc1cccc(C2CCCN2C(=O)CCc2cnn(C)c2)c1C,4.86,5.125411128997802,0.066642862643174,209,4
OADMET-0005895,CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCC2,5.25,5.20534315109253,0.18271323500233558,2856,3
OADMET-0005894,CC(NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccc(F)cc2)C1,4.71,4.113590049743652,0.12533641905311255,105,2
OADMET-0005893,Cc1oc(C#N)cc1C(=O)N1CCN(CC(F)(F)F)CC(C)C1,5.01,5.2767058372497555,0.05877257799002386,2855,4
OADMET-0005892,CC(C)N(C(=O)c1ccnn1C(C)C)c1ccc(Br)cn1,5.1,5.108889770507813,0.06879527212070023,2854,0
OADMET-0005891,CN(C(=O)c1noc2c1CCCCC2)c1ccc(-c2ccccc2)nn1,5.11,5.165948581695557,0.11519162947712405,2853,1
OADMET-0005890,COc1ccc(NC(=O)C2CCCN2C(=O)CCc2ccco2)cc1,4.09,4.168799781799317,0.08528843122654321,580,0
OADMET-0005889,Cn1cnc2c(c1=O)CCN(C(=O)NC1CCCc3c(F)cc(Cl)cc31)C2,4.76,4.906741619110107,0.07564173542398289,2852,2
OADMET-0005888,CC1(C)CC(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccc(F)cc2O1,4.98,5.3947288513183596,0.11856844246345088,74,3
OADMET-0005887,CCC(CC)n1nc(C)cc1-c1nc(C(C)(C)NC(C)=O)no1,5.02,4.850907802581787,0.1387526606033877,690,4
OADMET-0005886,O=C(Cn1nnc(C2CC2)n1)N1CCCc2ccccc21,4.58,5.435491466522217,0.128639215875878,603,2
OADMET-0005885,COc1ccc(Cl)cc1N1CCC(NC(=O)NCC2C(C)(C)C2(F)F)C1,5.17,4.399441337585449,0.1689003469789593,738,3
OADMET-0005884,CC1C(c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1,5.04,5.415144157409668,0.13805714858014387,172,0
OADMET-0005883,Cc1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1,4.56,4.24613618850708,0.16990945470841937,2851,3
OADMET-0005882,N#Cc1ccc(OCc2noc(C3CCCCC3)n2)c(Cl)c1,4.07,4.600094795227051,0.08523982908991555,2850,4
OADMET-0005881,CCOc1ccc(CNC(=O)N2CCOC[C@@H]2CC(C)C)cc1F,4.68,4.755160903930664,0.13142786469347928,2849,0
OADMET-0005880,O=C(NC1CCOC(c2cccnc2)C1)N1CCCc2ccccc2CC1,5.19,4.859890460968018,0.09020667288443746,326,4
OADMET-0005879,Cc1cc(-c2noc(-c3noc4c3CCCC4)n2)c(C)o1,4.22,4.874850940704346,0.014739885711768272,2848,0
OADMET-0005878,Cc1nc(C2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)no1,4.99,5.164173984527588,0.14442780802397365,718,3
OADMET-0005877,CCOC1(C)CCN(C(=O)N(C)Cc2ccccc2)CC1,4.44,5.343657398223877,0.10946941457792596,684,2
OADMET-0005876,CCC(C)S(=O)(=O)NC(=O)c1csc(C2CCCCC2)n1,4.72,4.348012542724609,0.04251119340284271,2847,2
OADMET-0005875,O=C(Cc1ccccc1O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1,4.95,4.571034908294678,0.13794067066614502,104,1
OADMET-0005874,CS(=O)(=O)CC1CCCCN1C(=O)c1csc2c1CCCC2,5.65,5.552880573272705,0.1277551741005629,2846,3
OADMET-0005873,CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2SCCc3ccccc32)C1,4.38,3.486989212036133,0.07426342184865599,250,0
OADMET-0005872,CC(Oc1ccc(F)cc1)c1nnc2n1CC(C)(C)CC2,5.48,5.432499790191651,0.06249851923879142,735,0
OADMET-0005871,CC(C)(C)c1nc(CC(=O)NC2c3ccccc3CC2O)cs1,5.37,5.8768363952636715,0.13848752399688732,41,4
OADMET-0005870,O=C(CC(=O)N1CCCC1CCc1ccccc1)NCC(F)(F)F,4.88,5.204364013671875,0.08600526396477345,173,4
OADMET-0005869,Cn1nnc(CNC(=O)N2Cc3ccccc3CC2c2ccccc2)n1,4.47,4.761490154266357,0.09318874740066606,2845,4
OADMET-0005868,COc1ccc(CNC(=O)C2CCCN2C(=O)c2ccccc2O)cc1Cl,4.43,4.137861824035644,0.07948763214822743,167,2
OADMET-0005867,CN(C)c1ccc(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1,4.47,3.817457389831543,0.14079325675538043,2844,0
OADMET-0005866,O=C(Cc1cccc(C(F)(F)F)n1)Nc1cncc2c1CCCC2,4.48,4.911577606201172,0.07862319739503691,2843,1
OADMET-0005865,COC(Cc1ccccc1)CS(=O)(=O)N1CC(C)CC1c1cccnc1,5.2,5.250908470153808,0.100699120587009,2842,2
OADMET-0005864,Cc1noc(Cl)c1CCC(=O)N1CCCCC1CC(C)O,4.77,5.2462433815002445,0.14918899237123515,2841,3
OADMET-0005863,CCc1nc(N2CCN(c3ccccn3)CC2)sc1C(=O)OC,4.69,4.38882417678833,0.07937119537670444,2840,4
OADMET-0005862,CC1(c2ccccc2C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1,4.89,4.713697242736816,0.10262461703314456,2839,0
OADMET-0005861,CNC(=O)C1CN(C(=O)C2CCc3cc(C)ccc3O2)c2ccccc2O1,4.63,4.541047477722168,0.1975309787011101,426,2
OADMET-0005860,CC(c1ccsc1)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1,4.36,4.84180269241333,0.10359523329658046,2838,4
OADMET-0005859,O=C(c1cccc(NCc2cc(O)cc(Cl)c2)c1)N1CCOCC1,4.4,3.914597225189209,0.0700911936297995,2837,0
OADMET-0005858,Cn1cc(C(NC(=O)c2cccc3c2OCC3)C(C)(C)C)cn1,5.29,5.640093898773193,0.1406397839323411,158,4
OADMET-0005857,Cc1nc(C2CCCN2CC(=O)N2CCCCC2C)cs1,5.06,5.640431118011475,0.11946190871939617,283,0
OADMET-0005856,COc1ccc2c(c1)C1(CC1)CN(C(=O)Cn1ncc3ccccc3c1=O)C2,5.04,5.181073570251465,0.11856305523499845,740,2
OADMET-0005855,Cc1cccc2c(CC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c[nH]c12,4.48,4.204283905029297,0.08256865422547285,259,3
OADMET-0005854,CCOC1CC(O)(CNC(=O)c2ccc(C)c(OC)c2)C1(C)C,3.96,5.070912647247314,0.10861953826474913,331,1
OADMET-0005853,O=C(NCc1nc(=O)o[nH]1)c1ccc(N2CCCCCC2)cc1,4.06,3.190749931335449,0.11413298953585088,2836,1
OADMET-0005852,COC(=O)C1(N(C)S(=O)(=O)c2cccc(Cl)c2)CC(OC)C1,4.73,4.850051593780518,0.13050554205913031,2835,4
OADMET-0005851,CCc1c(NC(=O)c2cocn2)cnn1-c1ccccc1Cl,4.34,4.523761177062989,0.11971639471707544,2834,1
OADMET-0005850,CO[C@@H]1CCOC[C@H]1NC(=O)NCC1(c2ccc(F)cc2)CCC1,4.07,4.7879291534423825,0.19463805319589866,2833,2
OADMET-0005849,Cc1ccc(C(=O)NC2(c3ccccc3F)COC2)cn1,4.42,4.017945957183838,0.11489566958603516,253,4
OADMET-0005848,CSC(CO)C(C)NCC(O)Cn1c(-c2ccccc2)noc1=O,4.41,4.457932567596435,0.18795197919412773,2832,3
OADMET-0005847,O=C(c1cnn(-c2ccccc2)c1)N1CCC(Oc2ccccn2)C1,5.21,4.551998329162598,0.08017860496238141,143,4
OADMET-0005846,C[C@@H](NC(=O)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1,4.61,4.9050048828125,0.0915335491708939,249,1
OADMET-0005845,CN1CCN(C(=O)c2ccc(S(C)(=O)=O)nc2)c2cc(F)ccc21,4.84,4.434349536895752,0.11522543274520762,98,1
OADMET-0005844,C[C@H](NC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1cncc(F)c1,4.25,5.00761308670044,0.11068356549361032,2831,4
OADMET-0005843,O=C(c1ccc(-c2ccccc2)[nH]1)N(CC(F)F)CC(F)F,4.74,5.056272220611572,0.13157377807701237,2830,0
OADMET-0005842,COc1cnc(NC(=O)N2CCCS(=O)(=O)CC2C2CC2)s1,5.12,4.745101642608643,0.18062543099281997,2829,1
OADMET-0005841,COc1cc(F)c(C(=O)NCc2nnc(C(C)(C)C)s2)c(F)c1,4.87,4.631388092041016,0.11227617900749488,2828,2
OADMET-0005840,CC(C)(C)OC(=O)N1C2CCC1CC(CNc1ccc(C#N)nn1)C2,4.81,5.147898387908936,0.1439485562476584,688,1
OADMET-0005839,CC(=O)NC(Cc1nc(-c2ccc(F)c(F)c2)no1)c1c(F)cccc1F,5.06,5.313076019287109,0.18448695169837698,2827,3
OADMET-0005838,O=C(CN1CCN(C2CC2)C1=O)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1,5.23,4.902297878265381,0.07876460463063734,2826,4
OADMET-0005837,C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1cccc(O)c1,4.5,4.444190788269043,0.16169298394795142,248,2
OADMET-0005836,Cc1nnc(N(C)C(=O)c2c(Cl)cccc2OCC2CC2)s1,4.83,4.9660967826843265,0.11864196714646692,330,2
OADMET-0005835,O=C(NCc1cn2cc(Cl)cc(Cl)c2n1)c1cccc2nn[nH]c12,3.63,4.346380710601807,0.04151582930559453,734,1
OADMET-0005834,COC1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(C2CC2)C1,4.52,4.945111083984375,0.16285128440716123,2825,0
OADMET-0005833,O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1Cc1ccccc1,4.66,5.053148555755615,0.08032339147547597,2824,1
OADMET-0005832,O=C(c1cccc2oc(=O)[nH]c12)N1CCN(C2CC2)c2ccccc21,5.07,5.220051956176758,0.14096017542406272,20,2
OADMET-0005831,O=C(NCCCC(=O)N1CCc2ccccc21)c1cc(F)cc2[nH]nnc12,3.9,4.777180004119873,0.11301686315062923,2823,2
OADMET-0005830,COC1(c2noc(CCc3ccccc3C)n2)CCOCC1,3.93,4.570116710662842,0.07263453508531358,2822,3
OADMET-0005829,CC1(C)CCCN1C(=O)Cn1cc(-c2ccc(Cl)s2)nn1,5.38,5.722156047821045,0.07303489219837964,2821,4
OADMET-0005828,CC(NC(=O)N(C)Cc1ccon1)c1cc(F)ccc1N(C)C,4.67,4.9007689476013185,0.08297979541720456,601,3
OADMET-0005827,O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)C(=O)NCC2,4.69,4.191256999969482,0.08066163211590442,2820,0
OADMET-0005826,OC1(C(F)(F)F)CCN(c2cc(N3CCCCC3)ncn2)C1,5.19,3.8742093563079836,0.1789559709860067,329,3
OADMET-0005825,CC(NC(=O)N1CCOCC1C1CCCO1)c1cccc(F)c1F,4.41,5.283877182006836,0.11665081459438814,2819,1
OADMET-0005824,Cc1c(C(=O)NCc2cccc3c2OCC3)nnn1-c1ccn(C)n1,4.44,4.855738830566406,0.11655736986309696,757,0
OADMET-0005823,CC(C)c1cc(C(=O)NC(C)c2nnnn2-c2ccccc2)c2cnn(C(C)C)c2n1,5.63,5.182015514373779,0.08988011828354789,2818,2
OADMET-0005822,CC(C)(C)OC(=O)NC1(CCNC2C(=O)NCC2(C)C)CCC1,4.65,4.722976589202881,0.20876186247003642,2817,3
OADMET-0005821,Cc1nn(CC(F)F)cc1-c1nc(C2CCc3ccccc32)no1,5.23,4.7886505126953125,0.08080785266806824,2816,4
OADMET-0005820,Cn1ccc(-c2cn(CC(O)c3ccc(Cl)cc3Cl)nn2)n1,4.47,4.266132259368897,0.035414145767535384,2815,0
OADMET-0005819,Cc1ccc(-c2noc(C3(C)CCC(=O)NC3)n2)cc1Cl,4.99,4.362464046478271,0.0909465145283205,705,0
OADMET-0005818,CCCN(C(=O)c1cc(C)cc(O)n1)C1CCc2ccccc2C1,4.92,5.445040225982666,0.16471001411273506,2814,3
OADMET-0005817,O=C1CS(=O)(=O)c2cc(NC(=O)c3ccsc3Br)ccc2N1,4.66,3.6480751991271974,0.1853214251732257,2813,2
OADMET-0005816,O=C(CC1CCCN1)Nc1ccccc1-c1nc2ccccc2[nH]1,4.4,4.268161010742188,0.16290459002117802,2812,2
OADMET-0005815,O=C(C(c1ccccc1)n1cc(-c2cncnc2)nn1)N1CCCCC1,4.9,4.981601524353027,0.10478332101601223,2811,3
OADMET-0005814,O=S1(=O)CCCC1c1nc(C2(c3ccc(F)cc3)CCC2)no1,4.58,5.087960624694825,0.11027442408279338,334,0
OADMET-0005813,Cc1ccc(C2(c3noc(Cn4cc(C)cn4)n3)CCOCC2)cc1,4.13,4.648735237121582,0.1289664795956201,328,2
OADMET-0005812,CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1CC12CCCC2,4.69,4.954430484771729,0.06319840615168433,291,4
OADMET-0005811,CCC1(c2ccc(Cl)cc2)NC(=O)N(c2cncc(Br)c2C)C1=O,5.22,5.38576831817627,0.048341307941323776,2810,4
OADMET-0005810,CO[C@H]1C[C@H](c2nnc(C)o2)N(CC2CCc3ccccc3C2)C1,4.75,4.218375110626221,0.08187090393427225,327,0
OADMET-0005809,CN1CCC(OCc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)CC1,5.62,3.7124452114105226,0.07870641563421053,2809,0
OADMET-0005808,Cc1cn(C2CCCCC2)nc1NC(=O)NCc1ccccc1CC(F)(F)F,5.32,5.2177105903625485,0.11818488002156516,699,3
OADMET-0005807,CC(=O)N1CCCCCC1C1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1,5.56,4.327462100982666,0.09426701113849938,745,0
OADMET-0005806,CC1(C)CCOC1CS(=O)(=O)N1CCCC(c2ccn[nH]2)C1,5.22,5.33457498550415,0.1263872176545808,2808,1
OADMET-0005805,CC(=O)Nc1nc(C(=O)N2CC(C)(C)c3ccc(F)cc32)cs1,4.91,5.746621608734131,0.03963391852012389,2807,2
OADMET-0005804,CC(C)C(CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccccc1,5.57,4.948078536987305,0.040623368578667586,756,4
OADMET-0005803,CCC(c1ccccc1)c1nnc(NC(=O)N2CCc3ncncc3C2)s1,5.15,4.018173885345459,0.08655640641052278,275,0
OADMET-0005802,CCn1c(C2CCCN2C(=O)c2cnn(C(C)C)c2)nc2ccccc21,4.53,4.995714473724365,0.1418119932379722,585,3
OADMET-0005801,O=C(N1CC(S(=O)(=O)NC2CCCC2)C1)C1(C(F)(F)F)CCOCC1,4.5,3.7281307697296144,0.15051047949128424,2806,3
OADMET-0005800,O=S(=O)(N1CCc2ccccc2C1)N(Cc1cccc(O)c1)CC1CC1,5.05,4.996427822113037,0.09345529286292703,602,0
OADMET-0005799,COc1ccc(CC(=O)NCC2CCC3(CCOCC3)CO2)c(C)c1,3.56,4.0758827209472654,0.08180864694977373,2805,4
OADMET-0005798,Cc1c(NC(=O)CC(C2CCC2)C2CCC2)ccc(F)c1N1C(=O)CNC1=O,4.82,4.663838005065918,0.12045122913659603,2804,0
OADMET-0005797,CC(NC(=O)c1nc2cccnc2s1)(C1CC1)C(F)(F)F,4.85,4.141147041320801,0.09311071498409655,692,2
OADMET-0005796,CN(c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(C)(=O)=O,4.63,4.187399196624756,0.14418322869633302,2803,1
OADMET-0005795,CC(C)c1ocnc1C(=O)N(C)CCN(C)C(=O)C1CCC(C(F)(F)F)C1,4.68,5.0167745590209964,0.08332520321932732,2802,2
OADMET-0005794,CCN(c1cccnc1)S(=O)(=O)c1cccc(OC)c1OC,4.71,5.048796844482422,0.10709616133706928,2801,3
OADMET-0005793,NC(=O)CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(O)c2)CCCCC1,4.25,5.188241958618164,0.06182264181442843,2800,4
OADMET-0005792,CC1CN(CC(C)(C)O)CCN1C(=O)NCCCc1ccc(Cl)cc1,4.58,3.544592809677124,0.2397187275786474,2799,0
OADMET-0005791,Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCOCC12CCOC2,4.63,5.157509803771973,0.10236145164697555,2798,1
OADMET-0005790,COc1cc(C(=O)N[C@H](C)c2oc3ccccc3c2C)cc(Cl)c1O,4.57,4.510422134399414,0.07743866142167494,755,0
OADMET-0005789,COC1CCC(CC(=O)N(C)CC(C)(O)c2ccccc2)CC1,4.36,4.218750381469727,0.12625746313774908,2797,2
OADMET-0005788,O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CC(O)(C2CC2)C1,6.23,4.0991579532623295,0.17352454306997875,2796,3
OADMET-0005787,O=C(Cn1nnnc1-c1ccccc1)N[C@]1(c2ccccc2)C[C@H](O)C1,4.67,4.5461935043334964,0.07050555707024389,2795,4
OADMET-0005786,CC(CNS(=O)(=O)c1cnn(-c2ccccc2)c1)N1CCCCC1=O,5.05,5.490685653686524,0.13509735889775784,752,2
OADMET-0005785,CC(NC(=O)N1CCC[C@H]1CN1CCOCC1)c1nc(Cc2ccccc2)no1,4.57,4.260439157485962,0.20390050284383707,103,3
OADMET-0005784,O=C(Nc1cccnc1N1CCOCC1)N1CCCc2ccccc2CC1,4.84,5.0504073143005375,0.0897135255046478,326,4
OADMET-0005783,CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccccc2)n1,5.22,4.685693740844727,0.05491761631143214,2794,0
OADMET-0005782,Cn1ncc(C(=O)Nc2cccc3cc[nH]c23)c1-n1cccc1,4.83,4.515625381469727,0.15286412485992198,2793,1
OADMET-0005781,CC1CN(CC(=O)N(CC(F)(F)F)C(C)C)c2ccccc2NC1=O,4.85,5.160124588012695,0.1301915621005702,2792,3
OADMET-0005780,CN(Cc1nc(-c2c(F)cccc2F)cs1)CC1(O)CCC1,4.03,4.62542724609375,0.10032694666248063,2791,2
OADMET-0005779,COc1ncc(Br)cc1S(=O)(=O)N1CCC(Oc2ccccn2)C1,5.11,5.088288116455078,0.03870114313283774,2790,4
OADMET-0005778,CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC=C(F)C3)n2)cc1,4.53,4.663606739044189,0.17538285623641714,754,1
OADMET-0005777,CCOc1ccccc1CN(C)S(=O)(=O)CC1CCCO1,4.72,4.678595733642578,0.08752548826523936,2789,3
OADMET-0005776,CC1(NC(=O)[C@@H]2CCCO2)CCN(C(=O)c2cc(F)cc3cc[nH]c23)C1,4.99,4.99896011352539,0.0733811206061268,2788,4
OADMET-0005775,O=C(OCc1ccccc1)N1CCN(C(=O)c2cncc3nc(C(F)(F)F)[nH]c23)CC1,4.78,3.66795129776001,0.144766988203783,2787,0
OADMET-0005774,CC(c1cccnc1)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1,5.05,5.306935882568359,0.1504953284267288,2786,1
OADMET-0005773,CC(C)(C)c1cc(C(=O)N2CCC(O)(C(F)F)CC2)no1,4.38,4.906173229217529,0.16107402034645454,2785,2
OADMET-0005772,Cc1cc2ccccc2n1CC(=O)N1CCCC1C(C)(C)O,4.78,4.837995624542236,0.12361196179627541,283,0
OADMET-0005771,COc1c(C(=O)N2CCN(C3CC3)c3ccccc32)cnc2c1cnn2C,5.46,5.185663509368896,0.10115543252305509,20,2
OADMET-0005770,COc1ccc(C(NC(=O)c2cnn3cccnc23)C2CC2)cn1,4.85,4.290342044830322,0.09141901860631792,100,2
OADMET-0005769,CC(C(=O)Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1,4.78,4.7160420417785645,0.12505020682486526,2784,3
OADMET-0005768,O=C(NCC1(C2(O)CCC2)CC1)c1ncc(C(F)(F)F)cc1Cl,4.86,4.998794460296631,0.1409127615469876,2783,4
OADMET-0005767,Cc1ccc(C(=O)N(C)Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1,4.28,4.83093900680542,0.04171547829248881,2782,0
OADMET-0005766,CC(C)(NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccs1,4.75,3.905212068557739,0.08500313576143366,2781,1
OADMET-0005765,NC(=O)CC1CCCN(C(=O)NC2CCCc3sccc32)C1,4.16,4.320942497253418,0.08064424182082355,2780,2
OADMET-0005764,C[C@@H](NC(=O)N(C)C1Cc2ccccc2C1)c1cccc(O)c1,4.65,5.583601474761963,0.10516273411594705,753,4
OADMET-0005763,CC(C)Cn1ccnc1NC(=O)c1cc2cccn2cn1,4.21,3.881448221206665,0.1604470930151557,2779,3
OADMET-0005762,O=C(c1ncoc1-c1ccon1)N1CCOc2c(Br)cccc2C1,4.79,4.083232450485229,0.10701628867729686,2778,4
OADMET-0005761,O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCCC(O)(C(F)(F)F)C1,4.4,4.914596366882324,0.13916768662112114,2777,0
OADMET-0005760,CC(O)CC1CCCN1C(=O)C1CCN(c2ccccc2F)C1,5.24,4.718803405761719,0.1552114381872838,2776,1
OADMET-0005759,CC(NC(=O)NC1CC(=O)N(C2CC2)C1)c1cccc2ccccc12,4.14,5.1520545959472654,0.11796574307965929,2775,2
OADMET-0005758,COCc1noc(CN2CCc3c(Br)cc(C)cc3C2)n1,4.29,4.581265068054199,0.10945414825944509,2774,3
OADMET-0005757,Cn1nccc1C1CCCN1CC(=O)Nc1cc(F)ccc1F,4.52,4.640418434143067,0.17414236206393557,523,1
OADMET-0005756,CCc1cnc(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)s1,4.54,5.503720378875732,0.14334366910275603,752,2
OADMET-0005755,O=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC3(C2)Oc2ccccc2O3)C1,4.69,4.4816056251525875,0.07507694798841498,2773,4
OADMET-0005754,O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)Nc1cc[nH]n1,4.6,4.354050254821777,0.08734499683463437,2772,0
OADMET-0005753,C[C@@H]1COC[C@@](CO)(CNC(=O)c2c(Cl)ccc3ccoc23)N1C,4.29,3.9383029460906984,0.14427796599795353,164,0
OADMET-0005752,CC[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1C(F)(F)F,4.62,4.904644775390625,0.12001923788568272,139,3
OADMET-0005751,O=C(CC(C1CCC1)C1CCC1)N1CCC(c2cnccn2)C1,4.28,4.978228282928467,0.10705611999653797,2771,1
OADMET-0005750,O=C(c1ccncc1F)N1CCN(C2CC2)c2ccccc21,4.44,4.82605562210083,0.1532875445058866,20,2
OADMET-0005749,COCCC1(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,4.3,4.78007926940918,0.14769347305189565,2770,2
OADMET-0005748,CO[C@@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)N(C(=O)OCc2ccccc2)C1,4.74,4.14551944732666,0.10803172932164543,2769,3
OADMET-0005747,CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCCC(C)(C)O)CC1,5.58,3.8886542320251465,0.13315573218157312,2768,2
OADMET-0005746,Cc1ccc(Br)cc1Cc1noc(CN2CCCCC(O)C2=O)n1,5.46,4.416451454162598,0.15384662337816551,2767,1
OADMET-0005745,Nc1nccnc1C(=O)N1CCCC1c1ccccc1C(F)(F)F,4.82,4.946742534637451,0.17367479477519338,2766,0
OADMET-0005744,Cc1ccc(C2(C)NC(=O)N(Cc3cnns3)C2=O)cc1C,4.78,4.9592719078063965,0.07362781163153524,2765,0
OADMET-0005743,O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(-c2ccco2)nn1-c1ccccc1,4.61,4.4214174270629885,0.07465741192555138,2764,1
OADMET-0005742,CC#CCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,4.06,3.5530487060546876,0.1702705984574551,2763,2
OADMET-0005741,N#Cc1ccc(O)c(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)c1,4.59,4.576618003845215,0.06563098034167675,2762,3
OADMET-0005740,C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2,4.81,4.5844879150390625,0.12138569673365791,303,2
OADMET-0005739,CC(NC(=O)C1CCCN1C(=O)c1ccc2ccccc2c1O)c1cnn(C)c1,4.46,4.689297199249268,0.09705705414902624,282,4
OADMET-0005738,Cc1ccc(S(=O)(=O)NC(=O)C2CC23CCc2ccccc23)c(C)c1,4.3,5.288109588623047,0.03192045773977644,505,4
OADMET-0005737,C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1,4.67,4.7229358673095705,0.13483335021554155,2761,4
OADMET-0005736,Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1,5.46,4.012213039398193,0.14503468831037492,2760,0
OADMET-0005735,CC(C)C(NC(=O)CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1ccc2c(c1)OCCO2,5.09,4.657630729675293,0.09405643870207372,2759,1
OADMET-0005734,Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,4.85,4.598856449127197,0.1082338371344449,677,0
OADMET-0005733,COc1ccc(CNc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c(Cl)c1,5.22,4.264418983459473,0.10743434897266665,2758,2
OADMET-0005732,CNC(=O)c1ccc(C(=O)N2CCC(C)C2c2cccc(F)c2)cn1,5.12,4.973111343383789,0.11256189779427178,170,1
OADMET-0005731,CNc1nc(C)cc(C(=O)N2CCN(C)c3ccc(F)cc32)n1,5.11,4.694278049468994,0.124368000076845,98,1
OADMET-0005730,Cn1cnc2ccc(C(=O)Nc3cccc(CSc4ccccn4)c3)nc21,4.59,4.49513349533081,0.1503770798638627,2757,3
OADMET-0005729,O=c1c2ccccc2ncn1CC1CCCC(C(F)(F)F)O1,4.23,4.27692756652832,0.02709367987879951,2756,4
OADMET-0005728,C[C@H](C(=O)N1CCCCc2cccnc21)N1Cc2ccccc2C1=O,4.9,5.085594940185547,0.10204914332946882,708,2
OADMET-0005727,CC(CS(=O)(=O)N1CCc2cnccc21)c1ccccc1,5.12,5.131772518157959,0.0577636154842172,2755,4
OADMET-0005726,CC1(C)C(NCCNS(=O)(=O)c2ccccc2)[C@H]2CCC[C@H]21,4.83,5.3317900657653805,0.1805626321690741,751,3
OADMET-0005725,N#Cc1c(N2CCOC3(CCCCCC3)C2)nc2ccccn12,4.8,5.010649394989014,0.1458719819855171,2754,1
OADMET-0005724,NC(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)s1,4.84,4.904422855377197,0.1380587654847918,2753,2
OADMET-0005723,CCc1c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cnn1-c1ccccn1,4.17,4.306723880767822,0.14258961620929347,2752,3
OADMET-0005722,Cc1ccc(Cn2nccc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1,4.2,4.473663997650147,0.08210744883403381,2751,4
OADMET-0005721,Cc1ccc(-n2cnnc2SCC(=O)N2CCc3ccccc32)cc1Cl,5.02,5.148131370544434,0.024317601779596954,2750,0
OADMET-0005720,CCCc1cc(=O)n2nc(NCC(c3ccc(Cl)cc3)n3cccn3)sc2n1,5.0,5.107226943969726,0.0669844742542988,2749,1
OADMET-0005719,COC(=O)c1cc(Cl)cc(C)c1NC(=O)C1CCCCO1,4.86,4.788577461242676,0.08667605909099899,2748,2
OADMET-0005718,Cc1ccccc1OCc1nnc(SCc2nccc(N)n2)n1-c1ccccc1,4.73,5.066856479644775,0.12202871782092707,2747,3
OADMET-0005717,Cc1nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2cc1O,4.33,3.4123499393463135,0.07087915469322939,2746,4
OADMET-0005716,CCN1CCCC1CN(Cc1ccc(O)cc1)C(=O)c1nccc2ccsc12,4.51,4.860807704925537,0.12469656901093175,2745,3
OADMET-0005715,Cn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1,4.82,4.531833457946777,0.12725827483271546,172,0
OADMET-0005714,CC(Nc1cccc2c1OCCO2)C(=O)N(C)c1ccccc1,4.96,5.610573387145996,0.07596355185886026,2744,4
OADMET-0005713,c1cn2ccnc2c(N2CCCCC3(CCCCC3)C2)n1,4.39,5.3049603462219235,0.13305951203868785,2743,0
OADMET-0005712,O=C(NCC1(c2ccccc2)CCCO1)c1nnc(-c2ccccc2)o1,4.49,5.140623474121094,0.10720006769157647,750,3
OADMET-0005711,O=c1[nH]c2ccccc2cc1Cn1cc(C2(O)CC3CCC2C3)nn1,4.34,4.32990665435791,0.12684969940525492,2742,3
OADMET-0005710,Cc1ccc(CC(=O)NS(=O)(=O)c2ccn(-c3ccccc3)n2)cc1,4.16,4.2944560050964355,0.14737634796527768,168,1
OADMET-0005709,Cc1cccc2c1OC(C(=O)NS(=O)(=O)c1ccc3c(c1)CCCC3)C2,4.95,4.8511663436889645,0.06586341755656,2741,0
OADMET-0005708,CC(C)Nc1cccc(-c2cn(CCn3cccn3)nn2)c1,4.83,4.48399019241333,0.1437352949053071,2740,1
OADMET-0005707,COc1cn(-c2ccccc2)nc1-c1nc(-c2ccccn2)no1,4.3,4.32460355758667,0.10583269488145494,2739,2
OADMET-0005706,Cn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)CC(C1CCC1)C1CCC1,4.86,5.203117847442627,0.05694568954229606,300,0
OADMET-0005705,CCn1cccc(NC(=O)N2CCC2c2ccc(Cl)cc2)c1=O,4.52,5.24298210144043,0.1900577221736931,557,1
OADMET-0005704,O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)C1,4.68,5.55668363571167,0.13946731616915783,714,2
OADMET-0005703,CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2,4.97,5.1994706153869625,0.12475593089450236,137,4
OADMET-0005702,CC(Cc1ccc(O)cc1)NC(=O)N1CCc2cc(Cl)ccc2C1,5.22,4.860444450378418,0.2126835556980968,2738,3
OADMET-0005701,Cc1ccc(-n2cc(C(=O)N3CC4CCCN4Cc4ccccc43)nn2)cc1,4.97,4.714214324951172,0.06988580492949745,2737,4
OADMET-0005700,Cn1cnc(-c2ccc(C(=O)N3CCCC(C4CC4)C3)cc2)n1,4.04,4.490586662292481,0.1035280219426943,2736,0
OADMET-0005699,CCc1ccc(-c2nnc(SC3CCN(c4ccccc4)C3=O)[nH]2)cc1,4.95,4.593524169921875,0.0896698966274442,2735,1
OADMET-0005698,O=C(CC1CC=CC1)NS(=O)(=O)c1cc(Cl)cc2cccnc12,4.41,4.91754035949707,0.11857720457121475,2734,2
OADMET-0005697,CCS(=O)(=O)c1cccc(CC(=O)N2CCCC2CSC)c1,4.9,5.286577415466309,0.13044041163905415,2733,3
OADMET-0005696,N#Cc1ccc2c(c1)CCC2NCc1cnccc1C(F)(F)F,4.22,4.856057453155517,0.12846695099417427,2732,4
OADMET-0005695,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)s1,3.94,4.675937652587891,0.13712777941633209,161,2
OADMET-0005694,O=C(c1c[nH]nc1-c1ccsc1)N1CCOC2(CCc3ccccc32)C1,4.96,4.955740547180175,0.06683337799166887,2731,0
OADMET-0005693,CC1CC2CCC(C(=O)NCc3nc(C(C)C)cs3)CN2C1,4.82,4.7021458625793455,0.14807981680572202,2730,1
OADMET-0005692,CCCNC(=O)c1cccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c1,4.9,4.718639659881592,0.09081214623874216,2729,2
OADMET-0005691,CCOc1ccc2ccccc2c1OCC1(O)CCOCC1,4.25,3.950379657745361,0.20475914322553132,2728,3
OADMET-0005690,CCc1noc(NC(=O)N2CCCc3ccccc3CC2)n1,4.7,4.606472206115723,0.10481188570765766,326,4
OADMET-0005689,COc1cc(C)c(NC(=O)Cn2sc3ccccc3c2=O)cc1C(F)(F)F,5.05,4.945661926269532,0.06122232265219074,2727,4
OADMET-0005688,O=C(Nc1cnn(Cc2ccccc2)c1)C1Cc2ccccc2O1,4.59,5.22672815322876,0.025070965426104794,185,4
OADMET-0005687,CC(C)CN(CC(O)c1ccc(F)cc1)C(=O)NCC1CC(=O)Nc2ccccc21,5.04,5.07620906829834,0.10539465654553902,2726,0
OADMET-0005686,O=C(c1cnccn1)N(c1ccc(Br)cc1Cl)C1CCC1,5.1,5.003363513946534,0.09791603048428996,2725,1
OADMET-0005685,O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1ccccc1Cl)C1CC1,4.22,5.324901485443116,0.1389315384000012,2724,2
OADMET-0005684,COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(C(C)CO)CC1,4.67,4.355495262145996,0.03334376452185444,325,4
OADMET-0005683,CC(=O)N1CCC(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C1,4.77,5.231229305267334,0.09198466624843882,2723,3
OADMET-0005682,Cc1ccc(C2(CNC(=O)N3CCCC(C)(O)C3)CC2)c(C)c1,4.9,4.797262287139892,0.06829202021619832,140,0
OADMET-0005681,O=C(NS(=O)(=O)c1ccc2c(c1)COC2)c1cc2c(s1)CCCC2,5.17,4.908019924163819,0.060154641823144686,732,2
OADMET-0005680,O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(NCC2CC2)nc1,4.27,4.8305614471435545,0.09009369783255125,749,2
OADMET-0005679,CN(c1ccccc1)c1nc(C(=O)N2CC3(C2)CC3(F)F)cs1,4.4,5.382434844970703,0.12584883487569262,2722,4
OADMET-0005678,O=C(c1ccc2oc(=O)[nH]c2c1)N1CCOCC12CCCCC2,5.14,3.8730099201202393,0.12937467364167515,2721,2
OADMET-0005677,CC1CC(C(=O)Nc2ccc(F)c(C(N)=O)c2)(c2cccc(Cl)c2)C1,5.13,5.1369704246521,0.13149796840459868,748,0
OADMET-0005676,CC1(c2ccc(C(=O)N3CCN(C4CC4)c4ccccc43)cc2)NC(=O)NC1=O,5.66,5.266043186187744,0.1318195695313777,20,2
OADMET-0005675,CCCn1cc(-c2cn(Cc3ccn(Cc4ccccc4)n3)nn2)cn1,4.41,4.325246715545655,0.12751198487882848,537,2
OADMET-0005674,CC(C)CC(=O)Nc1ccc(NCc2cccc3nnn(C)c23)cc1,5.2,4.178415012359619,0.15713848146764364,2720,1
OADMET-0005673,CC1(c2cc(NS(=O)(=O)c3ccc(F)cc3F)on2)CC1,4.39,5.516431617736816,0.16882694627239675,2719,1
OADMET-0005672,O=C(Nc1cccc(F)c1F)NC1CCCN(C2CCCCC2)C1=O,4.92,5.262890911102295,0.22570995047420625,99,3
OADMET-0005671,CC(C)(C)OC(=O)C(C)(C)NCc1ccc2c(c1)NC(=O)CO2,4.94,4.553424072265625,0.13227128542415917,2718,2
OADMET-0005670,COc1ccccc1C(C)NC(=O)CN(C(C)C)S(C)(=O)=O,4.6,5.233709335327148,0.12688220093138072,2717,3
OADMET-0005669,COc1cc(C(C)NC(=O)N2CCOC[C@H]2C)cc2ccccc12,4.68,5.31934871673584,0.12224626729808741,2716,4
OADMET-0005668,CC(C)(C(=O)N1CCCC(CO)(Cc2ccccc2)C1)n1cccn1,5.27,4.7338484764099125,0.12246772268203249,747,2
OADMET-0005667,Cc1cc(NC(=O)NCc2cccc(Oc3ccccc3F)c2)n(C2CCS(=O)(=O)C2)n1,5.14,4.453618812561035,0.0927738836071463,324,4
OADMET-0005666,CCCCn1ncc(NC(=O)NC2CCOC23CCCC3)c1C(C)C,5.25,4.759150409698487,0.15804038322933736,2715,0
OADMET-0005665,COc1ccccc1-c1cn(C(C)c2cnc(C)cn2)nn1,4.39,4.614379978179931,0.10981537159363548,2714,1
OADMET-0005664,COCc1nn(Cc2nc(N)c3c4c(sc3n2)CCCC4)c(=O)o1,5.28,4.316581916809082,0.05378585333411422,737,4
OADMET-0005663,CCC(C)(C)NC(=O)C(C)n1cc(-c2ncccc2F)nn1,4.85,4.751778411865234,0.09476066269327298,2713,2
OADMET-0005662,O=c1ccn(-c2ccc(F)cc2)nc1-c1nc(Cc2cccc(Cl)c2)no1,4.28,4.8573099136352536,0.10398271762737854,2712,3
OADMET-0005661,CC1(C)CNC(=O)C1NCc1nc(C(F)(F)F)n2c1CCCC2,5.08,4.669577312469483,0.18758762119878167,689,0
OADMET-0005660,Cn1ncc(NC(=O)NCC(C)(C)c2ccc3ccccc3c2)c1C(F)F,4.75,5.083574485778809,0.08102964708627386,2711,4
OADMET-0005659,CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(C#N)CCCCC1,5.12,5.202348613739014,0.060092906899837525,2710,0
OADMET-0005658,COc1cccc(C(=O)NCCNC(=O)C2COc3ccccc3C2)c1,4.51,4.469656467437744,0.08541618278686836,112,4
OADMET-0005657,Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCCc2[nH]ncc21,4.63,4.649084568023682,0.11987915277643434,2709,1
OADMET-0005656,O=C(NCC(F)(F)C(F)F)C1CCN(c2ccccc2Cl)C1,4.89,3.9086251258850098,0.1454737069468409,97,0
OADMET-0005655,Cc1c(NC(=O)C(C)N2CCCN(Cc3nccn3C(C)C)CC2)cccc1[N+](=O)[O-],5.2,4.262582015991211,0.06579664705320368,2708,2
OADMET-0005654,FC(F)c1noc(CN2Cc3ncccc3N3CCC[C@H]3C2)n1,5.16,4.762662696838379,0.037780796172674415,165,4
OADMET-0005653,CCCc1csc(NC(=O)N2CCCC2c2ccc3c(c2)OCCO3)n1,5.41,5.37260332107544,0.05133019935035697,746,4
OADMET-0005652,Cc1ccc(C(=O)N2CCCC(n3ccnn3)C2)c(F)c1Cl,4.45,4.875849914550781,0.16424786857147253,39,2
OADMET-0005651,CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)NC2Cc3ccccc3C2)c1,4.09,4.375480270385742,0.0938513388025224,312,4
OADMET-0005650,O=C(c1coc(C2CC2)n1)N1CCOc2c(Cl)cc(Br)cc21,4.27,5.3443190574646,0.0917740653011566,2707,3
OADMET-0005649,CC1OCCCC1C(=O)Nc1cc(-c2cccs2)nn1CCO,4.79,4.423762226104737,0.15236954175045977,301,3
OADMET-0005648,COc1cccc(OC)c1C(=O)NC(C)c1csc(C)n1,4.53,4.818863582611084,0.12811988100963306,171,1
OADMET-0005647,CC(C)c1cc(NCc2nnc(C(C)C)n2C)nc(C(C)C)n1,4.53,4.9922709465026855,0.16828600652781373,2706,4
OADMET-0005646,CN(C(=O)Cc1c[nH]c2ccc(F)cc12)C(CC(N)=O)C(F)(F)F,4.64,3.8517645359039308,0.13571082659098568,2705,0
OADMET-0005645,CN(C(=O)Cn1c(-c2ccccc2)nc2ccccc21)c1cccnc1,4.65,4.831754589080811,0.06437504843676345,2704,1
OADMET-0005644,O=S(=O)(Nc1cnn(CC(F)(F)F)c1C1CC1)c1cccc2ncccc12,5.1,5.134277629852295,0.17341120855939857,2703,2
OADMET-0005643,CNC(=O)Cn1cc(NCc2cccc(-c3ccc(C)cc3)c2)cn1,4.29,3.467972755432129,0.1108062409104941,2702,3
OADMET-0005642,CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccn(Cc3ccccc3)n2)C1,5.14,4.806090068817139,0.09232693004287605,2701,4
OADMET-0005641,COc1cc(F)c(C(C)NC(=O)c2ccccc2OC(F)(F)F)cc1OC,5.1,4.6539229393005375,0.06822031440846048,2700,0
OADMET-0005640,CN(Cc1cccc(O)c1)C(=O)c1cccc(N2CCCC2)c1,4.67,5.179521083831787,0.09744793641561787,573,4
OADMET-0005639,CC1(C)CN(C(=O)NC2CCOc3c(Cl)cccc32)C1c1ccncc1,4.8,5.137987232208252,0.1922848068601165,2699,0
OADMET-0005638,COCCn1nnnc1NC(=O)C1CCc2ccccc2C1,4.84,3.8442008972167967,0.06506746985162788,2698,2
OADMET-0005637,Cc1cc(C)c(-c2ccc3nc(CO)n(C)c3c2)c(C)c1,4.09,3.9933227062225343,0.054447793683849034,2697,2
OADMET-0005636,CC(=O)N1CCCCCC1C1CCN(c2cc(O)nc(C)n2)CC1,5.12,4.648161506652832,0.16689182635773686,745,0
OADMET-0005635,Cc1noc2ncc(S(=O)(=O)NC3C4CCc5ccccc5C43)cc12,4.89,5.155468082427978,0.0758312880693664,744,1
OADMET-0005634,O=C(Cn1ccc2ccccc2c1=O)N1CCC(Cc2ccccc2)C1,4.09,4.589598941802978,0.09087548952055441,9,2
OADMET-0005633,COc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1-n1nnnc1C,4.43,4.3170417785644535,0.13328535474605357,2696,1
OADMET-0005632,Cc1oc(-c2ccccc2)nc1Cc1nc(Cc2ccon2)no1,5.1,4.719905853271484,0.11344922682497183,2695,1
OADMET-0005631,COc1cc(OC)cc(-c2noc(NC(C)CSC)n2)c1,4.35,5.215695858001709,0.14982024559967985,2694,2
OADMET-0005630,COc1ccc(C(CCO)NC(=O)NCCc2c[nH]c3ccccc23)cc1,4.63,4.2310709953308105,0.11169168472482048,14,1
OADMET-0005629,COC1CCCC(CC(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1,4.73,4.5359162330627445,0.15078113981551167,2693,3
OADMET-0005628,CCCS(=O)(=O)c1ccccc1C(=O)NCC1(O)CCCCCC1,5.27,4.900759983062744,0.07638125235802179,743,4
OADMET-0005627,C[C@@H]1CN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H](C)O1,4.68,3.896717977523804,0.05505360002583182,2692,4
OADMET-0005626,NC(=O)C1(c2ccccc2)CCN(c2nnc(C(F)(F)F)s2)CC1,3.51,4.83330602645874,0.10143600029038424,661,0
OADMET-0005625,CC(C)Oc1ccc(S(=O)(=O)Nc2cn(C)nc2C(F)F)cn1,4.57,4.842425727844239,0.10979763891563103,2691,0
OADMET-0005624,CC(C)(NC(=O)c1ccc2c(c1O)CCCC2)c1nnn[nH]1,4.16,3.967776727676392,0.08355982525594559,2690,1
OADMET-0005623,Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc2[nH]ncc12,4.87,4.601937103271484,0.10441865298837819,440,0
OADMET-0005622,OC1(C(F)(F)F)CCN(c2cncc(OC3CCCCC3)n2)C1,5.15,4.595698356628418,0.17631510959476498,329,3
OADMET-0005621,COC(=O)c1cnc(NC(=O)c2ccccc2OC2CCCC2)s1,4.95,5.106864356994629,0.05024672943685211,122,2
OADMET-0005620,COc1cc(C(=O)NCCN2CCc3sccc3C2)ccc1C,4.67,4.247183322906494,0.12378522225082883,16,1
OADMET-0005619,Cc1noc2nc(C(C)C)cc(C(=O)N3CCOCC3(C)C3CC3)c12,5.05,5.3686826705932615,0.16180698292580703,2689,2
OADMET-0005618,O=C(NC(c1ccccn1)C1CCC1)c1nn[nH]c1-c1ccccc1,4.96,4.876043701171875,0.07714658419615453,2688,3
OADMET-0005617,CC(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1nc(-c2ccccc2)no1,4.87,4.999303340911865,0.07020784956379364,41,4
OADMET-0005616,COc1ccc(C(=O)NCC2CCOc3ccccc32)cc1N1CCNC1=O,4.54,4.54558801651001,0.1160469517901784,290,2
OADMET-0005615,Cn1ncc2c(=O)[nH]c(CCC(=O)N3CCC(c4ccc(F)cc4)CC3)nc21,4.93,4.340626525878906,0.05775696337599065,2687,4
OADMET-0005614,CCCC1(CO)CCCN1C(=O)C(C)NS(=O)(=O)c1cccs1,5.32,5.345633411407471,0.12790722401200316,503,2
OADMET-0005613,CC(C(=O)N1CCOCC1c1nc2ccccc2s1)c1cccnc1,5.04,4.748181629180908,0.09673697351659703,2686,0
OADMET-0005612,O=c1cc(N2CCCC3(CCCCN3)C2)[nH]c(=O)n1Cc1ccccc1,4.53,3.967431640625,0.20233347009812724,2685,1
OADMET-0005611,COc1ccc(CCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1OC,4.85,4.088610506057739,0.0726679069845801,26,0
OADMET-0005610,COc1ccccc1N1CCC(NC(=O)c2sccc2-n2cnnn2)CC1,4.85,4.526660919189453,0.09924710342198743,65,4
OADMET-0005609,COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(F)ccc2F)cc1,4.15,4.785916423797607,0.16879198137909224,2684,2
OADMET-0005608,CCc1ccccc1-n1cc(C(=O)NC(C)c2nn(C)cc2O)nn1,4.53,4.651675701141357,0.07202508122786648,2683,3
OADMET-0005607,CC(NC(=O)CN1CCC(CO)CC1)c1ccc(F)c2ccccc12,4.73,4.463440036773681,0.06973858531191285,2682,4
OADMET-0005606,CCCc1nc(C(C)(C)NC(=O)c2cccc(-c3ncn[nH]3)c2)no1,4.59,4.007422828674317,0.09492593458506234,742,1
OADMET-0005605,COc1cccc(OC)c1C(=O)NC(C)c1cnn(C(C)C)c1,4.91,4.86535005569458,0.09030279343415465,171,1
OADMET-0005604,CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2nc(C(C)(C)C)cs2)C1,3.91,4.750968551635742,0.12948393771662434,250,0
OADMET-0005603,NS(=O)(=O)c1cccc(N2CC(C(=O)N3CCc4ccc(Cl)cc43)CC2=O)c1,4.29,3.976821231842041,0.10685858104040227,691,3
OADMET-0005602,CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cccn(C)c1=O,4.47,4.680896854400634,0.08385081045272821,323,3
OADMET-0005601,O=C(NCC1OCCc2ccccc21)c1occc1COc1ccccc1,4.87,5.3478114128112795,0.0933955973958837,606,0
OADMET-0005600,CCc1nn(C)c(CC)c1CN1CCCC1c1cccnc1,4.73,4.018017959594727,0.18254397873397346,2681,0
OADMET-0005599,CN(C(=O)c1c[nH]nc1-c1ccccn1)C1CCc2ccccc2C1,4.43,4.597190475463867,0.05781153042764842,669,0
OADMET-0005598,COc1cncc(C(=O)NC(c2ccccc2)c2cccc(S(C)(=O)=O)c2)n1,4.92,4.94711446762085,0.11409968761123253,2680,1
OADMET-0005597,Cc1cc(NC(=O)c2ccc(Cl)c3cccnc23)n(C)n1,4.77,4.342544937133789,0.07803622499624874,151,4
OADMET-0005596,CNC(=O)c1cccnc1N1CCc2ccccc2C(C)(C)C1,4.79,4.971274566650391,0.086777414656101,2679,2
OADMET-0005595,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc2ncccn2n1,4.93,4.172393894195556,0.03646165428207015,162,4
OADMET-0005594,O=C(c1nc2ccccc2c(=O)[nH]1)N1C[C@H](Cc2ccccc2)[C@@H](O)C1,4.24,4.089558553695679,0.14034975201716923,2678,3
OADMET-0005593,COCc1cccc(CC(=O)N2CCC(c3nccc(C)n3)CC2)c1,4.74,4.3377306938171385,0.09183180360642439,102,2
OADMET-0005592,Cc1[nH]c(=O)c(C(=O)NC2CCCN(c3cnn(C)c3)C2)cc1-c1ccccc1,4.65,3.8220451354980467,0.13099056817791274,2677,4
OADMET-0005591,CC(C)c1nnc2c(NC3CCCC3CNS(C)(=O)=O)nccn12,4.9,4.335946941375733,0.11014467002411155,2676,0
OADMET-0005590,O=C(CCc1ccccc1Cl)N1CCCC1CN1CCOCC1,4.63,4.84873628616333,0.16822816353860567,103,3
OADMET-0005589,Cc1cccn2c(=O)cc(COC(=O)c3cc4cc(Br)ccc4[nH]3)nc12,5.16,5.078992176055908,0.13980436363068507,741,1
OADMET-0005588,O=C(CCNC(=O)C1CCCN1C(=O)c1ccccc1O)NC1CCCCC1,4.45,4.286789035797119,0.08833330599351247,167,2
OADMET-0005587,Cc1cc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)oc2cc1C,4.26,4.321308040618897,0.0623322575308852,322,0
OADMET-0005586,Cc1cccc(C(=O)O)c1NC(=O)C(O)(c1ccccc1)c1ccccc1,4.68,4.389500617980957,0.0767003432781819,36,0
OADMET-0005585,Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2,5.04,4.686064910888672,0.1000243450001222,2675,4
OADMET-0005584,Clc1ccccc1N1CCC(c2nc(-c3cccc4[nH]ccc34)no2)C1,4.05,4.67548770904541,0.10188582147265958,2674,3
OADMET-0005583,CC(C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2(C)C)C1=CCCC1,4.27,5.035373497009277,0.10675357206933392,2673,2
OADMET-0005582,O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N1CC2CCC1C2,4.85,5.602657318115234,0.14352206806173634,2672,2
OADMET-0005581,COC(Cn1nnn(-c2ccc(F)cc2)c1=O)C1CCCOC1,4.66,4.583346271514893,0.1369848220314945,2671,3
OADMET-0005580,Cc1ccc(NC(=O)c2cccn(C)c2=O)c2cccnc12,4.11,4.285515975952149,0.13683304451897924,2670,4
OADMET-0005579,O=C(NCc1cc2ccccc2s1)NC[C@]12C[C@H]1COC21CCC1,4.85,4.959026241302491,0.09806224684166297,2669,0
OADMET-0005578,COc1ccc(N(C)C(=O)Cn2ncc3ccccc3c2=O)c(OC)c1,4.77,4.739554309844971,0.1056388747714229,740,2
OADMET-0005577,O=C(Cc1cccc2cccnc12)N1CCCCC1c1ncon1,4.9,4.853520679473877,0.1477772152401127,522,0
OADMET-0005576,CC(C)n1nnnc1-c1ccc(NS(=O)(=O)c2cnn(C)c2)cc1F,4.12,3.919041299819946,0.09737164313345373,2668,1
OADMET-0005575,CC(=O)NCc1ccc(C(=O)NC(c2nc3ccccc3[nH]2)C2CCCCC2)o1,4.82,4.3819478988647464,0.11952475770024955,2667,2
OADMET-0005574,COc1ccccc1N1CCC(NC(=O)Cc2noc3ccccc23)C1,5.28,4.98048849105835,0.04052515117849033,65,4
OADMET-0005573,O=C1NCCN(C(=O)NC2CCc3c(Cl)cccc32)C1c1ccccc1,4.73,4.675912094116211,0.11852171011780245,311,0
OADMET-0005572,CC(C)(C)NS(=O)(=O)NC(=O)C(C)(C)c1cccc(C#N)c1,4.77,4.87251501083374,0.09113424720928424,2666,3
OADMET-0005571,CC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccnc2nn[nH]c12,4.75,4.749464702606201,0.10832855831762318,2665,4
OADMET-0005570,CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)c1,5.08,4.839600563049316,0.08149867914021175,2664,0
OADMET-0005569,CC(=O)NC1(c2noc(C3(C#N)CCSCC3)n2)CCCCC1,4.68,5.033922863006592,0.06098830559290567,2663,1
OADMET-0005568,Cc1cc(N)n2ncc(C(=O)NCc3cccc(O)c3F)c2n1,4.35,3.9858158588409425,0.09865830584067711,709,1
OADMET-0005567,O=C(N1CCc2nc[nH]c(=O)c2C1)C1(Cc2ccccc2)CCc2ccccc21,5.12,4.865459156036377,0.12518787173804788,2662,1
OADMET-0005566,CC(c1ccccn1)N(C)C(=O)c1nc2cc(Br)c(F)cc2[nH]1,5.31,4.37599401473999,0.10938259855185671,2661,3
OADMET-0005565,N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(COCC2CCCO2)c1,5.28,5.133102130889893,0.06707015416506011,2660,4
OADMET-0005564,COc1cccc(C(CNc2nc(C)c3ccccc3n2)N(C)C)c1,4.88,4.861636734008789,0.03596456303707792,2659,0
OADMET-0005563,CN(CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)c1ccco1,5.18,4.67068567276001,0.08562738054062494,592,4
OADMET-0005562,O=C(c1c[nH]c(=O)c2ccccc12)N1CCCN(c2ccccn2)CC1,5.03,4.378175067901611,0.16442113853966883,2658,1
OADMET-0005561,CCOc1nccc(C)c1C(=O)N1CC[C@@H](Oc2ccccc2)C1,4.59,4.080779886245727,0.13266337403840298,321,2
OADMET-0005560,CCNC(=O)c1ccc(CNC(=O)CN(C(=O)CC2OCCc3ccsc32)C2CC2)cc1,4.8,4.344882488250732,0.09407529766153984,2657,2
OADMET-0005559,O=C(COc1ccccc1-n1ccnc1)Nc1ccc(Cl)cc1,4.96,3.6676042079925537,0.14125750074499444,2656,3
OADMET-0005558,COc1ccccc1-c1noc(C(C)NC(=O)N2CCC(C(C)O)CC2)n1,4.61,4.100022792816162,0.03996065210930707,2655,4
OADMET-0005557,C[C@@H](NC(=O)c1cnc(-c2nccs2)[nH]c1=O)c1cccc(F)c1,5.13,4.53078556060791,0.17735224072065928,2654,0
OADMET-0005556,CC(NC1CCCc2ncc(C(F)(F)F)cc21)c1cccc(C#N)c1,5.22,5.080681991577149,0.07075400024408422,2653,1
OADMET-0005555,CC(C)c1nsc(CN2CC34CCCCC3(CN(C)C4)C2)n1,4.53,3.933362293243408,0.16910805054652253,2652,0
OADMET-0005554,O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cc(-c2cccnc2)nc2ccccc12,4.58,3.835684823989868,0.12196804900919497,541,1
OADMET-0005553,O=C(NCC1(c2ccc(Cl)cc2)CCC1)NCC1(N2CCOCC2)CC1,4.79,5.297622776031494,0.1143793404985606,2651,1
OADMET-0005552,CCC(c1cc(Cl)cc2c1OCC2)n1cc(CN2CCOCCC2=O)nn1,5.14,5.007049465179444,0.10327801199374514,2650,2
OADMET-0005551,CCNC(=O)C(c1cccc(OCC)c1)N1CC2CN(C(=O)CCSC)CC2C1,5.3,4.3034594535827635,0.13289252640076976,2649,0
OADMET-0005550,CCN1CCCC(NC(=O)Nc2cccc3cc[nH]c23)C1=O,5.0,4.834283447265625,0.0994074113764005,739,0
OADMET-0005549,COc1ccc2ccccc2c1CNC(=O)NC1CCN(C(C)(C)C)C1,5.09,4.8728033065795895,0.12501478043246383,738,3
OADMET-0005548,O=C(NC1(c2noc(C3CCCO3)n2)CCCCCC1)c1csnn1,4.83,4.0256702423095705,0.17859339695468238,2648,2
OADMET-0005547,O=C(NC[C@H]1CCCO1)N1CCc2ccccc2[C@@H]1c1ccccc1,5.37,5.5461138725280765,0.14826943130753556,320,1
OADMET-0005546,Cc1ccnc(COC(=O)Cc2csc3ccc(Br)cc23)n1,4.93,5.160053253173828,0.11314156299169137,2647,3
OADMET-0005545,CC1CCN(C(=O)Nc2cnn(C(F)F)c2)CC12CCC2,5.43,5.339565277099609,0.10191772532501839,2646,4
OADMET-0005544,CC(C)N1CCC(NS(=O)(=O)CC2OCCC2(C)C)C1=O,4.8,5.725154113769531,0.19983247734212592,2645,0
OADMET-0005543,Cc1nc2nc(SCc3ccc(C(F)(F)F)nc3)nn2c(C)c1C,5.1,4.700669002532959,0.1327966098849565,2644,1
OADMET-0005542,COc1c(C)cccc1CNC(=O)NC1CCOCC12CCCC2,5.28,4.846110248565674,0.1507997481019393,2643,2
OADMET-0005541,Cc1cc(C)c2nc(NC(=O)CCOC3CCOCC3)sc2c1,4.68,5.036604881286621,0.14455360639511522,2642,3
OADMET-0005540,CN(Cc1noc(C2CC2)n1)C(=O)c1ccc2ccccc2n1,4.63,4.785144901275634,0.1463862522920273,68,2
OADMET-0005539,CC(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N,4.82,5.209842395782471,0.08534243336638701,2641,4
OADMET-0005538,O=C(c1ccn(-c2ccccc2F)n1)N1CCC(Oc2ccccn2)C1,4.43,4.534914207458496,0.05195429380298589,143,4
OADMET-0005537,O=C(c1ncnc2c1OCCO2)N1CCCC1Cc1cccc2ccccc12,5.19,5.178937721252441,0.1116549561415873,2640,0
OADMET-0005536,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2ccc(Cl)cc2n1,4.49,3.980229043960571,0.15451230380803996,322,0
OADMET-0005535,COc1ccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)cc1O,5.23,4.5916424751281735,0.08203665811580581,737,4
OADMET-0005534,CCCC1(COC)CCCN1C(=O)c1sc(S(N)(=O)=O)cc1C,5.49,5.328813362121582,0.1084822405441982,248,2
OADMET-0005533,CC(CNC(=O)c1cccc2c1CNCC2)c1ccc(F)cn1,4.21,4.3600608825683596,0.14564213755193733,2639,1
OADMET-0005532,O=C(NC1CCC2(CCCCC2)CC1)C1CC=CCC1C(=O)N1CCOCC1,5.22,4.101049470901489,0.15839305994849676,2638,2
OADMET-0005531,CCn1ncc(CNC(=O)Cc2nc(C(C)C)c(C)s2)c1C,4.4,4.198366641998291,0.15111015332544733,2637,3
OADMET-0005530,O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1n[nH]c2ccccc12,4.88,4.487776470184326,0.12751226034329066,736,4
OADMET-0005529,COc1cc(C(=O)NC2CCCN(c3ccccn3)C2)cc2c1OC(C)C2,5.3,4.586335372924805,0.1626126207294948,288,3
OADMET-0005528,CN(C)S(=O)(=O)C1(Cn2c(=O)[nH]c3cc4c(cc3c2=O)CCCC4)CC1,3.86,4.857806873321533,0.0641990417846005,2636,4
OADMET-0005527,COC(=O)c1cccc(-c2nc(-c3cn(CC4CCCCNC4)nn3)cs2)c1,4.09,3.738103675842285,0.08275998419410466,2635,0
OADMET-0005526,O=C(NC1CCN(C2CC2)C1=O)C(c1cc(Cl)cc(Cl)c1)N1CCOCC1,5.07,4.958208179473877,0.08470930408595867,2634,1
OADMET-0005525,COc1ccc(-n2nnnc2CNC(C)(C)c2cccc(C#N)c2)cc1,5.54,4.873485469818116,0.11210639503359426,112,4
OADMET-0005524,CC(O)C(Nc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F,5.3,5.322742462158203,0.1439893373419041,2633,2
OADMET-0005523,O=C(Nc1c[nH]c2ccccc12)c1conc1C1CCCC1,4.43,4.496116733551025,0.11538819780894236,2632,3
OADMET-0005522,CCC(C)NC(=O)C1CSCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O,5.37,5.352863025665283,0.10672399773247478,2631,4
OADMET-0005521,C=CCC1(C(=O)OCC)CCN(C(=O)c2nn[nH]c2C2CC2)C1,4.49,4.90161361694336,0.11741791523747935,2630,0
OADMET-0005520,CCC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)nc2C)C1,4.29,5.560619831085205,0.12952247311575904,2629,1
OADMET-0005519,Nc1nc(COC(=O)c2cncc(-c3ccccc3)c2)nc2ccccc12,4.81,4.106189632415772,0.07247720964689912,2628,4
OADMET-0005518,O=C(NCCN1CC2CCCCN2C1=O)c1cccc2scnc12,5.39,4.596476078033447,0.11033841533508776,2627,3
OADMET-0005517,O=C(CCc1cn[nH]c1)N1CC2CCN(C(=O)CC3CCCCC3)C(C2)C1,4.92,4.705661773681641,0.20534180123709397,2626,3
OADMET-0005516,Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)CNC3)n1,4.46,3.9305492877960204,0.11834263068026572,2625,4
OADMET-0005515,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CC(OC(=O)NC(C)C)C3)cc2)cc1,5.1,4.616780853271484,0.12288506530443846,2624,0
OADMET-0005514,Cc1nnc(N(C)C(=O)[C@]2(c3ccccc3)C[C@@H](F)C2)s1,4.7,4.581271934509277,0.14636301154381262,330,2
OADMET-0005513,COc1ccc(-c2nnc3n2CC(C)(C)CC3)c(OC)c1,5.2,5.278164958953857,0.1033877598327072,735,0
OADMET-0005512,N#CC1(c2nnc(-c3ccc(COc4ccccc4)o3)o2)CCCC1,5.01,4.805833244323731,0.16583919377659992,2623,1
OADMET-0005511,Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cnc4cc[nH]c4c3)CCC2C)c1,4.73,4.5005899429321286,0.03328135153004157,2622,2
OADMET-0005510,N#Cc1cc2c(nc1N1CCC(O)(C(F)(F)F)C1)CCC2,4.99,4.486555671691894,0.08984499548721003,329,3
OADMET-0005509,O=C(N[C@]12C[C@H]1CN(C(=O)C1(Cc3cccc(F)c3)CC1)C2)C1CCCCC1,5.68,5.317830753326416,0.14235169087512975,2621,3
OADMET-0005508,Cn1c(C2C(C3CC3)CCN2C(=O)c2nc(C3CC3)n3ccccc23)n[nH]c1=O,5.34,5.031712341308594,0.10888106941854885,2620,4
OADMET-0005507,Cc1nn(C)c2ncc(C(=O)N3CCCC3c3cccc(F)c3)cc12,5.31,4.9375732421875,0.030678527359506748,170,1
OADMET-0005506,CCC(C)n1nc(NC(=O)C2CNC(=O)c3ccccc32)cc1C,5.18,5.002206134796142,0.12247753782397892,588,1
OADMET-0005505,O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCc2c(F)cccc21,4.48,4.651737213134766,0.05940468382344612,2619,0
OADMET-0005504,CCC1CN(c2ccccc2)CCN1C(=O)c1cc(OC)ns1,4.77,5.070870494842529,0.15518348968195447,2618,1
OADMET-0005503,Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(CC(=O)O)c1,4.95,4.5712120056152346,0.0792925561367139,2617,2
OADMET-0005502,Cc1cc(Br)c2ccccc2c1NC(=O)c1cn(CCN(C)C)nn1,4.87,3.7825619697570803,0.16022417027294023,2616,3
OADMET-0005501,Cc1cccnc1C(F)(F)C(=O)N(CC1CCOC1)C1CC1,5.29,5.240589714050293,0.08091862731405247,2615,4
OADMET-0005500,CC(NC(=O)Cn1nnnc1C1CC1)c1ccc2c(c1)CCCC2,4.64,5.015064525604248,0.09165324427549812,2614,0
OADMET-0005499,CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc3c(c2)CCC3)cs1,5.17,5.166054534912109,0.20154597966642016,2613,1
OADMET-0005498,Cc1cc(C(=O)N2CCCC(CNC(=O)c3cccc4nn[nH]c34)C2)nc2ccccc12,3.8,5.04047212600708,0.0945625331516374,734,1
OADMET-0005497,C[C@H](c1ccccc1)N(CC(N)=O)S(=O)(=O)c1cnn(-c2ccccc2)c1,4.9,5.722136306762695,0.13124334492099277,2612,2
OADMET-0005496,COc1ccc(C)cc1NC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1,5.08,4.97066011428833,0.12850543666948175,2611,3
OADMET-0005495,CC(C)N1CCC(n2cc(COc3ccccc3Cl)nn2)C1=O,5.03,4.8491700172424315,0.09390471459474824,2610,4
OADMET-0005494,C[C@@H](NC(=O)C1CCCc2ccnn21)c1ccc(Cl)cc1,5.36,5.1875053405761715,0.18945655872218722,2609,0
OADMET-0005493,CN(Cc1ccnn1-c1ccc(F)cc1)CC(O)Cc1ccccc1,5.13,4.723678970336914,0.1934793039331352,2608,1
OADMET-0005492,O=C(CNC1CCCOc2c(Br)cccc21)NCC1CC1,5.35,5.083519363403321,0.10317947192198614,2607,2
OADMET-0005491,CC1(C)CCN(C(=O)NCc2cc[nH]n2)CC1c1ccccc1,4.84,4.5418623924255375,0.08708043205366765,2606,0
OADMET-0005490,Cc1cc(CNC(=O)NC2CCc3c(Br)cccc32)on1,4.96,5.085083675384522,0.08019043243549075,319,4
OADMET-0005489,O=C(NCc1cn2c(n1)CCCC2)NC1CC(c2cccc(Cl)c2)C1,4.94,4.930704402923584,0.07602186167333473,2605,4
OADMET-0005488,O=C(NCCN1CCc2sccc2C1)c1cc2ccccc2[nH]1,5.04,4.221709060668945,0.11366001149961062,318,1
OADMET-0005487,CC(C)n1c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc21,4.78,4.691231060028076,0.04596160986308925,2604,3
OADMET-0005486,O=C1CCc2cc(S(=O)(=O)N3CCOc4ccccc4C3)ccc2N1,4.93,4.972288513183594,0.11027565899963637,2603,2
OADMET-0005485,COc1ccccc1C1CN(C(=O)c2ccc(CCF)cc2)CCN1,4.61,4.2409014225006105,0.17029282322636766,2602,1
OADMET-0005484,O=C(NCc1ccn(C2CCCC2)n1)NC1CCc2ccccc2C1,4.93,5.040318489074707,0.0937967601024135,271,4
OADMET-0005483,CCNC(=O)CN(C)C(C(=O)OC)c1ccccc1C(F)(F)F,5.17,5.0595293045043945,0.21213647513873196,2601,2
OADMET-0005482,CC(NC(=O)NCc1cccc(C2(C)NC(=O)NC2=O)c1)c1nc(-c2cccc(F)c2)no1,4.99,4.713468074798584,0.06476755298511333,2600,3
OADMET-0005481,Cc1cc(CCC(=O)NC2CCC(C)(C)CC2c2ccccc2)on1,4.96,5.383022594451904,0.043462005821120406,713,4
OADMET-0005480,CCC(=O)N1CCCN(S(=O)(=O)CC2CCCC(C)C2)CC1,5.11,4.635965633392334,0.09714055403685103,2599,4
OADMET-0005479,Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)nn1)CCC2,4.7,4.354702568054199,0.07215019269020406,2598,0
OADMET-0005478,CCC(C)(CC(=O)O)NC(=O)c1c(Cl)c2ccccc2n1C,5.06,4.6492997169494625,0.20240452384407567,2597,1
OADMET-0005477,N#Cc1ccc2c(c1)CC(NC(=O)c1cnc(C3CCC3)[nH]c1=O)C2,4.5,3.8441516399383544,0.05163924657875908,2596,2
OADMET-0005476,COc1cccc(CC(=O)N2CCC(c3ccccc3OC)C2)c1,5.3,5.1148286819458,0.11492105908982503,102,2
OADMET-0005475,COc1cc(CCC(=O)N2CCC(Cc3ccccc3)C2)on1,4.85,4.3523260116577145,0.10229911303519391,9,2
OADMET-0005474,CC1(c2cn(C(C(=O)NC(C(N)=O)c3ccc(Cl)cc3)C(C)(C)C)nn2)CCCO1,5.27,4.959671306610107,0.15524227519840703,2595,3
OADMET-0005473,COc1ccc(Cl)c(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1,4.33,4.387200832366943,0.08031431492415708,2594,4
OADMET-0005472,COc1cc(C)ccc1CNC(=O)c1ccc(F)cc1C,4.92,4.5826318740844725,0.12080401932115789,7,3
OADMET-0005471,CC(C)(C)Nc1cccc(-c2nc(CCc3cnccn3)n(C3CCC3)n2)n1,5.32,5.029395198822021,0.07063415682991461,2593,0
OADMET-0005470,O=C1CC(c2nnc(-c3ccc4ccccc4c3)o2)CN1c1c(F)cccc1F,4.23,4.48484582901001,0.12067736862051677,2592,1
OADMET-0005469,CCOc1cccc(CC(=O)N2CCC(c3ccc(F)cn3)CC2)n1,4.87,4.394083786010742,0.1041260342536485,269,4
OADMET-0005468,Cc1c(S(=O)(=O)N2CCCC(C)C2C(=O)O)oc2ccc(F)cc12,4.38,4.919854736328125,0.1255861634953582,169,0
OADMET-0005467,CCn1c(=O)c(NCc2nnc3ccc(C)cn23)nc2ccccc21,5.22,4.354749774932861,0.06451022716485655,645,4
OADMET-0005466,COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2cnc3c(cnn3C)c2)n1,4.43,4.411962795257568,0.09394040774033856,2591,2
OADMET-0005465,C[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(Cl)cn1,5.19,4.686491394042969,0.17100627223204443,2590,3
OADMET-0005464,CCN(CC(=O)NC)S(=O)(=O)c1cnc(NCC(C)C)c(C(F)(F)F)c1,4.81,4.942775249481201,0.06324083674658444,2589,4
OADMET-0005463,COc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(F)c2)CC1,5.34,4.6771095275878904,0.14473324625743422,1,2
OADMET-0005462,NC(=O)[C@@H]1CC[C@H](NC(=O)N2CC(c3ccccc3)C3(CCC3)C2)C1,4.86,3.92651252746582,0.10390049565231771,2588,0
OADMET-0005461,O=C(CC1CCCCC1)N1CCCS(=O)(=O)CC1c1ccccc1,5.23,5.4428300857543945,0.12119524415732776,2587,1
OADMET-0005460,CC1c2ccc(F)cc2CCN1C(=O)c1cccc(O)c1,5.15,5.5163544654846195,0.0723086050078083,2586,2
OADMET-0005459,O=C(COc1ccc2c(c1)CCCC2)NC1CCCCC1,4.72,4.813311290740967,0.08435370725337166,25,2
OADMET-0005458,C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@H](Nc2ccncc2C#N)C1,4.75,4.645474910736084,0.10568772165085125,2585,3
OADMET-0005457,CCOc1cc(N2CCC(Cc3c[nH]cn3)CC2)nc(C)n1,4.59,3.1033488273620606,0.07482317473923035,2584,4
OADMET-0005456,CC(C)(C)C1(NC(=O)NCc2nc(C(F)F)no2)CCC1,5.22,5.4473895072937015,0.16082621196813807,2583,0
OADMET-0005455,Cc1nc(N(C)CCN(C)C(=O)CCc2ncc[nH]2)ccc1[N+](=O)[O-],5.09,3.5507036685943603,0.11787593001470074,2582,4
OADMET-0005454,N#CC(CS(=O)(=O)NCCCc1ccccc1)C1CCOCC1,4.69,4.010784244537353,0.1438937244572918,2581,3
OADMET-0005453,O=C(NCCc1ccc2c(c1)CCO2)N1CC2(CCC2)C1C1CCOCC1,4.93,5.251908969879151,0.16379993566937742,2580,2
OADMET-0005452,O=C(CN(CC1CCCO1)c1nc2ccc(F)cc2o1)N1CCCC1,4.61,4.906670379638672,0.09726133394131038,2579,2
OADMET-0005451,O=C(NS(=O)(=O)CC1CCCCC1)C1CCC(C(F)(F)F)CC1,4.3,3.7468777656555177,0.14167269242878444,2578,3
OADMET-0005450,Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC3(CCC3)O2)s1,5.43,5.123392963409424,0.07638236636190447,2577,4
OADMET-0005449,CCN(CC)C(=O)c1ccccc1Cn1cc(-c2cnc(F)cc2C)nn1,5.32,5.3735651016235355,0.11872765983246693,2576,0
OADMET-0005448,O=C(OCc1cccc(F)c1F)C1CC(O)CN1C(=O)c1ccc2ccccc2c1,5.31,4.310014247894287,0.14881143735815472,2575,1
OADMET-0005447,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1Cl,5.07,4.640979480743408,0.17260916210439703,480,0
OADMET-0005446,Cc1cccc(C)c1-n1cc(CNC(=O)C(F)(F)F)nn1,5.24,4.949235725402832,0.1618413543529727,2574,2
OADMET-0005445,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1,4.5,3.9262866020202636,0.12822424679040362,733,3
OADMET-0005444,Cn1nc2c(c1S(=O)(=O)Nc1ccc(F)c(O)c1F)CCCC2,4.57,4.806553173065185,0.1505628052799099,2573,3
OADMET-0005443,O=C(NC1CCS(=O)(=O)C1)NC1(Cc2ccc(Br)cc2)CCCCC1,5.61,5.1025590896606445,0.09909433519728081,2572,4
OADMET-0005442,O=C(NCc1cncc(O)c1)[C@H]1CCCC[C@H]1c1ccccc1,5.03,4.592103099822998,0.052142496120373444,438,4
OADMET-0005441,Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1,4.56,4.782564258575439,0.077794625373273,247,3
OADMET-0005440,CS(=O)(=O)c1ccc(Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1,5.01,5.019030666351318,0.030018898777486952,2571,0
OADMET-0005439,CSC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1,4.46,4.68020715713501,0.10130713317934348,2570,1
OADMET-0005438,Cc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1,4.63,5.389395618438721,0.1038889351340344,126,2
OADMET-0005437,COC(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)n1C,5.16,4.910040855407715,0.16334219963980987,670,3
OADMET-0005436,Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1noc2c1CCCC2,4.58,5.3983100891113285,0.17510051395831566,2569,1
OADMET-0005435,O=C1N(CCc2c[nH]c3c(Cl)cccc23)C(=O)C23CC(CN12)C3,5.18,5.312061500549317,0.12145010888553362,2568,3
OADMET-0005434,CSC1(CNC(=O)C2COc3cc(F)ccc3C2)CCC1,5.01,4.8044328689575195,0.06448118185510612,2567,4
OADMET-0005433,CC(C)Cn1cc(C(=O)NCC2CCCC(C)(C)O2)cn1,4.78,5.059263515472412,0.15008362062867311,313,3
OADMET-0005432,Cc1c(C(=O)NCC2CCCC(C)(C)O2)nnn1C(C)C,5.48,4.710383415222168,0.07659331957831503,313,3
OADMET-0005431,CC1CCCCN1C(=O)c1ccc(NCc2cc(=O)n(C)c(=O)n2C)cc1Cl,5.04,4.980254173278809,0.11363125145037635,2566,0
OADMET-0005430,O=C(NC1(c2ncccn2)CCOCC1)c1cc2c(s1)CCC2,4.75,5.182449531555176,0.10519443358780317,732,2
OADMET-0005429,CC(C)C(NS(=O)(=O)C1CCOC1)c1ccc(F)cc1F,4.97,5.008968353271484,0.07549486018116429,2565,1
OADMET-0005428,CNC(=O)C1Cc2ccccc2N1C(=O)c1cccc(OCC(F)(F)F)n1,5.0,5.088161945343018,0.12826779439153765,259,3
OADMET-0005427,COc1ccc(CC(=O)N2CC(C(N)=O)Cc3ccccc32)c(C)c1,4.7,4.4905932426452635,0.13633580675313467,2564,2
OADMET-0005426,O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(O)(c2ccc(F)cc2)C1,5.16,4.870853042602539,0.17011639059154968,2563,3
OADMET-0005425,Cc1nc(C(=O)NC2CC(F)(F)C2)nn1-c1ccccc1C(C)C,5.88,5.312339878082275,0.08164768108436991,2562,4
OADMET-0005424,Cc1ccc2oc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)cc2c1,3.9,3.823872995376587,0.18099903081935087,2561,0
OADMET-0005423,Cc1cnc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1C,5.19,4.6532903671264645,0.08387213725851426,41,4
OADMET-0005422,CC(C)Cc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1,4.86,4.863092041015625,0.07558832855576256,41,4
OADMET-0005421,Cc1noc(CCNC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)n1,4.68,4.122883081436157,0.14763809055158605,2560,1
OADMET-0005420,O=C(NCc1ccc2ncccc2c1)C1(S(=O)(=O)c2ccccc2)CCCCC1,5.25,4.805105972290039,0.08545195992077169,278,1
OADMET-0005419,Cn1nc(C(=O)NC2CCCOc3c(F)cccc32)cc1C(F)F,5.38,4.821498966217041,0.06624545773888507,698,4
OADMET-0005418,CN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)C1CCCc2c1cnn2C,4.84,4.75005989074707,0.07043595955742928,2559,0
OADMET-0005417,Cc1cc(NC(=O)CN(C)c2ccc(F)c(Cl)c2)n(C2CCS(=O)(=O)C2)n1,4.88,4.917933082580566,0.05565127306775752,324,4
OADMET-0005416,CC1(C)CN(C(CNC(=O)c2cnn3cccnc23)c2ccc(Cl)cc2)CCO1,5.28,4.811148643493652,0.09266964913852897,100,2
OADMET-0005415,O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(c2ccco2)C1,4.79,4.535915374755859,0.13426162115721813,2558,1
OADMET-0005414,CC(C)(CNC(=O)c1cnc2cc[nH]c2c1)C1CCOCC1,4.42,3.8827459812164307,0.07367100181100311,566,0
OADMET-0005413,Cn1nc(-c2ccco2)cc1NC(=O)NC(c1ccccn1)C1CC1,4.22,4.794301986694336,0.1214157078332242,731,3
OADMET-0005412,O=C(NC1COc2cc(F)cc(F)c21)c1ccccc1OC(F)F,4.89,5.371267032623291,0.13972577378541232,2557,2
OADMET-0005411,Cn1nncc1S(=O)(=O)NCC1CCCc2ccccc21,4.91,5.0505051612854,0.08514044327041964,2556,0
OADMET-0005410,O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccnc(NC(=O)C2CC2)c1,5.15,4.492518615722656,0.09331765639096617,571,0
OADMET-0005409,O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCCCCO1,4.89,4.820838165283203,0.04485787698411512,2555,2
OADMET-0005408,CCn1cc(CS(=O)(=O)Cc2nc3c(s2)CC(C)(C)CC3)nn1,5.82,4.955994319915772,0.17827359839104082,2554,3
OADMET-0005407,O=C(NC1CCCN(c2cccc(F)c2)C1)c1ccnn1C1CCC1,5.17,4.7162322998046875,0.15728576393508978,100,2
OADMET-0005406,CC1=C(C)CN(C(=O)NCC(=O)N2CCc3ccccc32)CC1,4.69,5.533721828460694,0.12713034732679282,2553,4
OADMET-0005405,Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H]3CCOC3)c2)o1,4.56,4.31415433883667,0.15862788861357013,2552,0
OADMET-0005404,O=C1NC2(CCCC2)C(=O)N1CCc1nc(C2(c3ccccc3)CCC2)no1,5.31,5.3619382858276365,0.10456157782564382,2551,1
OADMET-0005403,CCC1(CC)CNC(=O)C1NC(=O)c1n[nH]c2c1CCC2,4.98,5.055448341369629,0.16046937192843122,279,3
OADMET-0005402,CC(Oc1ccc(Br)cc1)C(=O)NC1CCCCC1CO,5.1,4.957719421386718,0.12778663213319524,2550,2
OADMET-0005401,O=C(N1CCCC(n2ccnn2)C1)C1(C(F)(F)F)CCCC1,4.15,4.853063774108887,0.10553873811530388,39,2
OADMET-0005400,Cn1cc([C@H]2[C@H](CNc3ccc(OC(F)F)cn3)CC(=O)N2C(C)(C)C)cn1,4.83,4.428761196136475,0.19033735474870775,562,2
OADMET-0005399,CC(NS(=O)(=O)c1cnn(C)c1)c1nc(C(C)(C)C)cs1,4.98,4.916387367248535,0.1152720822231948,2549,3
OADMET-0005398,O=C(Cc1ccc2cn[nH]c2c1)NC1CC1c1ccccc1Cl,4.93,5.5915251731872555,0.06485895876242426,2548,4
OADMET-0005397,CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(F)c1,4.53,5.071123313903809,0.08548148999624987,2547,0
OADMET-0005396,NC(=O)C1CC(C(=O)N2CCc3ccc(F)cc32)=NN1c1ccc(F)cc1,4.29,4.695227432250976,0.10289730031385008,2546,1
OADMET-0005395,Cc1nc(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cn1C,4.2,4.824324035644532,0.14147520390626286,2545,2
OADMET-0005394,CC1C(c2ccccc2)CCN1C(=O)c1ccc(NS(C)(=O)=O)cc1,5.26,5.187983798980713,0.12561598479504799,730,2
OADMET-0005393,Cc1[nH]ccc1C(=O)NC(c1ccccc1)c1nccs1,4.4,4.499409580230713,0.14047384787097075,694,1
OADMET-0005392,CN1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc23)CC12CCOC2,4.43,4.270893859863281,0.1787714120635629,2544,3
OADMET-0005391,COc1ccc(NC(=O)N2Cc3ccccc3NC(=O)C2C)c(C)n1,4.54,3.7859880924224854,0.09932516279692002,2543,4
OADMET-0005390,O=C(NCc1cc[nH]n1)N1CCc2cc(-c3cccc(F)c3)ccc21,3.34,4.535514640808105,0.08456290411258613,2542,0
OADMET-0005389,O=C(Cn1ncc2ncccc21)N(Cc1ccccc1F)C1CC1,4.87,4.871928977966308,0.09488273801129592,2541,1
OADMET-0005388,O=C(NC(CN1CCCC1=O)c1ccccc1)c1cccc2[nH]cnc12,6.06,4.348315238952637,0.07824288984045545,729,4
OADMET-0005387,COc1cnc(C(=O)NCC(NC(=O)OC(C)(C)C)C2CC2)c(F)c1,4.79,4.85539608001709,0.10079544050616675,2540,2
OADMET-0005386,CNC(=O)CN1CCC(c2ccccc2)c2ccccc21,4.88,4.400777053833008,0.13350572329214974,2539,3
OADMET-0005385,CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnn3ccncc23)cc1,4.57,4.556537628173828,0.12063527910932717,2538,4
OADMET-0005384,Cc1noc(CC(NC(=O)Cc2cccc(N3CCCC3=O)c2)c2ccccc2)n1,4.62,4.9063718795776365,0.10155016547865879,2537,0
OADMET-0005383,CC(CC(=O)NC1CCC2(CC1)N=N2)c1ccc(F)cc1,4.18,4.321945285797119,0.11825812126219225,127,4
OADMET-0005382,Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nnn1C,4.74,4.891227912902832,0.07373911962576218,2536,1
OADMET-0005381,COc1cccc(C2(C(=O)NCCn3cnc4ccccc43)CC2)c1,4.59,4.971640777587891,0.08384272248723301,2535,4
OADMET-0005380,Cc1c(NC(=O)C(F)C(F)(F)F)c(=O)n(C2CCCCC2)n1C,4.16,4.554588413238525,0.1651388914308088,2534,3
OADMET-0005379,CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(c4ccccc4F)C3)sc2c1,4.34,4.470638275146484,0.09305363736254503,97,0
OADMET-0005378,O=C(NC(c1cc(F)ccc1F)C(F)F)c1nc2cnccc2s1,4.89,4.47013111114502,0.037122537217449035,2533,3
OADMET-0005377,Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN4C(=O)NCC4C3)c2c1,4.91,5.24134464263916,0.07711835532031068,2532,4
OADMET-0005376,Cn1ccc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)cc1=O,4.8,5.323190307617187,0.09931510047588421,2531,0
OADMET-0005375,CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCNC(=O)c3ccc(O)cc3)c12,4.53,4.332918357849121,0.13501781028600549,2530,1
OADMET-0005374,Cc1ccccc1NC(=O)NC(C)C1(O)CN(C(=O)OC(C)(C)C)C1,4.68,4.918160724639892,0.16777738438026882,2529,2
OADMET-0005373,COc1ccnc(N2Cc3ccccc3OC3(CCOCC3)C2)n1,5.19,4.571523857116699,0.15940000221422984,2528,3
OADMET-0005372,Cc1cc(NS(=O)(=O)CCc2cccc(F)c2)cnc1C,5.23,4.888566303253174,0.11917664721682054,273,2
OADMET-0005371,Cc1nc(-c2cccs2)sc1C(=O)N1CCCC(N2CCNC2=O)C1,4.69,3.8191010475158693,0.026348898948810637,728,0
OADMET-0005370,NC(=O)c1cc(NC(=O)c2csc(C3CCCCC3)c2)c[nH]1,4.5,4.67209758758545,0.09335658075363544,2527,4
OADMET-0005369,CCOc1ccc(-c2cn(CCC3CCCO3)nn2)cc1,4.15,4.148029804229736,0.07076672738632607,2526,0
OADMET-0005368,CC(NC(=O)CNC(=O)C1c2ccccc2C(=O)N1C1CC1)c1ccccc1,3.98,4.259157037734985,0.18224608414903715,2525,1
OADMET-0005367,CN(C(=O)c1cc(O)n(C)n1)c1ccc(OCc2ccccc2)cc1,4.75,3.8057190418243407,0.12255186056845438,95,1
OADMET-0005366,NC(=O)c1cc(N2CCCC2c2ccc(Cl)cc2)ncn1,4.83,5.30181884765625,0.1469476119394438,2524,2
OADMET-0005365,CCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC,4.9,4.88885908126831,0.06610955076189395,2523,3
OADMET-0005364,CC(=O)Nc1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1,4.62,4.0987859725952145,0.13023633070591287,2522,4
OADMET-0005363,CC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1,4.84,4.956024551391602,0.04993617883623456,2521,0
OADMET-0005362,Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)c3ccccc3n2)o1,4.58,4.8194629669189455,0.056074184513695856,50,2
OADMET-0005361,CN(C)S(=O)(=O)N1CCCC(NC(=O)c2ccc(Cl)cc2)C1,5.11,4.7084832191467285,0.19432677308662802,196,3
OADMET-0005360,CN(C)c1nc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)ccc2[nH]1,3.98,4.260556411743164,0.13731642508863143,161,2
OADMET-0005359,O=C1NC(=O)C2(CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)N1,4.47,4.526736736297607,0.11046093795882184,2520,1
OADMET-0005358,COCCN1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)CC1=O,4.43,3.983258771896362,0.1571883460724541,2519,2
OADMET-0005357,Cc1nnccc1NC(=O)NCc1nc(C(C)(C)C)co1,4.78,4.491498184204102,0.153259963567866,281,1
OADMET-0005356,CCn1cnc2c1CCN(C(=O)Nc1cnc(-c3ccccc3)nc1)C2,4.72,3.7595402240753173,0.15445792016875395,2518,3
OADMET-0005355,CC(C)C1(C(=O)[O-])CC1C(=O)NC(C)(C)Cc1ccc(C#N)cc1,4.41,5.204587364196778,0.09845128965044342,2517,4
OADMET-0005354,O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccnn1-c1ccccc1,4.45,4.505398082733154,0.08431620720731026,590,2
OADMET-0005353,CC(C(=O)NS(=O)(=O)C1CCc2ccccc21)n1ccc(C(F)(F)F)n1,4.26,4.7695777893066404,0.06519313866565103,2516,0
OADMET-0005352,O=C(CCS(=O)(=O)c1cccc(Br)c1)Nc1ncn(Cc2cccc(F)c2)n1,5.17,5.163428688049317,0.10337368748763907,2515,1
OADMET-0005351,CC1(C2CC2)COCCN1Cc1nnc(-c2cccc(O)c2)o1,4.41,4.382437038421631,0.1557416645152151,2514,2
OADMET-0005350,N#Cc1cccc(CC(=O)NCCNc2ccc3ccccc3n2)c1,4.71,4.652896308898926,0.14102677234092204,2513,2
OADMET-0005349,CC(C)c1nccn1CC(=O)N1Cc2ncccc2N2CCC[C@H]2C1,4.8,4.621034622192383,0.05468109487632311,165,4
OADMET-0005348,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1,4.5,4.710912036895752,0.11408001559294619,14,1
OADMET-0005347,Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1,4.51,4.569980430603027,0.12488371172732747,600,0
OADMET-0005346,COc1ccccc1C(=O)NCC(=O)NC1CCN(c2ccccc2OC)CC1,4.51,4.525700664520263,0.13485872945238897,7,3
OADMET-0005345,CC(C)n1ccc2cc(C(=O)NC3CCOC(C)(C)C3)ccc21,4.87,4.836626148223877,0.08937870843566258,2512,0
OADMET-0005344,O=C1CN(C(=O)CCC(=O)N2CCC2c2ccccc2)c2ccccc2N1,5.04,5.226326179504395,0.13263263174864584,726,1
OADMET-0005343,Cc1ccccc1-c1nnsc1C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O,3.98,4.035973167419433,0.2459245644863329,707,3
OADMET-0005342,O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)N1CCC2(COC2)C1,5.2,5.115946197509766,0.1711379523847747,2511,4
OADMET-0005341,CN(C)c1cccc(CNC(=O)C2CN(C(=O)C3CCCCC3)C2)n1,4.33,4.3516154289245605,0.1362635668474051,310,4
OADMET-0005340,Cc1ccc(-c2cncc(C(=O)NCc3cscn3)c2)cc1,4.22,3.2441195011138917,0.1096269938544268,2510,3
OADMET-0005339,COCC(c1ccc(F)cc1)N(C)c1nc2nccnc2s1,4.44,4.8251214027404785,0.07126107202465992,2509,2
OADMET-0005338,CN(CC(=O)N1CC=CC(NC(=O)C2Cc3cc(F)ccc3O2)C1)C(=O)c1cccs1,5.06,3.6424667835235596,0.16553158977599786,2508,3
OADMET-0005337,O=C(NC1(C2CCSCC2)CC1)c1cncc(-c2ccccn2)c1,4.87,4.543246269226074,0.0858056470013895,2507,4
OADMET-0005336,CCOC(C)c1nc(-c2cn(C)nc2C)n(-c2ccc(C(C)C)cc2)n1,4.75,4.763886642456055,0.083148058324096,2506,0
OADMET-0005335,Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(=O)Cc3ccc(C)cc3)cc2)cc1,4.35,3.8831000328063965,0.12884886716638716,168,1
OADMET-0005334,O=C(c1cc(-c2ccccn2)ns1)N1CCCC(c2cc(O)cc(F)c2)C1,4.47,4.96636962890625,0.08457457066706997,2505,1
OADMET-0005333,COC(CNS(=O)(=O)CCOC1CCC1)c1cccc(F)c1,5.27,4.790388774871826,0.0969831665842785,2504,2
OADMET-0005332,Cc1c(Cc2ccc3c(c2)OCO3)sc2nc(-c3cccnc3)[nH]c(=O)c12,4.98,4.528955459594727,0.09933080474202756,2503,3
OADMET-0005331,CCOc1cccc(NC(=O)N2CCN(C3CC3)C(C(N)=O)C2)c1,4.46,3.5894871234893797,0.04502238219848617,2502,4
OADMET-0005330,CC(c1ccsc1)N1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1,4.21,3.92561821937561,0.10887536487087426,2501,0
OADMET-0005329,Cc1cc(CC(C)NC(=O)NC2COc3c2ccc(C)c3C)n[nH]1,4.62,5.336776161193848,0.08486056198554486,2500,1
OADMET-0005328,Cc1cccc(Cn2nccc2NC(=O)c2cnc3snc(C)c3c2)c1,4.74,4.8940685272216795,0.040893286165024814,720,0
OADMET-0005327,Cn1cncc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO,4.4,3.9105745792388915,0.1143822551657309,2499,2
OADMET-0005326,Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)C1(C(F)(F)F)CC1,4.4,4.685863208770752,0.10446829713286594,498,3
OADMET-0005325,NS(=O)(=O)c1sccc1CNC1Cc2ccc(Cl)cc2C1,5.14,5.18068037033081,0.1966148151564135,2498,3
OADMET-0005324,CCC1(Cn2cc(-c3cccc(C(F)(F)F)n3)nn2)COC1,4.08,4.813941764831543,0.08978143817723208,2497,4
OADMET-0005323,Cc1cc(CNc2ccc(Cl)c(C#N)n2)nc(N2CCCC2)n1,5.02,5.127452754974366,0.059564560520190615,2496,0
OADMET-0005322,Cn1c(C2C(C3CC3)CCN2c2nccc(C#N)c2Cl)n[nH]c1=O,4.88,4.858265113830567,0.08961937608535193,2495,1
OADMET-0005321,CNCCCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1,4.29,3.3154614925384522,0.11820107646120015,2494,2
OADMET-0005320,CC(NC(=O)C1(C)Cc2ccccc2N1)c1ccc2[nH]c(=O)oc2c1,4.54,4.772569751739502,0.13053096316931864,2493,3
OADMET-0005319,COc1ccccc1C(C)NC(=O)CN1CCCC1Cn1cncn1,5.04,4.515924644470215,0.09502354661374333,727,1
OADMET-0005318,OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCCC1,4.42,4.282381057739258,0.15864130357888034,648,3
OADMET-0005317,CCC(C)Cc1nc(-c2cn(CCCF)nn2)n(-c2cccc(NC(C)=O)c2)n1,5.34,4.555573654174805,0.04042098283044019,2492,4
OADMET-0005316,Cc1cc(C)cc(OCc2nnc(N3CCc4ccc(O)cc4C3)n2Cc2cccs2)c1,5.07,5.270511150360107,0.043541800043285867,2491,0
OADMET-0005315,O=C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2cnccc2N1,4.77,4.743106174468994,0.0471788223099915,608,4
OADMET-0005314,COC(=O)c1cc(-c2ccoc2)n(CC2CCCCO2)n1,4.34,4.513652610778808,0.10386057865720133,2490,1
OADMET-0005313,CC(C)(C)O[C@H]1C[C@H](n2cc(C(C)(O)Cc3ccccc3)nn2)C1,5.06,5.127685546875,0.1438214965506442,504,3
OADMET-0005312,C[C@H](c1ccccn1)n1cc(-c2ccn(CC(F)(F)F)n2)nn1,4.57,4.503273677825928,0.10176580158678593,2489,0
OADMET-0005311,O=C(NCc1nc2c(s1)CCCC2)C1COc2ccc(O)cc2O1,4.7,4.671807479858399,0.08703643939896274,2488,4
OADMET-0005310,CC(C)Oc1ccc(-c2cn(C3CCc4cccnc43)nn2)cn1,5.14,4.923549842834473,0.11467977747310962,2487,3
OADMET-0005309,Cc1c(NC(=O)c2cc(Cl)cn2C)cnn1C1CCCC1,4.64,4.345028877258301,0.1810591885824155,2486,3
OADMET-0005308,Cc1oc(C(C)(C)C)cc1C(=O)N1CCc2c(ncn2C)C1,4.49,5.19567174911499,0.09739655105117304,569,2
OADMET-0005307,O=S(=O)(Cc1ccc(F)cc1)N1CCCC1c1cccnc1,4.55,5.21445598602295,0.046552088926017206,2485,4
OADMET-0005306,O=C1Cc2cc(CCCC(=O)N3CCC3c3ccc(F)c(F)c3)ccc2N1,5.16,5.397628593444824,0.16041898388128872,726,1
OADMET-0005305,CCC(C)NC(=O)C(C)Sc1nnc(-c2ccc(OC)cc2)n1CC1CCCO1,4.64,4.906877231597901,0.08438182323950351,2484,0
OADMET-0005304,Fc1cccc2c1CC[C@@H]2n1cc(C2CCCNC2)nn1,4.6,4.589350891113281,0.12511300892575666,2483,1
OADMET-0005303,Cc1cccc(Cl)c1S(=O)(=O)N1CC(N2CCNC2=O)C1,4.98,4.391882610321045,0.17927428517522842,2482,2
OADMET-0005302,Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3Cl)n2)c(C)c1,4.96,4.623222351074219,0.08558142339630026,514,0
OADMET-0005301,Cc1c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)C(C)C2)[nH]c(=O)c2ccccc12,4.68,4.899809455871582,0.12669855283646644,2481,3
OADMET-0005300,CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2nc(C)cs2)CC1,4.38,4.850644493103028,0.11492678075122317,725,0
OADMET-0005299,CC(C)(C)CCNC(=O)N1C[C@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1,4.56,5.192459774017334,0.03634911102208532,2480,4
OADMET-0005298,CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncnc3ccccc23)C1,4.26,2.5587307929992678,0.06856405091465953,2479,0
OADMET-0005297,O=C(N1C[C@H]2CCS(=O)(=O)[C@H]2C1)C1(c2cccc(F)c2)CC1,5.23,5.111690711975098,0.16118273548962997,2478,1
OADMET-0005296,O=C(NC(c1ccc(F)c(Cl)c1)C1CC1)c1nc2ncccn2n1,4.43,5.415097713470459,0.10843232580553688,724,4
OADMET-0005295,COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)cc1,5.27,4.17388219833374,0.15423036930596903,23,3
OADMET-0005294,Cc1ncc(C(=O)N(CC2CCCCC2)c2ccccn2)c(C)n1,4.97,4.059135293960571,0.07398690099014407,723,2
OADMET-0005293,CC(NC(=O)[C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1F,4.6,4.906256198883057,0.15865309251409399,2477,2
OADMET-0005292,COc1cccc(C(O)CNC(=O)COc2ccc3ccccc3c2)c1,4.39,4.632234287261963,0.12410009944448865,30,1
OADMET-0005291,CCCN(Cc1cc(F)ccc1F)C(=O)c1ccc2ncn(C)c(=O)c2c1,4.65,4.802173137664795,0.09065916662610199,2476,2
OADMET-0005290,COc1cccc(C2CCN(C(=O)Cc3cc(C)on3)CC2)c1,5.16,4.6224363327026365,0.09444873772807107,102,2
OADMET-0005289,Cc1cc(C)n(CCCC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1,5.12,4.386011981964112,0.16383108854783526,274,3
OADMET-0005288,Cc1nc2ccccn2c1CNC(=O)c1c(-c2ccccc2Cl)noc1C,4.53,4.432524967193603,0.05238801132329451,29,0
OADMET-0005287,Cc1cccn2cc(C(=O)Nc3c4c(nn3C)CCCC4)cc12,4.73,4.478809547424317,0.07013128244379575,2475,4
OADMET-0005286,O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)C1CC12CCS(=O)(=O)CC2,3.26,4.474201488494873,0.07353513087807242,286,2
OADMET-0005285,CC(C)Cn1ncc2cc(C(=O)NCC[C@H]3CCCC[C@H]3O)cnc21,4.79,5.138839435577393,0.13236186552114002,270,2
OADMET-0005284,CN1CCOC(CN(CC2CC2)S(=O)(=O)c2ccc3c(c2)CCCO3)C1,4.93,5.432571983337402,0.15214462060528403,549,2
OADMET-0005283,CSCc1ccccc1NC(=O)CN(C)[C@@H]1CCC[C@H]1O,4.46,4.823380184173584,0.21536942102054785,722,3
OADMET-0005282,Cc1ccc(Cl)cc1NC(=O)C(C)N1CCOC2(CCOC2C)C1,4.54,4.715798473358154,0.11760193846520989,2474,0
OADMET-0005281,Cn1nc(C(=O)N2CCc3ccccc3C2CO)cc1C(F)F,4.42,4.778981685638428,0.05636581478384965,545,4
OADMET-0005280,CC(C)C1c2ccccc2CCN1c1ncc(C#N)cc1F,5.02,5.491120910644531,0.1908049926719601,543,3
OADMET-0005279,CC(C)(C)OCc1cccc(NC(=O)c2cnn3ncccc23)c1,5.39,4.946862983703613,0.1344358987171276,2473,1
OADMET-0005278,Cc1cc(=O)[nH]cc1C(=O)NC1(c2ccc(Cl)cc2)CCCCC1,4.78,4.988928318023682,0.08840576632649294,2472,2
OADMET-0005277,Cc1cccc(CC2(O)CCN(C(=O)c3cn4ccccc4n3)CC2)c1,4.38,4.226928615570069,0.13432279692847077,160,3
OADMET-0005276,Cn1nc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1C1CC1,4.92,5.291302585601807,0.09284371179101224,706,4
OADMET-0005275,Cc1ccccc1C(C)C(=O)NCc1nccc(C(F)(F)F)n1,4.43,4.893605422973633,0.11039142449641658,528,1
OADMET-0005274,COc1ccccc1-c1ccc(C(C)NC(=O)C2(C(=O)O)CC2)cc1,4.26,4.046722459793091,0.13815415537663917,2471,3
OADMET-0005273,CCc1noc(C)c1NC(=O)N1CCC(c2cc(C)ccc2C)CC1,4.13,4.9999470710754395,0.08843980353543673,2470,4
OADMET-0005272,COc1ccc2c(c1)C(C(=O)Nc1nccnc1C(C)C)CC2,4.3,4.451334476470947,0.13958120797701426,166,3
OADMET-0005271,COc1cc(C(=O)N2CCC(OC(C)C)CC2)c2ccccc2n1,4.45,5.1374053955078125,0.04300609382614048,143,4
OADMET-0005270,Cc1ccc(OCCC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1C,4.28,3.598932695388794,0.20350529193833433,2469,0
OADMET-0005269,COc1cccc(C(=O)Nc2nnc3n2CCCC3)c1O,4.58,3.9772284507751463,0.10068479815640743,2468,1
OADMET-0005268,COc1cc(F)c(NC(=O)C2CCCN2C(=O)c2ccccc2O)cc1F,4.73,4.072320508956909,0.13034411483373587,167,2
OADMET-0005267,CCO[C@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1,4.24,4.528703117370606,0.06148694916074997,102,2
OADMET-0005266,CC1OCCC1(C)NC(=O)c1ccc(-c2ccccc2F)o1,5.09,4.990704822540283,0.13470472835311165,2467,2
OADMET-0005265,COc1ccc2c(c1)C(Nc1nccc3nccnc13)CCC2,5.0,4.445475101470947,0.09224135517290132,166,3
OADMET-0005264,C=C[C@@H]1OCC[C@H]1NC(=O)c1cnn(CC(C)C)c1C(F)F,4.75,4.823688602447509,0.04552975645764643,2466,1
OADMET-0005263,COc1ccc(CC(=O)N2CCCC2c2ccc(OC)cn2)cc1,5.08,4.586035251617432,0.1691321483365199,2465,3
OADMET-0005262,CC1(O)CCCN(C(=O)c2ccc3c(c2)C(C)(C)CO3)C1,4.24,4.5654294967651365,0.09928323851495721,2464,2
OADMET-0005261,Cn1c(C2COc3ccccc3O2)nnc1N1CCOC2(CCCCCC2)C1,5.05,5.047151756286621,0.1319559949468466,657,2
OADMET-0005260,Cc1ccc(-c2noc(C3CC34CCOC4)n2)cc1N1CCCC1,4.55,4.617928218841553,0.11718998185625702,2463,0
OADMET-0005259,COC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1OC,4.38,5.056198692321777,0.13135913913177044,177,4
OADMET-0005258,NC(=O)c1ccc(OCC(=O)N2CCCC2Cc2ccccc2)cc1,4.36,4.685006046295166,0.13865610517327054,25,2
OADMET-0005257,CCc1ccc(-c2noc(C(C)NS(=O)(=O)Cc3ccccc3)n2)cc1,5.46,4.658348846435547,0.13716353440190143,184,1
OADMET-0005256,Cc1cnn(CC2CN(C(=O)NC(C)c3ccc(C)c(F)c3)CCO2)c1,4.93,4.753930854797363,0.17596468645682492,174,2
OADMET-0005255,O=C(Cc1ccccc1F)N1CCN(C(=O)c2cccc3c2CCC3)CC1,5.3,4.541420841217041,0.08497904103200284,104,1
OADMET-0005254,CC(CNc1nccc(C(F)(F)F)n1)CN1CCOCC1,4.04,3.7425065517425535,0.13472835832635763,2462,4
OADMET-0005253,CC[C@H](C)[C@H](NCc1ccc(Br)c2cccnc12)C(=O)O,4.51,4.350671672821045,0.13497786055917074,2461,0
OADMET-0005252,CCC(Oc1ccccc1F)C(=O)NC1(c2ncon2)CCC1,4.86,5.234362030029297,0.14206671943738908,2460,1
OADMET-0005251,O=C(Cc1cn2ccccc2n1)N1CC[C@H]2CC[C@]21c1cccnc1,4.53,4.758770370483399,0.13708417229339834,2459,2
OADMET-0005250,CCn1nncc1CNC(=O)C(OC)c1ccccc1C(F)(F)F,4.35,4.48985481262207,0.11803840612120234,2458,3
OADMET-0005249,O=C(Cc1cccc(C(F)(F)F)n1)N1CCCC(n2ccnn2)C1,4.7,4.8222455978393555,0.13438766055711854,39,2
OADMET-0005248,CC(NC(=O)C(=O)NC1CCCc2c1cnn2C)c1cccc(NC(=O)c2ccccc2)c1,4.53,4.650326538085937,0.10081574663794807,2457,4
OADMET-0005247,COc1ccc([C@@H](C)NC(=O)c2cn3c(n2)COCC3)cc1C,4.72,4.03708930015564,0.061419132749492095,2456,0
OADMET-0005246,O=C(Cc1coc2c(F)c(F)ccc12)N[C@H]1CCC[C@H]1n1ccnc1,4.81,5.496675109863281,0.06927936575509565,2455,1
OADMET-0005245,CN(CC(=O)NCCc1cn(C)c2ccccc12)[C@@H]1CCC[C@H]1O,5.01,4.5743005752563475,0.15052670540614352,722,3
OADMET-0005244,CCOC(=O)c1ccc(N2CCc3ccccc3C2C)nc1,4.81,5.785517692565918,0.16835125036837364,2454,2
OADMET-0005243,CN1C(=O)CN(C(=O)c2cnn(C3CCC3)c2)c2ccccc21,3.98,4.586915302276611,0.13062937424919593,721,3
OADMET-0005242,COc1ccc(C(=O)NCC2(C)CCCCO2)cc1-n1cnnn1,4.46,4.0634369373321535,0.0665071733303714,2453,3
OADMET-0005241,O=C1NCCCN(C(=O)c2cc3cccn3cn2)C1Cc1ccccc1,4.3,4.277893733978272,0.1376348148396775,101,1
OADMET-0005240,CC(C(=O)Nc1ccc2c(c1)OCO2)N1CC(C)(C)OC2(CCOC2)C1,4.24,5.119846820831299,0.12131611967905298,2452,4
OADMET-0005239,CC1(C)C(c2cc(NC(=O)c3cc4n(n3)CCCO4)[nH]n2)C1(C)C,5.15,4.687884902954101,0.15357859542600033,2451,0
OADMET-0005238,CCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccco1,4.73,5.272937679290772,0.08647757283630146,2450,1
OADMET-0005237,O=C(Cn1cnccc1=O)N(C1CCCCC1)C1CCCCC1,4.47,3.6544543743133544,0.11842872571824666,2449,2
OADMET-0005236,COC1(C(F)(F)F)CN(C(=O)c2oc(-c3ccccc3)nc2C)C1,5.19,4.59041919708252,0.1795381784560902,2448,3
OADMET-0005235,COc1ccc2c(c1NC(=O)N1CCC(O)(C3CCC3)CC1)CCC2,4.54,5.075769138336182,0.19785100414443704,2447,4
OADMET-0005234,COc1c(C(=O)N2CCC(Cc3nccs3)C2)[nH]c2ccccc12,4.87,4.349021339416504,0.09143926843034676,2446,0
OADMET-0005233,N#Cc1cccnc1Oc1ccc(-n2ncc3ccccc32)cc1,4.88,3.8134079933166505,0.15167024047437466,2445,1
OADMET-0005232,O=C(c1onc2c1CCCC2)N1Cc2ncccc2N2CCC[C@H]2C1,5.45,5.218548965454102,0.08444148965870245,165,4
OADMET-0005231,O=C(Nc1cc(C2CCOCC2)on1)NC(CCO)c1ccc(Cl)c(Cl)c1,4.81,4.365138053894043,0.18892416308588295,2444,2
OADMET-0005230,COc1cc(CCC(=O)N2CCC(c3cc(C)n[nH]3)CC2)ccc1OCC(F)(F)F,5.21,4.439805603027343,0.10866853795512448,2443,3
OADMET-0005229,COc1ccc2c(c1)C(CCNC(=O)C(C)(O)C(F)(F)F)=CC2,4.6,4.140566492080689,0.1877258184447832,2442,2
OADMET-0005228,Cc1nc(-c2ccc(NC(=O)N3CC(c4ccccc4)C4CCCC43)cc2)cc(=O)[nH]1,4.89,4.2677321434021,0.09852720924632109,711,0
OADMET-0005227,COC1(c2ccccc2)CN(C(=O)Cc2cnc3c(C)cccn23)C1,4.63,4.842017650604248,0.16664706875457172,2441,1
OADMET-0005226,Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21,4.2,4.82288875579834,0.06755302894272563,673,4
OADMET-0005225,COC(CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C1CCOC1,4.62,4.522412967681885,0.10385566964094052,540,0
OADMET-0005224,Cc1ccc(-c2cc(C(=O)N3CC(C)OC(c4ccsc4)C3)[nH]n2)cc1,4.91,4.659635448455811,0.14922087235172476,210,4
OADMET-0005223,Cn1cccc1C1CCCCN1C(=O)c1cc(-c2ccccc2)no1,5.2,5.1637166976928714,0.1196389648854111,40,1
OADMET-0005222,CCOC1CC(CC(=O)N2CCCCC2Cc2ccc(O)cc2)C1,5.48,5.018940734863281,0.11444835382686384,2440,0
OADMET-0005221,N#Cc1ccc(S(=O)(=O)N2CCCC(c3nnc4ccccn34)C2)cc1C(F)(F)F,5.04,5.503728008270263,0.1324563881360008,2439,0
OADMET-0005220,COc1cc(Cl)ccc1CC1NC(=O)C(C2CC(C)(C)C2)NC1=O,5.16,5.171447658538819,0.11622812049855959,2438,1
OADMET-0005219,Cc1ccc(-c2nc(C(C)Oc3ccc(Br)cc3Cl)no2)cn1,4.16,4.512109756469727,0.1183711444639972,701,2
OADMET-0005218,COc1c(F)cccc1N(C)S(=O)(=O)c1ccc(F)c2ncccc12,5.57,5.376015853881836,0.14580873657822305,2437,2
OADMET-0005217,O=C(NCC(O)c1ccc(Cl)c(F)c1)C1CC(c2c(F)cccc2F)=NO1,4.47,4.236004447937011,0.13238560559805665,2436,3
OADMET-0005216,COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1ccc(C)cc1,4.14,4.437113189697266,0.14867460666930873,168,1
OADMET-0005215,COc1cccc(Cc2noc(Cc3cnn(-c4ccccc4)n3)n2)n1,4.65,5.2078986167907715,0.1032214105049665,682,3
OADMET-0005214,CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cnc2snc(C)c2c1,5.12,4.811726760864258,0.08476127522957155,720,0
OADMET-0005213,CC(C)[C@H](C(=O)Nc1ccncc1F)N1Cc2ccccc2C1=O,5.15,4.5502729415893555,0.14407538531820374,2435,4
OADMET-0005212,Cc1nc(-c2ccc(CCNC(=O)c3cccn(C)c3=O)s2)cs1,4.87,3.8778470039367674,0.03239089839813726,2434,0
OADMET-0005211,CC(C)(CNC(=O)c1cc(Cl)ccc1F)c1coc(-c2ccccc2)n1,4.46,5.340393543243408,0.1261240247633016,2433,1
OADMET-0005210,Cc1cc(S(=O)(=O)NC(=O)C(C)Oc2ccccn2)cc(C)c1C,4.52,4.711577224731445,0.0726747898289173,2432,2
OADMET-0005209,Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccnc1,4.57,5.356396961212158,0.11408021246191834,277,2
OADMET-0005208,O=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1cccnc1,4.93,4.4756019592285154,0.13266816430520434,14,1
OADMET-0005207,Cn1cc([C@@H]2C[C@H]2NC(=O)CCc2cccc3ccccc23)cn1,4.3,4.920092010498047,0.10676073024254379,2431,3
OADMET-0005206,CC1=C(C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1,5.13,5.079009628295898,0.08709204831884859,2430,4
OADMET-0005205,CCC1CN(C(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)CC1N1CCOCC1,4.34,3.948044013977051,0.10355176863892764,2429,4
OADMET-0005204,Cn1ncc(S(=O)(=O)Nc2cccc(Sc3ccccc3)c2)n1,4.61,4.823757266998291,0.10441393649601083,2428,1
OADMET-0005203,O=C(Nc1c[nH]nc1-c1nccs1)[C@H]1C[C@](O)(c2cccc(Cl)c2)C1,4.57,3.1903286457061766,0.34776224131496675,2427,2
OADMET-0005202,CCc1nc2c(C(=O)N3CCOc4c(C)cc(C)cc43)ccnc2[nH]1,4.47,4.4307427406311035,0.09154202458454393,2426,3
OADMET-0005201,Cn1cc(-c2nc3cc(F)ccc3n2C)c(C2CCC2)n1,4.31,4.48356351852417,0.045122764441030395,2425,4
OADMET-0005200,CC(C)Cc1ncc(C(=O)N2CCC(=O)N(C)c3ccccc32)s1,5.33,5.173932647705078,0.10159084218287803,41,4
OADMET-0005199,Cc1ccc(C(=O)NCc2cc(-c3ccccc3Cl)on2)cc1[N+](=O)[O-],4.58,4.69307918548584,0.08801959715413808,719,2
OADMET-0005198,OC(c1ccccc1)C1CCCN1Cc1coc(-c2ccccc2C(F)(F)F)n1,4.8,5.548258876800537,0.07232333980920828,2424,0
OADMET-0005197,CCc1ccc(OCC(=O)NS(=O)(=O)c2csc(-c3ccccc3)n2)c(OC)c1,4.44,4.73717679977417,0.1218655105042495,2423,1
OADMET-0005196,CCCc1c(C(=O)OCc2nnc3n2CCCCC3)nnn1-c1cccc(Cl)c1,5.07,4.996642112731934,0.12251040082231998,2422,2
OADMET-0005195,Cc1cccc(CN(C)C(=O)CCn2cc(C#N)c(=O)[nH]c2=O)c1C,4.26,4.0873730182647705,0.07461802505288771,2421,3
OADMET-0005194,CC1CCCCC1Nc1nnc(COCc2ccccc2)o1,4.92,5.058735370635986,0.14758299212714743,2420,4
OADMET-0005193,CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)NC(=O)C1CCC1,4.81,4.425866985321045,0.12429172118159185,2419,1
OADMET-0005192,CC1(C)CCCC(C)(CNc2ncc(S(C)(=N)=O)cn2)C1,4.39,5.2636847496032715,0.2658209971954657,2418,2
OADMET-0005191,O=C(N1CCC(Cn2cncn2)CC1)C1(c2ccccc2F)CCCC1,5.21,4.882565879821778,0.12264106742786714,718,3
OADMET-0005190,CC(c1ccccc1C(F)(F)F)n1cc(S(N)(=O)=O)nn1,5.57,5.009753608703614,0.10875786098402199,2417,3
OADMET-0005189,CCONC(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1,4.37,5.140043830871582,0.08498458265835494,2416,1
OADMET-0005188,O=C(CO)N1CCN(c2nc3ccccc3nc2N2CCCCC2)CC1,4.78,3.576802921295166,0.13413555591632825,2415,2
OADMET-0005187,CC(N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccnc1,5.2,5.197094917297363,0.15202630894912286,509,2
OADMET-0005186,COc1ccccc1-c1cn(Cc2nc3c(o2)CCCC3)nn1,4.4,4.897720813751221,0.06608854837344227,59,0
OADMET-0005185,FC(F)(F)c1ccccc1-c1cn(CCc2ccccn2)nn1,4.5,4.618209266662598,0.0741517899368904,2414,3
OADMET-0005184,c1ccc(Oc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1,4.82,5.26634578704834,0.14518748535350479,2413,4
OADMET-0005183,Cc1sc(-c2ccc3c(c2)OCO3)nc1-c1cn(CC2CCCN2)nn1,4.46,3.959215211868286,0.05153355366712659,2412,0
OADMET-0005182,COC(=O)c1ccc(Cl)cc1-c1cn([C@H]2CC[C@H]2F)nn1,4.87,5.05883378982544,0.11595375849598238,2411,1
OADMET-0005181,COc1ccc(CS(=O)(=O)CC(=O)N2CCCC2(C)C)c(C)n1,5.33,5.478303909301758,0.15521279471520455,2410,2
OADMET-0005180,CC(C1Cc2ccccc2O1)N(C)C(=O)c1ccc(F)c(S(N)(=O)=O)c1,4.86,4.941816997528076,0.154746765161587,2409,3
OADMET-0005179,N#Cc1cc(C(F)(F)F)cc(N2CCCN(C3CC3)CC2)n1,5.21,4.652214908599854,0.1334879214007662,2408,4
OADMET-0005178,CCC(NC(=O)C(C)c1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1,5.0,4.6945116996765135,0.13965513252326311,2407,0
OADMET-0005177,O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1SC(F)F,5.21,5.333111190795899,0.07311527828413819,2406,1
OADMET-0005176,COCC(C)(C)CN(Cc1ccn(C)n1)c1nc(C)c(C#N)s1,4.86,5.304060554504394,0.08719142877651125,2405,2
OADMET-0005175,CC(C(=O)NCc1ccc2ccoc2c1)c1ccc(Br)cc1,4.2,4.74820909500122,0.0728574640008132,2404,3
OADMET-0005174,Cc1ccccc1C(C)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,4.62,4.8687694549560545,0.0670295267311629,2403,4
OADMET-0005173,CN(CCNC(=O)c1cnn(C)c1-c1ccccc1)C(=O)c1cnn(C)c1-c1ccccc1,4.82,5.021250152587891,0.10580687429639873,2402,0
OADMET-0005172,CSc1ccc(CN2C(=O)[C@@H]3CCCN3S2(=O)=O)cc1Cl,5.2,4.801025772094727,0.0970987107400854,2401,1
OADMET-0005171,O=C(CSc1nncn1-c1cccc(Cl)c1)NCCOc1ccccc1,4.72,4.564487361907959,0.13537579597260035,2400,2
OADMET-0005170,COc1cc(C)ccc1NC(=O)C1CC2(C)CCCN2S1(=O)=O,5.14,4.369677543640137,0.15536030986105515,2399,3
OADMET-0005169,CCc1cccc(CC)c1NC(=O)C(C)n1cc(CN2CCCC3(CC3)S2(=O)=O)nn1,4.87,5.132569122314453,0.042712507335482215,2398,4
OADMET-0005168,CN1CC(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)Cc2ccccc21,4.95,4.418006896972656,0.024906188318039212,2397,0
OADMET-0005167,Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(C)n1,5.28,3.8308419227600097,0.12576298046363782,515,1
OADMET-0005166,CN(C)c1ccc(-c2cn(Cc3ccccc3C#N)nn2)cc1,5.37,4.834118938446045,0.12044274738656043,2396,1
OADMET-0005165,C[C@@H](CNC(=O)CCc1cncc2ccccc12)Oc1ccc(Cl)cc1,5.25,4.755092716217041,0.042222706720897264,2395,0
OADMET-0005164,CC(C)(CNC(=O)CCCOc1cccc(Cl)c1Cl)c1cccnc1,4.84,5.197998428344727,0.08560957857326958,2394,4
OADMET-0005163,Cc1[nH]c2ncnc(NC(=O)C(CCS(C)(=O)=O)c3ccccc3)c2c1C,4.54,2.9366265296936036,0.20891444138304913,2393,3
OADMET-0005162,CC1CCN(C(=O)NCC2CCN(c3ccccc3Cl)C2)CC1,4.9,5.137756061553955,0.14153643359327248,317,0
OADMET-0005161,CC(Cn1cc(COc2ncccn2)nn1)C1CCCCC1,5.07,5.085570526123047,0.28488208461394104,2392,3
OADMET-0005160,CC(Oc1cccc(Br)c1)c1nnc(-c2cnn(C)c2)o1,4.49,4.529283142089843,0.0974159554878319,2391,4
OADMET-0005159,Cn1nccc1N1CCCC(NC(=O)NC2CC(OC(C)(C)C)C2)C1=O,4.4,4.9307760238647464,0.07110756044168609,2390,0
OADMET-0005158,Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N(C)C)cc2)n1,4.61,4.457169532775879,0.08110363125167103,2389,1
OADMET-0005157,COC(=O)c1ccccc1CNC(=O)c1nn[nH]c1C1CC1,4.8,4.238212776184082,0.1339508656910173,7,3
OADMET-0005156,Cn1cc(CNCCc2c(C(F)(F)F)[nH]c3ccccc23)cc1C#N,4.31,4.753098011016846,0.09190068538354039,2388,2
OADMET-0005155,C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccc(F)c3occc23)N1C,4.83,4.558827972412109,0.21788123649021024,164,0
OADMET-0005154,Cn1cccc1C1CCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1,4.89,4.715654754638672,0.11528298263170422,40,1
OADMET-0005153,c1ccc(COC2(c3nc(Cc4cnc(C5CC5)o4)no3)CCOCC2)cc1,4.53,4.381679248809815,0.11877440939290787,717,3
OADMET-0005152,O=C(c1ncc2ccccn12)N1CCCC(n2ccc(C(F)(F)F)n2)C1,5.06,4.547388648986816,0.07805691065516675,64,1
OADMET-0005151,O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(-n2cccn2)cc1,4.83,4.52582893371582,0.12725605642303003,247,3
OADMET-0005150,COc1c(Cl)cccc1C(=O)NCCc1cnn(-c2ccccc2)n1,5.02,4.760543251037598,0.10072040390961774,316,3
OADMET-0005149,CC(c1cccc(C#N)c1)N1CCN(C(=O)NC2CCCCC2)CC1,4.64,4.505215263366699,0.12445639121797444,2387,3
OADMET-0005148,Cc1ccccc1CC(CO)CNC(CC(C)C)c1ccccn1,4.92,4.920941257476807,0.0872678742568259,2386,4
OADMET-0005147,Cc1occ(-c2ccccc2)c1C(=O)NC[C@]1(CO)COC[C@@H](C)N1C,4.62,4.20335283279419,0.20357469537585846,164,0
OADMET-0005146,O=C(Cc1c[nH]c2ccc(F)cc12)NCC1NCCc2sccc21,4.45,3.8188690662384035,0.07370958724988759,2385,0
OADMET-0005145,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccccc2-n2ccc(C3CC3)n2)N1C,4.99,4.365169525146484,0.10846918475383352,164,0
OADMET-0005144,CCC1C(=O)N(CC)CCN1S(=O)(=O)c1c(F)cc(OC)cc1F,4.6,5.290497493743897,0.11710798750626575,2384,1
OADMET-0005143,O=C(c1ccccc1Br)N1CC(c2cn(-c3ccccc3)nn2)C1,4.63,5.100958633422851,0.135557736056418,2383,2
OADMET-0005142,CCC(C)(C)NC(C)C(=O)Nc1ccc(-n2cc(C#N)cn2)cc1,4.49,3.822095775604248,0.11509046202563397,2382,2
OADMET-0005141,CCOC(=O)N1CSCC1C(=O)NC1CC=C(c2ccc(F)cc2)CC1,4.8,4.119861125946045,0.1999957194711754,609,3
OADMET-0005140,Cc1cccc(CC(NC(=O)c2nn[nH]c2C2CC2)C2CC2)c1,4.87,5.732787704467773,0.1108510186946342,716,1
OADMET-0005139,CC1CCCC1CC(=O)NCCC(O)(c1ncco1)C(F)(F)F,5.12,4.746489238739014,0.09299123795793005,2381,4
OADMET-0005138,C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2cnn3c2CCCC3)N1C,4.84,4.340112781524658,0.21241220510150813,715,0
OADMET-0005137,CCC(C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C,5.44,4.9519322395324705,0.09462232766853479,2380,0
OADMET-0005136,O=C(Cc1cnn2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1,5.05,4.445198345184326,0.07338344711622857,64,1
OADMET-0005135,O=c1n(CC2OCCO2)c2cccnc2n1-c1ccc(Cl)cc1,4.34,4.512224578857422,0.1554889642255094,2379,1
OADMET-0005134,O=C(Cn1nc2n(c1=O)CCCC2)Nc1nnc(Cc2ccccc2)s1,4.42,4.586754226684571,0.09620691128694721,2378,2
OADMET-0005133,COc1ccccc1C(C)(C)n1cc(C(C)(C)NS(C)(=O)=O)nn1,5.03,5.274465465545655,0.16199789226175396,138,3
OADMET-0005132,CCCCC(C)N(CCCC)C(=O)c1ccn2ccnc2n1,5.33,5.0268473625183105,0.1304472329019791,2377,3
OADMET-0005131,COC(=O)c1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)cc1,4.46,4.298165130615234,0.11478211540561585,2376,4
OADMET-0005130,O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cc(F)cc(F)c2)C1,5.1,5.226493644714355,0.1107191904617489,714,2
OADMET-0005129,O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)Nc1ccc(F)cc1F,5.01,4.461992168426514,0.04162397134600083,2375,0
OADMET-0005128,CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H](C)Oc1ccc2ccccc2c1,5.46,4.441588115692139,0.05061727414770232,302,0
OADMET-0005127,CC1(C)CCC(NC(=O)CCc2cncs2)C(c2ccccc2)C1,5.25,5.17685832977295,0.06144059748696979,713,4
OADMET-0005126,CN(Cc1cc(F)cc(F)c1)C(=O)CCCc1ccc(-c2noc(=O)[nH]2)cc1,4.15,4.203977298736572,0.07070480667071738,2374,1
OADMET-0005125,CC(C)(C(=O)NCCN(C(=O)CC1CCC2CC12)C1CC1)S(C)(=O)=O,4.67,4.552530193328858,0.15234382876849678,2373,2
OADMET-0005124,Cn1ncc(C(=O)NC2CCS(=N)(=O)c3ccc(F)cc32)c1Cc1ccccc1,4.5,4.369873046875,0.09034768606580947,30,1
OADMET-0005123,O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2cc[nH]n2)s1,4.6,3.945950651168823,0.2023576009615171,712,4
OADMET-0005122,Cc1cc(C2CCCN2C(=O)Cc2nc(-c3ccco3)oc2C)no1,4.52,5.178366661071777,0.1276417215018479,141,2
OADMET-0005121,CCC(C)n1ncc(NC(=O)N2CCOCC2c2ccccc2)c1C,4.94,5.177412128448486,0.09182239948835659,2372,1
OADMET-0005120,Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4nc(N(C)C)oc4c3)c2)cc1,4.19,4.417681312561035,0.07833547594746368,2371,2
OADMET-0005119,NC(=O)c1ccc(C(=O)N2CC(c3ccccc3)C3CCCC32)s1,4.97,5.130002784729004,0.12641469514521486,711,0
OADMET-0005118,CCc1nnc(CN2C[C@H](C)CC[C@H]2c2cccc(C)c2)o1,4.36,5.1783326148986815,0.08295884918248236,2370,3
OADMET-0005117,O=C(NC(CO)C1CCC1)c1nnc2c(F)cccc2c1O,4.46,4.718729400634766,0.09793500165712439,2369,1
OADMET-0005116,O=C(CC1CCCC1)N1CCC(Nc2nnc(-c3ccccc3)o2)C1,5.3,5.030897426605224,0.11107907758508866,2368,3
OADMET-0005115,CCSc1cccc(Cn2nnnc2N(C)CC2COCCO2)c1,5.12,4.458732795715332,0.08013581457689437,2367,4
OADMET-0005114,c1ccc(Nc2noc(-c3ccnc(C4CCCC4)n3)n2)cc1,4.01,4.688262462615967,0.12292778270583196,2366,0
OADMET-0005113,O=S(=O)(Nc1cnc(C2CC2)nc1)c1cccc2c1COC2,4.23,5.225369262695312,0.15661175040318748,299,2
OADMET-0005112,CCc1cc(NC(=O)c2cnn(C)c2C(F)(F)F)ccc1F,4.26,4.317876529693604,0.11426949527381582,2365,1
OADMET-0005111,CCN(CC(=O)Nc1ccccc1OC)CC1CCC2(COC2)O1,5.19,4.3477214813232425,0.1568790722177474,2364,2
OADMET-0005110,CCCC1(CCC)CCCN1C(=O)CCc1cnccn1,4.93,5.435258579254151,0.10298304362649545,2363,3
OADMET-0005109,CCC(CC)CN(CC)C(=O)c1cn(C(F)(F)CO)nn1,5.3,4.906290340423584,0.09170920604217109,2362,4
OADMET-0005108,N#Cc1ccccc1OCc1cn(CCc2ccccc2)nn1,5.1,4.94671106338501,0.08595570631835805,2361,0
OADMET-0005107,C=C(C)C1OCCC1CNC(=O)C1CCCCN1C(=O)c1cccs1,5.03,4.439743423461914,0.15500384679894078,710,3
OADMET-0005106,CN1CCCCC(N(C)C(=O)Cc2ccc3c(c2)OCO3)C1=O,4.73,4.472934627532959,0.09164550444845303,553,0
OADMET-0005105,COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc(C)c(C)n1)C2,5.15,5.115533638000488,0.08923219305210855,2360,1
OADMET-0005104,O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1O2)c1cn(-c2ccccc2)nn1,5.26,4.768246269226074,0.15589137534857053,2359,2
OADMET-0005103,Cc1ccc(Cn2nnc(C3(C(F)(F)F)CCCN3)n2)cc1C,5.06,4.915775012969971,0.14036380490000294,2358,3
OADMET-0005102,CC1(NC(=O)c2cccc(C3(C)NC(=O)NC3=O)c2)CC=CCC1,5.09,5.229722690582276,0.11235940273361038,315,1
OADMET-0005101,N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc2ccccc12,4.57,5.440526866912842,0.10941873755407139,2357,4
OADMET-0005100,Cc1cc2ccccc2n1CC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1,4.44,4.709472751617431,0.20025604105756148,380,3
OADMET-0005099,Cc1cc(O)n2ncc(C(=O)NC(C)CCc3ccccc3F)c2n1,4.84,5.238785266876221,0.12444788757905076,709,1
OADMET-0005098,Cc1cc(=O)c(C(=O)NC2c3ccccc3CCC2C(C)C)c[nH]1,5.09,5.444216060638428,0.08437924360310885,163,1
OADMET-0005097,Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1(C)CC=CCC1,4.73,4.570969486236573,0.10578439708208233,605,1
OADMET-0005096,O=C(NCCc1ccc(C(F)(F)F)cn1)c1noc2c1CCCC2,5.23,4.46707124710083,0.07866318454239264,2356,0
OADMET-0005095,CCc1cccc2ccc(C(=O)NCC34CCCC(C3)C(=O)N4)nc12,5.47,5.138754844665527,0.10663315317457174,2355,1
OADMET-0005094,COc1ccc(C2(NC(=O)C3Cc4ccccc43)CC2)cc1,5.24,5.348052501678467,0.1113631312584918,2354,2
OADMET-0005093,COc1cccc2c1CCCCN2C(=O)c1cc2ncccc2o1,5.31,4.841647148132324,0.012923191528052377,2353,3
OADMET-0005092,Cn1nccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1,4.73,4.133868169784546,0.10926971022727416,314,4
OADMET-0005091,O=C(c1sccc1C1CC1)N1CCC(C(=O)N2CCCCC2)CC1,5.31,5.046509838104248,0.08899116917628618,2352,4
OADMET-0005090,COc1cc(OC)nc(C(=O)N2CCCCc3cccnc32)n1,5.44,5.062798309326172,0.05735721404197339,708,2
OADMET-0005089,CC(C)(NC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1nccs1,5.06,5.141912937164307,0.1016357798514039,2351,0
OADMET-0005088,CC(=O)N1CCCN(C(=O)NCc2cnccc2C(C)(C)C)CC1,4.57,5.073375606536866,0.08343798459604428,62,4
OADMET-0005087,Cc1nc(-c2ncccn2)sc1C(=O)N1CCCCCO1,5.0,4.793009853363037,0.1815379664743416,2350,1
OADMET-0005086,O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc(-c2ccccc2)n(-c2ccccn2)n1,3.99,3.520418882369995,0.1047756170374129,2349,2
OADMET-0005085,COCC(Oc1cc(F)cc(F)c1)C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1,5.25,4.81313190460205,0.14777747408850678,2348,0
OADMET-0005084,CS(=O)(=O)Nc1cncc(C(=O)NCCOc2ccccc2-c2ccccc2)c1,4.58,4.406740760803222,0.1107175552389409,2347,4
OADMET-0005083,O=C(CN1CCC(F)(F)C(CO)C1)Nc1ccc2c(c1)CCC2,4.27,4.988571643829346,0.10434376948940176,2346,4
OADMET-0005082,CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1,5.32,4.452252292633057,0.23853702620945474,2345,0
OADMET-0005081,Cc1nccc(N2CCN(C(=O)c3cc4cccnc4s3)CC2)n1,4.91,2.7560922145843505,0.22214937570584142,154,3
OADMET-0005080,O=C1Nc2ccccc2CCC1NC(=O)N1Cc2cc(F)c(F)cc2C1,4.43,4.657001399993897,0.10686094789240431,2344,1
OADMET-0005079,CC1(C)CCCC(CNC(=O)c2ccccc2-n2cccn2)O1,4.94,5.0019794464111325,0.10015523316178813,313,3
OADMET-0005078,Cn1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c2cc(F)ccc21,5.24,4.856509208679199,0.13851757723834118,163,1
OADMET-0005077,O=C(NC1CC(F)(F)C1)c1cnc(Cc2ccccc2F)s1,5.07,5.018079662322998,0.10419296570057829,41,4
OADMET-0005076,CC(C(=O)NC(Cc1csc2ccccc12)C(=O)O)c1ccccc1,4.35,4.464560031890869,0.13047450645954212,2343,2
OADMET-0005075,O=C(NC(c1cccc(Cl)c1)C1CCCCC1)c1ccc(=O)[nH]n1,5.18,4.869169807434082,0.09924108007354493,2342,3
OADMET-0005074,CC1Cc2ccccc2N1CCNC(=O)c1cc(C(F)(F)F)c[nH]c1=O,5.08,4.890262222290039,0.09766683820948728,312,4
OADMET-0005073,Cc1cc(C)n(C(C)C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)n1,4.85,4.732037353515625,0.028850798182479317,162,4
OADMET-0005072,Cc1ccccc1C(NC(=O)c1nccnc1C)C(C)(C)C,5.06,5.774828052520752,0.08833734175991059,2341,4
OADMET-0005071,Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1,4.41,4.555394077301026,0.05100429321738794,635,4
OADMET-0005070,COC(=O)c1cc2c(n1C)CCN(C(=O)c1cccc3[nH]c(=O)n(CC(C)(C)C)c13)C2,5.3,5.001882457733155,0.019030302326845685,2340,0
OADMET-0005069,COCC1(C)CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1,5.02,4.951826381683349,0.09945888459217356,2339,1
OADMET-0005068,Cc1cc(C)cc(N(CCC#N)C(=O)c2cn3ncccc3n2)c1,5.43,5.419159698486328,0.10765721329734426,2338,2
OADMET-0005067,CC(C)CN(Cc1cccc(F)c1)C(=O)CCc1cncnc1,4.73,4.9742378234863285,0.14931651734437698,2337,3
OADMET-0005066,O=C(Nc1cccc2[nH]ccc12)C1CCCN1C(=O)Cc1ccccc1,4.72,4.454952907562256,0.0408083782085658,282,4
OADMET-0005065,Cc1[nH]cnc1C(=O)NC(c1c[nH]c2cccc(F)c12)C(F)(F)F,5.19,4.143721389770508,0.03790404734735362,2336,4
OADMET-0005064,CN1CCc2ccc(NC(=O)Cc3cccc(F)c3F)cc2C1=O,4.99,5.026064395904541,0.08966446800603137,263,4
OADMET-0005063,Cc1cc2ccccc2n1CC(=O)N1CCNC(=O)C1c1ccccc1,4.33,4.4322975158691404,0.11339037806168503,311,0
OADMET-0005062,COc1ccc(F)cc1CC(=O)NC(C)C1(N2CCOCC2)CCCC1,4.99,5.121325302124023,0.13073482972680206,91,2
OADMET-0005061,Cc1nnsc1C(=O)NC1CCCC1c1ccccc1C(F)(F)F,5.39,4.851549243927002,0.13559270167113194,707,3
OADMET-0005060,Cn1nc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1C1CC1,5.25,5.177161979675293,0.0904975661080337,706,4
OADMET-0005059,CN(C)c1cccc(CNC(=O)c2cc3ccccc3c(=O)o2)n1,4.92,4.5842081069946286,0.04907697665526103,310,4
OADMET-0005058,CN(C)c1nccc(CNC(=O)c2cccc3ccccc23)n1,4.96,5.053739261627197,0.058977048062295374,310,4
OADMET-0005057,NC(=O)COc1cccc(C(=O)Nc2cccc3cccnc23)c1,4.26,4.532578659057617,0.08651767449368726,360,2
OADMET-0005056,C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1,4.83,4.176273441314697,0.06256446336695223,2335,0
OADMET-0005055,Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC(C)c2cccc(O)c21,4.83,4.757078170776367,0.0885045744965132,492,4
OADMET-0005054,Cc1nc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(-c2ccccc2)o1,4.79,4.783095932006836,0.05259398741028694,2334,1
OADMET-0005053,CC(C)(C)C1CN(C(=O)c2ccc(C(N)=O)nc2)c2ccccc21,4.95,5.674577331542968,0.1369604469666238,2333,2
OADMET-0005052,Cc1nc(C)c(C(=O)NC(C)(c2ccc(Br)cc2)C(C)C)o1,4.82,4.9659833908081055,0.09001440189741002,2332,3
OADMET-0005051,Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC(C2CCC2)C1,4.84,5.501576519012451,0.06311953707038129,2331,4
OADMET-0005050,CCc1cccc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)c1,5.22,5.389848899841309,0.1418024160478506,2330,0
OADMET-0005049,Cc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cc1Cl,4.21,4.272922611236572,0.05049402691854557,705,0
OADMET-0005048,Cc1ccc(-c2nnc(SCCN3CCC(F)(F)CC3)o2)cc1,5.05,3.7664356231689453,0.10843943104239417,2329,1
OADMET-0005047,CNC(=O)c1ccc(OC)c(NC(=O)C2Cc3cc(Cl)ccc3O2)c1,4.88,4.306085014343262,0.09828367463986783,704,2
OADMET-0005046,CC1=C(C)CC(C(=O)NS(=O)(=O)c2cncc(Cl)c2)CC1,5.1,3.9967401027679443,0.07650191911019702,2328,2
OADMET-0005045,NC(=O)c1ccccc1NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1,5.05,4.707403945922851,0.1425424129816964,2327,3
OADMET-0005044,COCC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(OC)c3)ccc21,4.84,4.911499977111816,0.15727030773255124,2326,3
OADMET-0005043,Cn1cc(-c2ccccc2CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1,4.94,4.448613929748535,0.0678604055320267,41,4
OADMET-0005042,O=C(Nc1cnn(Cc2ccncc2)c1)C1(c2ccccc2)CCCN1,4.69,4.0735023498535154,0.1322237940359083,703,1
OADMET-0005041,CC(C)c1cc(C(=O)NCc2cccc(N3CCOCC3)n2)on1,4.63,4.445085334777832,0.1370696333610904,702,1
OADMET-0005040,Cc1n[nH]c(C(C)C)c1C(=O)NC1CCC(Cc2ccccc2)C1,4.68,4.3701506614685055,0.15331590661457672,2325,0
OADMET-0005039,COc1cc2c(=O)n(CC(=O)Nc3ccccc3Cl)cnc2cc1F,4.57,3.162137746810913,0.10996418720467122,2324,0
OADMET-0005038,CC(C(=O)NC(N)=O)N1CCCC(Nc2ccccc2)C1,4.86,3.7746339797973634,0.1697939297824849,550,3
OADMET-0005037,CCOc1cc(C)nc(N2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)n1,4.09,5.04527473449707,0.10135600681822525,92,0
OADMET-0005036,CC(C)(C)OC(=O)NC1(C(=O)NC2CCCSC2)CC1(F)F,4.93,5.291691303253174,0.127415535642561,2323,4
OADMET-0005035,CN(C)c1ccc(S(=O)(=O)N2CCCC2C(F)(F)F)cn1,4.54,5.4855388641357425,0.10173650252069283,2322,4
OADMET-0005034,CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[C@H](F)C3)CCC2)C1,4.88,5.630675506591797,0.12392021937942825,2321,0
OADMET-0005033,COc1cc(C)nc(N2CCCC(Nc3ccccc3)C2)n1,4.83,5.699216842651367,0.060546488781549695,92,0
OADMET-0005032,Cc1nc(C2CCCN2C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)no1,4.82,5.087153434753418,0.11913059040379888,2320,1
OADMET-0005031,COCCc1nc(C2(Nc3ccc(Cl)cc3)CCC2)no1,4.53,5.111921596527099,0.08734216151945229,2319,2
OADMET-0005030,CC(C)(NC(=O)CC1CCC(F)(F)CC1)c1nc2ccccc2s1,5.07,5.048933124542236,0.14112678837128623,516,1
OADMET-0005029,CC1(C)CCCC(O)(CNC(=O)C2(S(C)(=O)=O)CCCC2)C1,4.73,4.3376974105834964,0.21255292864221673,2318,3
OADMET-0005028,O=S(=O)(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2c1CCCC2,5.3,4.859932327270508,0.09696164943569616,2317,4
OADMET-0005027,O=S(=O)(Nc1cn(CC(F)(F)F)cn1)c1cccc2c1OCCC2,5.69,4.998624324798584,0.13428277297958124,2316,0
OADMET-0005026,COc1cccc(C2=CCN(C(=O)c3noc4c3CCCCC4)C2)c1,5.0,5.1078869819641115,0.13835675949820037,2315,1
OADMET-0005025,CC(NC(=O)Nc1ccccc1)C(=O)NC1CN(C)Cc2ccccc21,4.71,4.326435375213623,0.11458936308691237,2314,2
OADMET-0005024,COc1cccc(C(=O)NCC(=O)NC2CC(C)(C)Oc3ccccc32)c1,5.02,4.82398567199707,0.11833175017521737,74,3
OADMET-0005023,Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cc1Cl,5.23,4.49239330291748,0.10190012857992803,6,4
OADMET-0005022,CC1CCc2c(C(=O)NS(=O)(=O)CC(F)(F)F)csc2C1,4.74,4.157335996627808,0.10923278585532856,2313,3
OADMET-0005021,Cc1sc(=O)n(CC(=O)N(c2ccccn2)C2CCCC2)c1C,5.0,5.476629066467285,0.10131449930314695,2312,4
OADMET-0005020,O=C(C1CCC2(CCC2)CC1)N1CCC(S(=O)(=O)c2ccccc2)CC1,5.24,4.873194408416748,0.13631097074183207,2311,0
OADMET-0005019,CCC1(CC)CC(=O)N(CC(=O)N2CCCCCC2)C(=O)C1,5.38,4.984160614013672,0.0887357607192036,78,1
OADMET-0005018,CC(=O)NC(C)c1nc(C(C)Oc2ccc(Br)cc2Cl)no1,4.7,4.22138614654541,0.11297515123842398,701,2
OADMET-0005017,CCOCC1(c2nc(C(Oc3ccc(Br)cc3)C(C)C)no2)CC1,5.14,5.76242208480835,0.10206512380534256,2310,1
OADMET-0005016,CCC1(C(=O)NCc2ccc3occc3c2)CCN(C(=O)c2ccccc2)CC1,5.13,4.613448524475098,0.1152444618385938,172,0
OADMET-0005015,COC(=O)c1cc(C)c2c(c1)CCCN2C(=O)c1cc(OC)no1,4.8,4.846378421783447,0.08928050337041545,2309,2
OADMET-0005014,COc1ncc(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1,4.66,4.8518884658813475,0.1869009772838662,2308,3
OADMET-0005013,Cc1nc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)sc1C,4.7,4.781598377227783,0.06405961356258794,700,0
OADMET-0005012,Cc1ccc2c(c1)C(=O)N(CC(=O)NC1(C)CC=CCC1)C2=O,5.33,5.27919979095459,0.06732688677127127,2307,4
OADMET-0005011,COCc1ccc(S(=O)(=O)Nc2cnc(OC)c(Br)c2)cc1,4.51,4.8909248352050785,0.17918557144375924,2306,0
OADMET-0005010,O=C(CCN1CCC(NC(=O)C2CC2)CC1)Nc1cccc(Cl)c1,4.61,3.3685904026031492,0.15763774618907395,79,1
OADMET-0005009,Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(NC(C)C)nc1,5.09,5.0072847366333,0.1796116744721991,699,3
OADMET-0005008,Cc1csc(C(C)N2CCN(CC(O)c3ccc(F)cc3Cl)CC2)n1,4.57,4.005149555206299,0.10581544452915882,2305,1
OADMET-0005007,Cc1[nH]c2c(C(=O)N3CCC(NC(=O)C4CC4)CC3)cccc2c1C,4.82,4.378521728515625,0.08424801112065622,2304,2
OADMET-0005006,COCc1cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1OC,5.05,5.3143134117126465,0.06948647338666479,2303,3
OADMET-0005005,O=C1CC(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c2ccc(F)cc2N1,5.0,4.831252098083496,0.10445165423242049,2302,2
OADMET-0005004,Cc1nn(C)c(S(=O)(=O)Nc2cc3n(n2)CCC3)c1C(F)F,4.35,4.455510902404785,0.18495599526771267,604,2
OADMET-0005003,O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc2n(n1)CCO2,4.81,5.4278027534484865,0.06190835987925772,698,4
OADMET-0005002,COc1ccc(CCn2nnnc2N2CCCC2)cc1F,4.87,4.531851577758789,0.05235037814714473,2301,1
OADMET-0005001,CC1(C)CCCC1C(=O)NS(=O)(=O)Cc1ccc(Br)c(F)c1,4.63,4.810071754455566,0.14405032136688842,2300,0
OADMET-0005000,CN1CCC(NC(=O)COc2ccccc2)C1c1ccc(F)c(F)c1,4.57,4.931971168518066,0.12509459356469305,697,4
OADMET-0004999,Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2C2CCC2)c1,4.99,4.407096576690674,0.15607137716553807,2299,0
OADMET-0004998,COC(=O)c1c(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C)nn1C,5.08,4.7097625732421875,0.05718913649933549,2298,1
OADMET-0004997,Cc1cccc(C2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)C2)c1,5.02,5.233533191680908,0.08752409928976336,80,2
OADMET-0004996,CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnn(C)c3)s2)CC1,5.03,5.088254642486572,0.10686692819171158,2297,2
OADMET-0004995,CCc1nocc1CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3,5.34,4.827018928527832,0.07947094650810183,2296,3
OADMET-0004994,O=C(Nc1cc(Cl)ccc1OCC1CCC1)C1CC12CCS(=O)(=O)CC2,5.16,4.7045072555542,0.06186978917064194,589,4
OADMET-0004993,COc1ccc(C(C)(C)c2noc(-c3cc(C)[nH]n3)n2)cc1OC,4.65,4.503825283050537,0.14413466856327262,2295,4
OADMET-0004992,O=C(NC1CC2CN(c3ccccn3)CCN2C1=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1,4.78,4.100338459014893,0.06037264158961445,2294,0
OADMET-0004991,O=S1(=O)C[C@H]2CC[C@H](C2)N1Cc1cn(-c2ccccc2)nn1,5.41,5.186848068237305,0.1522545075494564,696,0
OADMET-0004990,c1cnc(C(CC2CCCCC2)n2cc(C3CCC3)nn2)nc1,5.51,5.568754959106445,0.1295720523702209,2293,1
OADMET-0004989,Cc1c(S(=O)(=O)Nc2cc(C)n(C3CCCCC3)n2)cnn1C,5.56,4.752704429626465,0.10648201598613832,642,2
OADMET-0004988,O=c1c2cccn2ccn1Cc1cn(-c2ccccc2)nn1,4.87,4.324951553344727,0.1174034163268966,696,0
OADMET-0004987,Cc1c(NC(=O)c2cc(F)cc3cccnc23)c(=O)n(-c2ccccc2)n1C,5.23,4.6061478614807125,0.12175876554132978,666,2
OADMET-0004986,O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1C1(C(F)(F)F)N=N1,4.87,5.061896800994873,0.1160961935231374,2292,2
OADMET-0004985,COc1cccc(NC(=O)N(C)Cc2nccn2Cc2ccccc2)c1,4.78,4.570938682556152,0.07648022448755691,2291,3
OADMET-0004984,O=C1NCCc2ccc(S(=O)(=O)Nc3cccc4cc[nH]c34)cc21,5.33,4.523544216156006,0.13215096707941598,303,2
OADMET-0004983,CSCc1cccnc1C(=O)Nc1cccc(C(F)F)c1Cl,4.65,5.10258264541626,0.08184003642317293,2290,4
OADMET-0004982,CSc1nnnn1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1,4.47,4.7370044708251955,0.0887657991381237,2289,4
OADMET-0004981,COCCNC(=O)CN(C)C(=O)c1ccccc1Oc1ccccc1C(C)C,5.53,4.541879177093506,0.1318375604482572,2288,1
OADMET-0004980,O=C(c1ccc(Cc2ccccc2)cn1)N1CCCC2(CCOCC2)C1,5.35,4.686916446685791,0.15943706709853941,587,3
OADMET-0004979,O=C(C1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1,4.2,4.781009101867676,0.09001078971536876,2287,2
OADMET-0004978,Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(F)c(C(N)=O)c1,5.05,4.4875225067138675,0.03772408004164403,29,0
OADMET-0004977,COC1CN(S(=O)(=O)N2CCCC2c2cc(F)ccc2F)C1,5.33,5.274431324005127,0.16749478119316707,2286,3
OADMET-0004976,O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)cc1,4.56,4.316512489318848,0.13695073246779677,156,1
OADMET-0004975,CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCOCC3)C2)cc1C#N,4.6,4.009693288803101,0.14511490782215777,309,0
OADMET-0004974,O=C(NCc1cc2ccccc2[nH]1)NCc1cccc(F)c1F,4.98,5.015290069580078,0.06757354609985389,2285,4
OADMET-0004973,CCc1nnc2ccc(NC3CCc4cc(Cl)ccc43)nn12,5.21,4.756499099731445,0.10382824536907027,2284,0
OADMET-0004972,Nc1ncc(C(=O)NC2CN(C(c3ccccc3)c3ccccc3)C2)o1,4.24,4.048859930038452,0.10748187750585338,2283,1
OADMET-0004971,Cn1nnc2cc(S(=O)(=O)NC3(C(F)(F)F)CCCC3)ccc21,4.6,4.780912685394287,0.14233755150234598,695,3
OADMET-0004970,CC(C)CC(CNC(=O)C(C)N1CCSCC1)NC(=O)c1ccc([N+](=O)[O-])s1,5.22,4.432095336914062,0.05057261385573082,2282,2
OADMET-0004969,CCc1nc(C(C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n[nH]1,4.97,5.055350017547608,0.05910867220554389,198,1
OADMET-0004968,Cc1c(C(=O)N(C)C(C)CS(C)(=O)=O)sc2cccc(F)c12,4.73,5.094380569458008,0.10885321047885271,2281,3
OADMET-0004967,Cn1ncc(C(=O)NC(CO)c2ccsc2)c1Cc1ccccc1,4.8,4.508678531646728,0.10198321266895316,30,1
OADMET-0004966,CCC(NC(=O)c1cnc(N)c(Cl)c1)c1cc(F)ccc1OC,5.15,5.022072410583496,0.08353709234517095,2280,4
OADMET-0004965,O=C1NCC2CCC1N2S(=O)(=O)c1ccccc1OC(F)(F)F,4.93,5.321160984039307,0.18208354290551984,2279,3
OADMET-0004964,COC(CSc1nc2ccccc2c(=O)n1C)c1ccc(Cl)cc1,5.21,5.47368803024292,0.032377477583787104,2278,4
OADMET-0004963,O=S(=O)(NCCCC(F)(F)F)c1nnc(-c2ccccc2)s1,4.78,5.005294227600098,0.08604673670987364,2277,0
OADMET-0004962,Cc1ccc2c(C(=O)NC3COC4CC3C4)cc(-c3cnn(C)c3)nc2c1C,4.27,4.53068962097168,0.095250617146566,2276,3
OADMET-0004961,O=C(NCc1ccnc(-n2cncn2)c1)N[C@@H]1CCCc2ccccc21,4.67,4.519450283050537,0.06102465196266643,2275,0
OADMET-0004960,Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCC(N)=O)c2ccccc12,5.39,5.246821880340576,0.11273578550029759,2274,1
OADMET-0004959,CC(CNC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CC2)c1nncn1C,4.68,5.083277797698974,0.07698707664265779,2273,2
OADMET-0004958,FC(F)(F)Cn1ccc(Cc2nc(-c3ccsc3Cl)no2)n1,4.97,4.591342544555664,0.06252326050779003,2272,3
OADMET-0004957,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(O)ccc12,4.95,4.664088153839112,0.14582080690532748,152,3
OADMET-0004956,Cc1cc(S(N)(=O)=O)oc1C(=O)NC(C)c1cc(Cl)cc2c1OCC2,5.42,5.0450239181518555,0.12969754244070997,2271,4
OADMET-0004955,O=C(CN1CCc2ccc(O)cc2CC1)NC(c1ccccc1)c1nccs1,4.57,4.41348180770874,0.12224314873341059,694,1
OADMET-0004954,CC1=CCN(C(=O)NC(c2ccc(F)cc2F)c2nccn2C)CC1,5.03,5.31657190322876,0.15198542502714893,2270,0
OADMET-0004953,COc1ccccc1Oc1cccc(OC)c1NC(=O)c1ccnc(C(N)=O)c1,4.6,4.394206809997558,0.16443710862523034,2269,1
OADMET-0004952,O=S(=O)(NC12CCC(F)(CC1)C2)c1cnnn1-c1ccccc1,5.03,5.551384449005127,0.14618820216741962,2268,2
OADMET-0004951,Cc1ccc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)N(C)CC(N)=O)c3)c2c1,4.56,4.559683227539063,0.13099200981786252,693,2
OADMET-0004950,COC(=O)c1c(CNS(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)nn2c1CCCC2,5.33,5.2474664688110355,0.04031583361030264,90,1
OADMET-0004949,CCC(C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1)c1c(C)noc1C,4.9,5.0457298278808596,0.12389629143040808,251,2
OADMET-0004948,C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1,4.54,4.476733207702637,0.23275960715615748,2267,3
OADMET-0004947,CC(C)(C)c1ocnc1CN1CCCCC1C1CCCCC1O,4.89,5.612455368041992,0.12463552940198967,2266,4
OADMET-0004946,COCCC1(C)CN(C(=O)c2ncsc2-c2ccccc2)C1,4.56,4.876361751556397,0.09771565291139693,2265,0
OADMET-0004945,O=C1C[C@H](c2ccccc2Cl)NC(=O)N1CC12CCC(CC1)O2,5.51,4.2625627517700195,0.14410223123938942,2264,1
OADMET-0004944,COc1ccc(-c2nc(C)c(C(C)NC(=O)NCc3c[nH]nc3C)s2)cc1,4.37,4.20699291229248,0.11644721588535306,2263,2
OADMET-0004943,Cc1cc(C)n(-c2ccc(-c3nc(C)nn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,5.2,4.7805146217346195,0.1608364162815727,2262,3
OADMET-0004942,NC(=O)c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)ccc1F,5.06,4.441628646850586,0.1663492264010413,161,2
OADMET-0004941,CC(C)Oc1ccc(C(=O)NC(C)(C2CC2)C(F)(F)F)cn1,5.24,4.864623546600342,0.10476722183718737,692,2
OADMET-0004940,COc1ccc2c(c1)N(C(=O)C1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCCC2,5.67,4.475800323486328,0.13537415965185742,691,3
OADMET-0004939,COC(=O)c1ccc2c(c1)CCCCN2Cc1cnc2n1CCOC2,4.71,4.67052640914917,0.08567195175841345,2261,4
OADMET-0004938,CC(Oc1ccc(CO)cc1)c1cn(C(C)c2cccc(F)c2)nn1,5.01,4.299892711639404,0.16273531841728206,496,3
OADMET-0004937,O=C(CC1=CCCCC1)N(Cc1ccccc1F)C1CCS(=O)(=O)C1,4.9,5.188857746124268,0.05510908700193899,2260,0
OADMET-0004936,COC(=O)C1CN(C(=O)Nc2ccn3cnnc3c2)Cc2ccccc21,3.97,3.4224620819091798,0.18025934415050662,2259,1
OADMET-0004935,O=C(O)CC1(NCc2csc(-c3ccc(Cl)cc3)n2)CCOCC1,3.78,4.122286748886109,0.174376938746929,2258,2
OADMET-0004934,CC(=O)NC(C)(C)c1noc(-c2cc(Cl)cc3c2OCC3)n1,4.83,4.685619926452636,0.13151884471005448,690,4
OADMET-0004933,Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2c1,5.33,3.990896463394165,0.04158742804384603,263,4
OADMET-0004932,CCn1cc(C2CSCCN2C(=O)C2CCC(C(F)(F)F)CC2)cn1,5.49,3.900180530548096,0.16816480814955684,2257,3
OADMET-0004931,COC(=O)C1CN(S(=O)(=O)N2CCCC2C)Cc2ccccc21,5.36,5.208899211883545,0.08461504219158635,2256,4
OADMET-0004930,Cc1ccc2c(c1)CC(C(=O)Nc1ncc(Cl)cc1O)S2(=O)=O,4.1,4.252195549011231,0.17310110035193774,2255,2
OADMET-0004929,O=C(CN1C(=O)NC(c2cccs2)(C2CC2)C1=O)NC(Cc1ccccc1)C(=O)NC1CC1,4.81,4.977753162384033,0.03368577790688723,2254,1
OADMET-0004928,CP(C)(=O)C1CCN(c2ncc(C(F)(F)F)cc2S(=O)(=O)N2CCCC2C2CC2)CC1,5.55,5.428689193725586,0.08816942644538746,2253,1
OADMET-0004927,CC1(C)OCC(CNC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)O1,4.81,5.042665004730225,0.18519559245531111,2252,2
OADMET-0004926,O=C(c1onc2c1CCCC2)N1COCCC1c1ccccc1,5.54,5.211734867095947,0.11172801614419209,165,4
OADMET-0004925,COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1c(C)nc2ccccn12,5.2,4.877991676330566,0.134839533828878,108,0
OADMET-0004924,CC(O)C(C)CNC(=O)CSc1nc2ccccc2nc1N1CCOCC1,4.3,4.887320041656494,0.22770902436767715,2251,3
OADMET-0004923,COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cc(=O)nc(SC)[nH]2)cc1,4.4,3.85025839805603,0.10785947521234059,517,4
OADMET-0004922,O=C(NCc1cccc2[nH]ccc12)Nc1cccc(N2CCCC2)c1,5.34,4.560810375213623,0.10450976090289811,2250,4
OADMET-0004921,COc1cccc(NC(=O)N2CCC(C)C(n3ccnc3)C2)c1C,4.72,4.617440605163575,0.07764099155058563,662,4
OADMET-0004920,Cc1cccc(-n2nc(Cc3ccccc3)nc2[C@H]2C[C@@H](O)C2)c1,4.68,4.907975387573242,0.09137834660365014,2249,0
OADMET-0004919,CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)cn1,4.65,4.694847488403321,0.12525095821645174,2248,1
OADMET-0004918,O=C(NC1CCN(c2cccc(Cl)c2)C1)c1cnn2cccnc12,4.53,4.383799934387207,0.08238938580035735,100,2
OADMET-0004917,CC(CO)CNC(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-],4.65,4.98301887512207,0.13096613572024235,223,4
OADMET-0004916,O=C(NC1CCOc2ccc(F)cc21)c1ccc2c(c1)CC(c1ccccc1)OC2=O,4.79,4.935893249511719,0.09072485846181431,308,0
OADMET-0004915,COCC1(C(=O)N2CCN(c3ccccc3C#N)CC2)CCC1,5.19,5.077489948272705,0.14206126180204906,2247,2
OADMET-0004914,CCC(C)C(NC(=O)CSc1nnnn1-c1ccc(C)cc1)C(=O)OC,5.16,4.8745198249816895,0.16335642213046853,2246,3
OADMET-0004913,CC1CCCCC1c1nc(-c2nnc[nH]2)nn1Cc1cc(F)cc(F)c1,5.23,5.724446868896484,0.08638200772906496,2245,4
OADMET-0004912,CCCc1c(-c2nc(CC3(C)CC3(F)F)no2)nnn1CC,5.47,4.17741322517395,0.12403640971642231,2244,0
OADMET-0004911,CC(C)=CCCC(C)CC(=O)Nc1ccccc1C1CNC(=O)C1,5.16,4.960381889343262,0.17139836193119723,2243,1
OADMET-0004910,Cc1cccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2C)c1,5.09,4.74041223526001,0.1335449223214219,2242,2
OADMET-0004909,COc1ccccc1OCC(O)Cn1nnn(C2CCCC2)c1=O,5.15,4.614866161346436,0.07197077324844843,260,4
OADMET-0004908,CO[C@@H](C)c1nc(-c2cccc(S(=O)(=O)NC(C)C)c2)no1,5.58,4.990478420257569,0.09348159207695299,184,1
OADMET-0004907,CC(=O)Nc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1,4.76,4.114035892486572,0.09866268933652964,2241,3
OADMET-0004906,Cc1cccnc1NCc1nc(C(F)(F)F)n2c1CCCC2,5.1,4.927751731872559,0.09576411917358424,689,0
OADMET-0004905,CC(C)(C)c1cn(CCS(=O)(=O)Nc2ccccc2)nn1,5.08,5.445195198059082,0.05290110517164799,2240,4
OADMET-0004904,O=C1Cc2cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2N1,4.86,4.718931579589844,0.04185828588632195,672,4
OADMET-0004903,Cc1cccnc1C(=O)NS(=O)(=O)c1cccc(Cl)c1Br,4.51,4.041818332672119,0.11690716696191444,2239,0
OADMET-0004902,CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NC(CO)c1ccc(F)cc1)C2,4.98,5.357823276519776,0.06240770929994394,688,1
OADMET-0004901,Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C,4.66,4.810560703277588,0.13183836033135152,687,1
OADMET-0004900,O=C(c1ccccc1-c1ncn[nH]1)N1CCCCC1CCc1ccccc1,4.73,5.4910327911376955,0.030375002825256965,173,4
OADMET-0004899,CCc1nnc(NC(=O)C(C)C(C)NC(=O)c2ccc3sccc3c2)s1,4.73,4.896833801269532,0.12035523545966272,2238,1
OADMET-0004898,COc1cccnc1CNc1cc(C)c(C#N)c2nc3ccccc3n12,4.56,5.112893676757812,0.06753389455958364,2237,2
OADMET-0004897,O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(Cc2nnnn2-c2ccccc2)CC1,5.12,4.719165706634522,0.07004113318112914,11,3
OADMET-0004896,COC(=O)c1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)c1,4.77,5.231578922271728,0.10450061436238356,2236,3
OADMET-0004895,CCn1ncc2c(C(=O)NCc3coc(-c4ccccc4)n3)cc(-c3ccccc3)nc21,4.63,5.287045955657959,0.04981192955960395,2235,4
OADMET-0004894,CCn1cc(NC(=O)Cc2ccc(C)c(Cl)c2)c(C(N)=O)n1,4.73,4.692765998840332,0.08362665610031186,2234,0
OADMET-0004893,Cc1ccc(Br)cc1NC(=O)c1cnn2c1CC(CNC(=O)OC(C)(C)C)CC2,5.17,5.291617107391358,0.07299025859226838,2233,4
OADMET-0004892,Cc1ccc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc1-n1cnnn1,5.08,4.8404128074646,0.14624559276101515,2232,0
OADMET-0004891,Cc1ccc(S(=O)(=O)NCC(O)c2ccc(O)cc2)c(C)c1,4.7,4.710020542144775,0.08966668012966714,307,1
OADMET-0004890,O=C1CCC(c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)N1,4.66,5.373544979095459,0.07270660911575272,2231,1
OADMET-0004889,O=C(NCc1ccn(-c2ccccc2)n1)c1cc2cc(F)ccc2[nH]1,4.38,5.024144458770752,0.14810121263321382,31,3
OADMET-0004888,O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Sc1ccccc1,4.59,4.718406677246094,0.07935054026471718,249,1
OADMET-0004887,Cc1c(C(=O)N2C(C)CCS2(=O)=O)cnn1-c1ccccc1,5.02,4.773610591888428,0.12726830866295175,2230,3
OADMET-0004886,Cc1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)ccc1NC(=O)c1ccco1,4.25,3.9028646469116213,0.10257929959511597,2229,2
OADMET-0004885,CN(CCNc1ccccn1)C(=O)CCc1cccc(O)c1,4.72,4.320150375366211,0.10764849699567908,2228,3
OADMET-0004884,N#Cc1cc(F)ccc1N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,5.09,4.714362716674804,0.08797220242223523,686,0
OADMET-0004883,Cn1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1ccccc1Cl,4.76,4.800636291503906,0.031116665334206976,2227,4
OADMET-0004882,Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2ccc(C)n(C)c2=O)n1,4.49,4.828475475311279,0.08529373898118484,2226,0
OADMET-0004881,O=C1OCCN1c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F,4.42,4.846582126617432,0.09013992502329271,2225,1
OADMET-0004880,CC1(NC(=O)Nc2ccc3ccccc3n2)CCCOC1,4.93,5.071728801727295,0.1592823748663211,2224,2
OADMET-0004879,COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1csc(C)c1,4.86,4.586629009246826,0.03931594863163094,685,4
OADMET-0004878,O=S(=O)(c1ccccc1F)N1CC(Oc2ccccc2Cl)C1,4.72,5.291510581970215,0.05162524188322076,349,0
OADMET-0004877,O=S(=O)(Nc1ccn(-c2ncccc2F)n1)c1ccc(OC(F)(F)F)cc1,4.11,4.523304653167725,0.11711841832141896,2223,3
OADMET-0004876,O=C1NCC2(CCCC2)C(=O)N1CCc1ccc(F)cc1F,4.8,5.24510383605957,0.08708097263445093,2222,4
OADMET-0004875,Cc1ccccc1Nc1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)cs1,4.65,4.980444526672363,0.13143118182430363,2221,0
OADMET-0004874,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(-n2nccn2)nc1,4.89,5.084193420410156,0.11254434370679742,2220,1
OADMET-0004873,COC1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1,5.01,4.608028316497803,0.15632988193602154,306,3
OADMET-0004872,Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3CC34CC(O)C4)cc12,4.77,4.698507404327392,0.03570175661975971,2219,2
OADMET-0004871,O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)C1(c2ccccc2)CCC1,5.27,5.473369216918945,0.2048220817860407,2218,3
OADMET-0004870,CC1C(=O)N(CCc2cccc(C(F)(F)F)n2)C(=O)N1C1CCC1,4.79,4.780192470550537,0.10302755681537483,675,1
OADMET-0004869,C=CCNc1c(C(=O)N2CC3CC3C2)nnc2ccccc12,4.92,5.435189914703369,0.11751600100797835,2217,4
OADMET-0004868,CCc1ccccc1S(=O)(=O)NCC(=O)NC(C)c1ccccn1,4.71,4.977322292327881,0.09419455260916826,2216,0
OADMET-0004867,O=C(NCCc1ccc(O)c(CO)c1)Nc1ccc2c(c1)CCC2,4.05,4.223565101623535,0.15572591491989599,2215,1
OADMET-0004866,C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)nc1,4.51,4.713449478149414,0.11797859498391887,2214,2
OADMET-0004865,COC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C,5.37,5.051925468444824,0.09427025181019738,2213,3
OADMET-0004864,C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(C(F)(F)F)ns1,4.2,4.905066585540771,0.05730157419687797,2212,4
OADMET-0004863,Cc1ccc(CN(C(=O)c2ncc(F)cn2)C(C)C)cc1,4.9,4.9722981452941895,0.044453180011316346,2211,0
OADMET-0004862,CN(Cc1ccccc1)C(=O)N1CCC(Oc2ncccc2F)CC1,4.54,4.796045398712158,0.14182729695723173,684,2
OADMET-0004861,CC(C)c1ccnc(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)n1,5.52,4.681401348114013,0.05855841233103165,92,0
OADMET-0004860,O=C(CCC(=O)N1CCC(O)CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl,4.22,4.532028293609619,0.10061023553595709,2210,1
OADMET-0004859,CC(=O)N1CCCC(c2nc(-c3cccc(N4CCCC4=O)c3)cs2)C1,5.29,5.279050731658936,0.07035312562405188,683,3
OADMET-0004858,CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1,5.27,4.986035346984863,0.12445674683669852,161,2
OADMET-0004857,Cc1cc(NC(=O)C(c2ccccc2)N(C)CCCn2ccnc2)no1,4.97,4.276426219940186,0.07902275421802298,47,0
OADMET-0004856,Cc1cn(C(C)C)nc1NC(=O)Cc1cn2c(n1)CCCC2,4.49,4.326194953918457,0.11275700929038653,644,0
OADMET-0004855,Cc1cn(C(C)C)nc1NC(=O)c1cccn1Cc1ccncc1,4.97,3.876797914505005,0.10999228432869186,2209,0
OADMET-0004854,O=C1CCc2cc(-c3cccc(O)c3F)cc3c2N1CCC3,4.05,5.246418571472168,0.13790343761063148,2208,4
OADMET-0004853,COc1ccc2c(c1)OCCN(C(=O)Nc1ncc(C)s1)C2,4.37,4.705490779876709,0.06610418487688258,275,0
OADMET-0004852,COc1ccc(OC)c(C2CCCN2C(=O)CCc2nc(-c3nnc[nH]3)no2)c1,5.61,4.0747730255126955,0.07437202196854392,304,1
OADMET-0004851,COc1cc(F)c(NC(=O)N2CCOC(C)(c3ccccc3)C2)cc1F,4.86,4.532067966461182,0.10784082372183257,167,2
OADMET-0004850,COC1(CNC(C(=O)Nc2cc(C)on2)c2ccccc2)CCC(F)(F)CC1,5.0,4.823345565795899,0.14510535613710498,2207,3
OADMET-0004849,COC(=O)[C@@H](NC(=O)CN1CC(OC)C(C)(C)C1)C(C)C,4.3,4.084237670898437,0.2813159328170522,2206,3
OADMET-0004848,CC(C)n1ncc2cc(S(=O)(=O)N3CCN(C)CC3c3ccccc3)ccc21,4.81,4.9766432762146,0.1379261097925096,63,3
OADMET-0004847,COc1cccc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)n1,4.48,5.427026748657227,0.15134548915258647,682,3
OADMET-0004846,CCC(CC)n1nccc1C(=O)NCC(C)(C)c1ccc(C)cn1,4.95,4.955399227142334,0.1043218353763303,555,1
OADMET-0004845,Cc1nc2cc(N(C)C(=O)c3cc(-c4ccc(Cl)cc4)nn3CC3CC3)ccc2[nH]1,5.4,4.613390350341797,0.03426212221156389,2205,4
OADMET-0004844,COc1cccc(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)c1,5.37,5.456243515014648,0.15314708272138602,2204,0
OADMET-0004843,O=C(c1cn2ccccc2n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,5.24,5.874158096313477,0.11827694988711472,160,3
OADMET-0004842,CC(Cn1ncc2ccccc21)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1,5.11,4.62465009689331,0.07542448624583449,64,1
OADMET-0004841,COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1F,5.41,4.894401168823242,0.09649855068189683,2203,1
OADMET-0004840,OC1(c2nc(-c3cccc(OCc4cccnc4)c3)no2)CCCCC1,4.95,3.797700881958008,0.0762493345917396,2202,2
OADMET-0004839,Nc1nccc(C2CCCN(C(=O)c3coc(C4CCCCC4)n3)C2)n1,5.06,4.2746809959411625,0.14057851599178825,305,3
OADMET-0004838,CC(NC(=O)N1CCC(C2CCCC2)C1)c1nnc(C(F)(F)F)[nH]1,5.09,4.99503870010376,0.12800552003518462,665,3
OADMET-0004837,CN1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)C(c2ccccc2)C1,5.37,4.973788738250732,0.10994693249022963,63,3
OADMET-0004836,Cc1sc2nc(-c3cccnc3)nc(N3CCC(S(N)(=O)=O)C3)c2c1C,4.11,3.924525737762451,0.10263623374042576,2201,3
OADMET-0004835,CC(Sc1ncc(-c2ccccc2)n1CC1CCCO1)c1ncccn1,5.28,5.077000427246094,0.05470963100952175,2200,4
OADMET-0004834,CCC(CC)(CO)c1nc(-c2ccc(N(C)C)nc2)no1,4.64,4.484888172149658,0.11666248735798045,2199,0
OADMET-0004833,Cn1ncc2c1CC(C)(C)CN(C(=O)NCc1ccc(Br)s1)C2,5.21,4.775296211242676,0.16573604691301333,274,3
OADMET-0004832,COc1ccc(C(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)c2c[nH]c3ccccc23)cc1,4.81,5.155442810058593,0.17546262848496894,681,2
OADMET-0004831,FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nccs1,4.42,5.298424911499024,0.09308026498194799,2198,1
OADMET-0004830,CCOc1nc(C)ccc1C(=O)N1CCCC1c1csc(C)n1,4.67,4.837204647064209,0.10158922406717383,680,2
OADMET-0004829,CC1CN(c2nc3ccccc3nc2N2CCC(C(N)=O)C2)CC(C)O1,4.49,2.7148645877838136,0.15238221773990862,2197,2
OADMET-0004828,COc1ccc(C)cc1S(=O)(=O)N1CCN(C2CCOCC2)C[C@H]1C,4.46,4.656986904144287,0.06534563477139264,679,4
OADMET-0004827,Cc1cccc(S(=O)(=O)NC(c2c(C)nn(C)c2C)C(F)(F)F)c1,4.97,5.355426788330078,0.11732339004909288,2196,2
OADMET-0004826,Cc1cc(C2CCCN2C(=O)CCc2nc(-c3ccco3)no2)no1,5.03,4.639234161376953,0.14071932603141055,141,2
OADMET-0004825,Cc1ccc(-c2c[nH]cc2C(=O)NCC2(N3CCOCC3)CCCCC2)s1,5.3,4.733190059661865,0.16791043092457436,678,3
OADMET-0004824,Cn1cnnc1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1,4.13,5.17838306427002,0.10902320006066275,2195,4
OADMET-0004823,Cn1nc(C2CCCCC2)cc1NS(=O)(=O)CCc1ccccc1,4.24,5.028369998931884,0.07275961669178081,677,0
OADMET-0004822,CCc1nnc(N2CCC(C3(NC(=O)CNC(=O)OC)CC3)CC2)nc1CC,3.92,3.9918695449829102,0.09033300015336762,2194,0
OADMET-0004821,O=C1NC2(CCCCC2)C(=O)N1C1CCN(c2ccc(Cl)cc2Cl)C1,4.73,4.707331371307373,0.16014220653412856,2193,1
OADMET-0004820,CCCNS(=O)(=O)N1CCN(c2ccc(F)cc2OC)CC1,4.93,4.189907360076904,0.043748050743330366,2192,2
OADMET-0004819,COc1ccccc1N1CCC(NC(=O)NCc2ccc(C(N)=O)cc2)C1=O,4.63,3.9695578098297117,0.13661211575153273,2191,3
OADMET-0004818,Cn1c(C(=O)N2CCCC(S(C)(=O)=O)C2)c(Cl)c2ccccc21,4.88,5.17651596069336,0.06770604397453486,2190,4
OADMET-0004817,CC1(C(=O)NCC2(CO)CC3(CCC3)C2)CC(c2ccccc2)=NO1,4.78,4.586483478546143,0.11936657805610988,2189,0
OADMET-0004816,Cc1cc(S(=O)(=O)NCC2CCOC3(CCC3)C2)c(F)cc1F,4.64,5.557415390014649,0.14327608421977336,2188,1
OADMET-0004815,O=C(NCc1cccc(O)c1)c1sc2ccccc2c1Cl,4.8,5.222383308410644,0.07241241242095406,33,4
OADMET-0004814,CC1NC(c2nc(C3(c4ccncc4)CCC3)no2)=NN(c2ccccc2)C1=O,4.83,4.6266881942749025,0.1850053028096167,334,0
OADMET-0004813,COc1cccc(C2(NC(=O)NCc3c4c(nn3C)CCCC4)CCC2)c1,5.17,5.458347225189209,0.11253688070040116,2187,2
OADMET-0004812,CN(C)C(=O)c1cccc(NC(=O)CN2CC(O)Cc3ccccc32)c1,4.72,4.52232084274292,0.1307354256665796,2186,1
OADMET-0004811,COc1ccc(Cn2ccc(NC(=O)C3C4CCCC43)n2)cc1,4.76,4.597573375701904,0.10999864352514484,2185,2
OADMET-0004810,Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(n2ccnn2)CC1,4.49,4.449123477935791,0.13436763137504587,39,2
OADMET-0004809,CCn1ncc(C)c1NS(=O)(=O)CCc1cccc(F)c1,4.53,4.659752750396729,0.08611929488126854,676,4
OADMET-0004808,CC1CN(c2cccc(F)c2)CCN1C(=O)c1ccccc1-n1ccnn1,4.51,5.1657086372375485,0.12242394511730621,2184,3
OADMET-0004807,Cc1cccc(N(C)S(=O)(=O)c2cnn(C3CCC3)c2)n1,4.59,5.1359457015991214,0.08670227976287724,63,3
OADMET-0004806,COc1ccc(Cc2nc(-c3ccc(OC)nn3)no2)c(C)c1,4.11,4.130766868591309,0.12477775769043703,2183,1
OADMET-0004805,COCC1(O)CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)CC1,5.0,4.906904602050782,0.1766887241716025,2182,3
OADMET-0004804,CCc1ccc(NC(=O)CN2CC(=O)N(C)c3ccccc3C2)cc1,4.67,4.77426929473877,0.06444822838457402,2181,4
OADMET-0004803,COc1ccc2oc(C)c(C(=O)NCC3(N(C)C)Cc4ccccc4C3)c2c1,5.2,4.90292329788208,0.07334570243716636,2180,0
OADMET-0004802,Cc1cnn(CCC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1,4.67,4.185663080215454,0.12187158068030388,104,1
OADMET-0004801,CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(C)C1c1nccn1C,4.99,5.57366189956665,0.05370142131172292,2179,1
OADMET-0004800,CC(C)Cc1nc(C(=O)N2CC(O)CC2c2ccccc2)cs1,4.44,5.579485988616943,0.15039149397176724,2178,2
OADMET-0004799,O=C(c1ccnn1CC(F)F)N1CCCC1c1cccc(F)c1,5.38,5.215676879882812,0.09056234663679921,170,1
OADMET-0004798,COc1ccc(CCC(=O)N2CCCN(C(=O)c3coc(C4CC4)n3)CC2)cc1,4.63,4.832688903808593,0.1563955125776686,305,3
OADMET-0004797,CC(C)(C)c1nc(CCNC(=O)C(c2cccc(F)c2)N2CCOCC2)cs1,5.19,5.323770332336426,0.14590464269586495,2177,3
OADMET-0004796,Cc1nccc(N2CCN(c3cc(N4CCCC4CO)ncn3)CC2)n1,4.72,3.3473196506500242,0.2074857606246658,154,3
OADMET-0004795,Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)O)c2ccccc21,4.66,4.814424228668213,0.10995288448849747,2176,4
OADMET-0004794,Cc1noc(C)c1C(=O)N1CCCC1C(C#N)c1ccccc1,4.58,5.442759037017822,0.09378423066256877,639,0
OADMET-0004793,CCn1ncc(Cl)c1-c1nc(Cc2ccccc2OC)no1,4.66,5.039421653747558,0.06995914143962798,2175,0
OADMET-0004792,COCc1nocc1CN1CCC(=O)N(CC2CCCC2(F)F)C1=O,4.04,4.0864239692687985,0.11181493599082976,2174,1
OADMET-0004791,O=C(NCc1ccccc1C(F)(F)F)N1CCCN(C(=O)C2CC2)CC1,4.79,5.27006721496582,0.1159407205956645,62,4
OADMET-0004790,CCc1ccc(C2COCCN2C(=O)c2ccc(N3CCC(C)=N3)cc2)o1,5.31,4.6710539817810055,0.11236958844526922,2173,2
OADMET-0004789,COc1ccccc1[C@H](O)CNC1CCc2cc(F)c(Cl)cc21,5.06,5.315639209747315,0.1474786566056939,2172,3
OADMET-0004788,CC(NC(=O)NCC1CCOC1(C)C)c1cc(Cl)ccc1Cl,5.12,4.982996273040771,0.176682111371174,2171,4
OADMET-0004787,COc1cccc(C(C)C(=O)N2CCCC(c3cn(C)nn3)C2)c1,4.75,4.55089693069458,0.12193444701098223,2170,0
OADMET-0004786,Cc1cc(Cn2c(-c3ccccc3)nnc2N2C[C@H]3CCC[C@H]3C2)no1,5.01,5.150090312957763,0.14536240676578982,2169,1
OADMET-0004785,Cc1ccc(-c2nc(-c3cccnn3)n(CC(F)F)n2)cc1Br,4.37,5.152217388153076,0.12436836959376675,2168,2
OADMET-0004784,COC(=O)Cc1nn(C)c(C)c1-c1cccc(OC)c1OC,4.73,4.412854766845703,0.11818530219923785,2167,3
OADMET-0004783,Cc1ccc(S(=O)(=O)N(C)C(C)c2ccccn2)c(C)c1,4.91,5.29699010848999,0.09585001047007544,2166,4
OADMET-0004782,CCCC(C)c1cc(NS(=O)(=O)c2cncc(C(=O)OC)c2)[nH]n1,4.22,4.241511631011963,0.1287170670698671,252,2
OADMET-0004781,CC1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)C(=O)N1C1CCC1,4.7,3.9945684909820556,0.13896209805793802,675,1
OADMET-0004780,CC(C)c1nc(C(=O)Nc2ccccc2C(=O)O)nn1-c1cccc(F)c1,5.58,4.389116382598877,0.09958897422438727,2165,0
OADMET-0004779,CC(Sc1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1,4.93,4.544582080841065,0.13998598893010494,332,2
OADMET-0004778,CCCCO[C@H]1CC[C@H](NC(=O)c2ccn3c(C)cc(C)nc23)CC1,4.74,4.325912570953369,0.1266504757710297,2164,1
OADMET-0004777,CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2ccc3c(c2)CCO3)n1,4.93,5.708447647094727,0.148666828467742,2163,2
OADMET-0004776,Cc1noc(C)c1C(C)c1nc(CCCOc2cccc3ccccc23)no1,4.98,5.191952705383301,0.08498566964422766,2162,0
OADMET-0004775,CCc1cc(C(=O)NCCc2c(C)[nH]c3c(Cl)ccc(Cl)c23)cc(=O)[nH]1,5.16,4.760989570617676,0.14291952460787408,2161,4
OADMET-0004774,CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cccc(F)c1,4.72,5.36486930847168,0.12779172663660604,2160,4
OADMET-0004773,O=C1COc2c(NCCCOc3ccc(Cl)cc3)cc(Cl)cc2N1,4.76,4.542257499694824,0.10132347203126686,2159,0
OADMET-0004772,CC(C)n1ncc2cc(C(=O)N3CCOCc4ccccc43)cnc21,4.68,4.733953189849854,0.12894330959173056,2158,1
OADMET-0004771,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2Cl)CC1,4.63,3.4443211555480957,0.09646370165027217,159,4
OADMET-0004770,N#Cc1cccc(-n2nc(CCCO)nc2-c2ccc(Cc3ccccc3)cc2)c1,4.15,4.715073299407959,0.13548928773182545,2157,2
OADMET-0004769,Cn1c(=O)oc2c(C(=O)N[C@H]3c4ccccc4CC[C@H]3O)cccc21,4.76,4.537068462371826,0.10143753853519831,163,1
OADMET-0004768,CC1(C)CC(c2ccccc2)CN1C(=O)c1nnc(C2CC2)o1,4.58,5.017018985748291,0.12830343514746628,2156,3
OADMET-0004767,O=C(NC(c1ccccc1)c1ccc2[nH]cnc2c1)C1CCN(c2ccccc2F)C1,5.32,4.3461915969848635,0.05030615434628309,97,0
OADMET-0004766,Cc1ccc(C(C)NC(=O)CN2CCOC3(CCOCC3)C2)cc1C,3.97,4.705870723724365,0.13327954469797892,2155,4
OADMET-0004765,Cc1cc(NC(c2ccccc2)c2nnc[nH]2)cc(C)c1Cl,4.85,5.014231014251709,0.13793860712071518,668,1
OADMET-0004764,CN(C)C(=O)c1cnc(NCCOC2CCCCCC2)c(Cl)c1,4.95,4.351858520507813,0.1621058959237074,2154,0
OADMET-0004763,CC(c1nc(Cc2cccnc2)no1)N1CCc2ccccc21,4.91,4.9125732421875,0.07611479749846808,674,3
OADMET-0004762,O=C(NC1CC(F)(F)C1)NC1CCCOc2cc(Cl)ccc21,4.8,5.528269577026367,0.1448509819748869,60,4
OADMET-0004761,Cc1cc(C)cc(CNC(=O)NCC2CCCC(C)O2)c1,4.61,4.76259822845459,0.11659990140922614,2153,1
OADMET-0004760,Cn1c(=O)oc2cc(S(=O)(=O)Nc3cnc(C(C)(C)C)nc3)ccc21,5.27,4.8314916610717775,0.08759750914098666,673,4
OADMET-0004759,Cc1c[nH]c(=O)c(CNC(=O)NC(c2ccccc2)C2CCCC2)c1,4.96,4.9179308891296385,0.12921426324708793,2152,2
OADMET-0004758,O=C(Nc1cnn2cccnc12)C(=O)N1CCCCC1c1ccc(Br)cc1,4.96,5.515066146850586,0.13783411083172922,2151,3
OADMET-0004757,CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1,4.55,5.431547451019287,0.12569702072632033,2150,4
OADMET-0004756,Cc1cnn(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1,4.5,5.71138277053833,0.17062181719135755,2149,0
OADMET-0004755,Cc1cc(Cl)c(NC(=O)N2CCCC(C3CCCCO3)C2)cc1Cl,5.18,5.354549407958984,0.13552884040282118,287,4
OADMET-0004754,Cc1c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cccc1-c1ncco1,4.82,4.630200386047363,0.06427977042913681,672,4
OADMET-0004753,Brc1cccc2c1CCC2NCc1noc2c1COCC2,5.06,5.328620719909668,0.04505874975423818,319,4
OADMET-0004752,COc1ccccc1-c1nn(C)cc1C(=O)Nc1ncc(-c2ccccn2)s1,4.45,4.361645126342774,0.16822173508144037,149,1
OADMET-0004751,Cc1c(CNC(=O)c2cccc(-n3cnnn3)c2)oc2ccc(F)cc12,4.99,4.22533483505249,0.10685252905775053,76,2
OADMET-0004750,CCc1cc(S(=O)(=O)N2CC(OCCO)C2)c(C)cc1OC,3.92,4.614669990539551,0.22239005232254913,671,0
OADMET-0004749,COCC(C)c1nc(C2(c3ccc(C)cc3)CCOCC2)no1,4.26,4.807854461669922,0.11746545540426474,328,2
OADMET-0004748,Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]1c1ccccc1,5.11,5.191280174255371,0.13836580237614657,670,3
OADMET-0004747,O=C(NCc1nccn1CC(F)(F)F)c1cccc2c1OCC2,4.69,4.69020938873291,0.0888659484577621,158,4
OADMET-0004746,CCn1ccnc1-c1cn([C@@H]2c3cc(OC)ccc3CC[C@H]2O)nn1,5.04,4.7674332618713375,0.110749903233732,2148,1
OADMET-0004745,NC(=O)c1oc2ccccc2c1NC(=O)CCC=Cc1ccccc1,4.35,5.365468978881836,0.12924147434491523,2147,2
OADMET-0004744,Cc1ccc(Cc2noc(CC3CC(=O)Nc4ccccc43)n2)cc1C,4.4,4.7100225448608395,0.07875094554203277,2146,3
OADMET-0004743,COc1ccc(OC)c(C2CCCN2C(=O)C(C)S(C)(=O)=O)c1,4.97,4.600765323638916,0.062003358693269305,304,1
OADMET-0004742,Cc1cnc(-c2cn(CC3COc4ccccc4O3)nn2)c(C)c1,4.98,4.618791675567627,0.08251994916611503,2145,4
OADMET-0004741,Fc1ccc(-c2cn(C[C@]34C[C@H]3CCC4(F)F)nn2)c(Cl)c1,4.94,4.780685806274414,0.10270424993747627,2144,0
OADMET-0004740,CCOCCC1(CN(Cc2cc[nH]n2)c2ncnc(C)c2F)CC1,4.81,4.312920761108399,0.06381597330404758,2143,1
OADMET-0004739,O=S(=O)(Cc1cc(Cc2ccccc2)on1)c1ccccc1,4.77,5.417329597473144,0.1116183327494587,2142,2
OADMET-0004738,O=C(NCc1ccoc1)N1CCC(c2c[nH]c3ccccc23)CC1,4.31,4.108402109146118,0.09993564576556464,584,2
OADMET-0004737,CC(C)(C)n1cc(Cn2cc(Cc3ccccc3)nn2)cn1,4.78,4.788472080230713,0.12582167714138986,2141,3
OADMET-0004736,FC(F)(F)[C@@H]1C[C@H]1Cn1cc(-c2ccn(C3CCC3)n2)nn1,4.33,4.436308574676514,0.1492128457704956,2140,3
OADMET-0004735,O=S1(=O)CCC(c2csc(Cc3cccc4ccccc34)n2)C1,4.25,5.475058364868164,0.05094699923100076,2139,0
OADMET-0004734,Cc1nnc(-c2ccccc2C(=O)N(C)C2CCc3ccccc3C2)o1,4.61,4.637846183776856,0.04258271900807629,669,0
OADMET-0004733,CC1(C)CCC(O)(CNC(c2ccccc2)c2nnc[nH]2)CC1,4.23,4.687176513671875,0.13727123483843875,668,1
OADMET-0004732,CC(C)c1cccc(Nc2nc(C3COCCO3)cs2)c1,4.95,5.737018013000489,0.11467472751594783,2138,0
OADMET-0004731,CN1CCc2cc(NC(=O)CC3CCc4ccccc43)ccc2C1=O,5.25,5.3271815299987795,0.0773502333398002,667,4
OADMET-0004730,Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)C(=O)NCC4)c2)c1,5.33,4.936313533782959,0.09894048308171864,303,2
OADMET-0004729,CCC1CCC(CNC(=O)C2(Cc3cnn[nH]3)CCOCC2)CC1,3.95,3.5735002994537353,0.0850103203993695,2137,4
OADMET-0004728,Cn1cc2c(n1)CCCC2C(=O)N1CCCC(c2nnc3n2CCCCC3)C1,4.34,4.38939790725708,0.05223700109587566,2136,4
OADMET-0004727,Cc1csc(-c2cccc(S(=O)(=O)N3CCCC3CO)c2)n1,5.01,5.548797988891602,0.13883377791452017,436,2
OADMET-0004726,CS(=O)(=O)c1ccccc1N1CCCC1c1ccccn1,4.89,5.514476776123047,0.06282230946456345,2135,0
OADMET-0004725,CCC1CN(C(=O)NCc2noc3c2CCCC3)CC(CC)O1,4.38,4.859317493438721,0.17864132437946975,2134,1
OADMET-0004724,O=S1(=O)CCC(CNc2ccccc2OCC2CCCCC2)C1,4.43,5.801386547088623,0.22114478739396237,2133,2
OADMET-0004723,Fc1cc2cc[nH]c2c(F)c1-c1cnn(C2CCCCO2)c1,4.31,4.488281536102295,0.13373974808235045,2132,3
OADMET-0004722,CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2nnc3n2CCOC3)c1,4.49,4.944965362548828,0.12877067183459825,2131,4
OADMET-0004721,CN(C(=O)CCn1ccc2cccnc21)c1cccc2cc[nH]c12,5.41,5.012850761413574,0.05918510823024641,2130,0
OADMET-0004720,O=C(NCCNC(=O)c1cc(F)cc2cccnc12)c1ccc(O)cc1,4.59,3.859024667739868,0.211342782645848,666,2
OADMET-0004719,COc1cc(F)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1F,4.64,4.393868064880371,0.13499873830910752,273,2
OADMET-0004718,Cc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)oc1C,4.38,4.839549732208252,0.1111636365755169,2129,1
OADMET-0004717,CCC1CCCCC1OCC(=O)N(C)Cc1cnccn1,4.68,4.373680782318115,0.05873237224532474,2128,2
OADMET-0004716,O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1,4.29,3.8023893356323244,0.067622602356592,112,4
OADMET-0004715,CC(C)(C)N1CCC(NC[C@H](O)c2ccc(Cl)cc2)C1=O,5.04,5.153890895843506,0.13896584420288713,2127,3
OADMET-0004714,CC(C)(CNC(=O)NC1CCCNC1=O)c1ccccc1Br,4.41,5.052283859252929,0.06418044381989695,2126,4
OADMET-0004713,N#Cc1ccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1,3.82,4.855854034423828,0.06863871882628732,2125,0
OADMET-0004712,COc1cccc(C(OC)C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c1,4.39,4.960814666748047,0.07812095663559337,302,0
OADMET-0004711,Cc1ccccc1C1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)C(C)CO1,4.9,5.23535737991333,0.0904794748071793,2124,1
OADMET-0004710,CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1,4.56,4.009112215042114,0.09300458860347456,11,3
OADMET-0004709,C[C@H](NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccnc1,4.48,3.753030300140381,0.11518853538537013,2123,2
OADMET-0004708,CCOC1CC(O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C,4.97,4.823408031463623,0.08280325231426848,331,1
OADMET-0004707,CC(Cc1ccc2ccccc2n1)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1,4.93,5.791828727722168,0.12101031399728787,2122,3
OADMET-0004706,CC(NC(=O)[C@H]1C[C@@]1(C)c1ccccc1)c1nnc(C(F)(F)F)[nH]1,4.44,5.058850383758545,0.0998388551222119,665,3
OADMET-0004705,O=S1(=O)CCCC(Cn2cc(-c3ccc4c(c3)CCC4)nn2)C1,4.66,4.7744460105896,0.08619203602690385,2121,4
OADMET-0004704,CCC(=O)N(c1nnc(SCc2ccc(F)cc2)s1)C1CC1,4.75,5.94022569656372,0.11614401784805022,640,4
OADMET-0004703,CCCN(C(=O)Cc1ccc(F)c(Cl)c1)c1cccnc1,4.79,5.00835952758789,0.10929073084340465,2120,0
OADMET-0004702,Cc1nc(NCC2(C)CCCCC2O)cc(-c2ccccn2)n1,4.85,4.297244453430176,0.12782777533231376,2119,1
OADMET-0004701,CCOc1ccc(C2CCCN2C(=O)c2cccn2C)cc1,4.89,4.982927036285401,0.08987388056230927,2118,2
OADMET-0004700,Cc1ccccc1-n1c(C)nnc1SCCOc1ccc(C#N)cc1,5.36,4.594412231445313,0.05830345648837668,2117,3
OADMET-0004699,CC(C)(C(=O)N1CCC(COc2ccccc2)C1)c1cccnc1,5.04,4.927957248687744,0.18631131341033041,398,3
OADMET-0004698,O=C(Nc1cc(-c2ccccc2F)on1)[C@H]1C[C@@H]1C1CCOCC1,4.23,4.123498821258545,0.23677634862803512,2116,2
OADMET-0004697,CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1,5.03,4.52155122756958,0.061049797347536516,2115,1
OADMET-0004696,O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(F)c(Cl)c1,4.21,4.601521968841553,0.08514077783099837,664,3
OADMET-0004695,COc1cccc2sc(NC(=O)C3CCCOC3C)nc12,5.2,5.081182289123535,0.07781547172882197,301,3
OADMET-0004694,CCc1ccnc(C(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)c1,4.76,4.837601947784424,0.0842043847839963,300,0
OADMET-0004693,CC1(C)CC(C(=O)N2CCCn3nc(-c4ccccc4)nc32)C1,4.66,6.0564656257629395,0.054769862736164465,2114,0
OADMET-0004692,O=C(CCc1ccccn1)Nc1cnc2ccccc2c1,4.35,4.27889575958252,0.05141686697396832,211,2
OADMET-0004691,c1ccc2oc(C3CCCCN3Cc3nnc4n3CCCCC4)nc2c1,4.13,4.85159740447998,0.04190951423787601,2113,0
OADMET-0004690,Cc1cc(F)ccc1-c1nnc([C@@H]2CCCO[C@H]2c2ccnn2C)o1,4.79,4.3737953186035154,0.1172271759386278,2112,1
OADMET-0004689,C=C(C)C1OCCC1CNC(=O)N1CCCC1c1nc2cc(C)ccc2[nH]1,4.22,4.867422389984131,0.14050488439929526,155,2
OADMET-0004688,O=C1COc2cccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)c2N1,4.48,4.7710224151611325,0.11313026680850476,299,2
OADMET-0004687,CCC(C)(C)NC(=O)c1ccc(NC(=O)CC2OC(=O)c3ccccc32)cc1,4.05,5.3042350769042965,0.12926526148983838,2111,2
OADMET-0004686,CC(C)CC1C(=O)NCCN1S(=O)(=O)c1c(Cl)ccc(F)c1F,4.89,5.2732391357421875,0.1689419601923978,2110,3
OADMET-0004685,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CC(=O)N(C(C)C)C1=O,4.63,5.19368839263916,0.15278750964293772,663,2
OADMET-0004684,N#CC1(C2CCCC2)CCN(C(=O)C2CCNc3ccccc3C2)CC1,5.0,4.3509721755981445,0.03974390646227315,2109,4
OADMET-0004683,Cn1nnc2cc(C(=O)N3CCCC(n4ccc(C(F)(F)F)n4)C3)ccc21,5.31,4.290505123138428,0.06998838457560069,64,1
OADMET-0004682,Cc1cccc(CC(=O)NC2CCN(C3CCCCC3)C2=O)c1Cl,4.88,5.034847164154053,0.1448605623957793,99,3
OADMET-0004681,O=C1NCCCN(C(=O)c2cc[nH]c2C2CC2)C1Cc1ccccc1,4.84,4.839226722717285,0.14041261067640748,101,1
OADMET-0004680,CC(=O)N1c2ccccc2C[C@H]1c1nc(Cc2cc(C)on2)no1,5.15,4.701725101470947,0.05316127627565575,2108,0
OADMET-0004679,CCOC1CC(O)(CNc2nc(-c3cccnc3)nc3ccccc23)C1(C)C,5.23,4.9316911697387695,0.13779989330699657,2107,1
OADMET-0004678,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,5.08,5.0480273246765135,0.12071353695017549,2106,2
OADMET-0004677,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,3.93,3.5189215660095217,0.3026131697285529,2105,3
OADMET-0004673,Cc1cc(=O)oc2cc(OCC3CCNCC3)ccc12,4.78,2.858833646774292,0.1333785293625381,2104,4
OADMET-0004662,Cc1cccc(C(NC(=O)N2CCNC(=O)C2C)c2cccc(C)c2)c1,4.63,4.838629722595215,0.08494733741427593,2103,4
OADMET-0004653,COC(=O)c1cc(NC(=O)N2CC(C(F)(F)F)OC(C)(C)C2)cc2[nH]ccc12,4.72,4.376097869873047,0.15883995648973806,2102,1
OADMET-0004642,Cc1cnn(C2CCN(C(=O)c3cc(-c4ccccc4)no3)C2)c1,4.65,4.187876892089844,0.0793112959317159,40,1
OADMET-0004629,CN1CCN(C(=O)C(Cc2ccccc2)NC(N)=O)Cc2ccccc21,4.41,5.065802764892578,0.13022623957355128,256,0
OADMET-0004628,CN1CCOC(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1,4.15,4.244566154479981,0.16564493281438733,276,1
OADMET-0004625,c1ccc(OC[C@@H]2CCCN2c2nnc(-c3ccon3)s2)cc1,4.72,5.094109153747558,0.10094759782454711,262,1
OADMET-0004617,C[C@@H](NC(=O)N1CCc2cn[nH]c2C1)c1ccccc1Cl,4.99,4.529125690460205,0.10075372233680299,570,1
OADMET-0004611,CCn1ncc2c1CCCC2NC(=O)c1cc(C(F)(F)F)n(C)n1,4.66,4.531758975982666,0.061100221064347156,656,3
OADMET-0004605,CC(COC1CCOC1)NC(=O)c1n[nH]c2ccc(Cl)cc12,4.95,4.385088729858398,0.1376197868790159,2101,2
OADMET-0004590,CC(C)CC(Cc1ccccc1)Nc1ccc(P(C)(C)=O)cn1,5.48,4.807881450653076,0.18463941520496316,2100,3
OADMET-0004588,COc1ccc(CNC(=O)N2CCC(C)C(n3ccnc3)C2)cc1F,4.85,4.343518161773682,0.08300770497567124,662,4
OADMET-0004581,O=S1(=O)CCCC(c2cn(-c3ccc(Cl)cc3O)nn2)C1,4.76,4.2576700210571286,0.09645553573459185,138,3
OADMET-0004579,Cc1c(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n(C)c2ccccc12,4.65,3.738976335525513,0.047522258714048395,2099,4
OADMET-0004577,Cc1nc2ccnn2cc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1,4.8,3.751658058166504,0.09371371198142771,2098,0
OADMET-0004575,FC(F)(F)Oc1ccccc1-c1noc(C2(c3ccccc3)CC2)n1,4.36,5.632256412506104,0.10712899881383053,2097,1
OADMET-0004570,Cc1cc(C(F)F)n2ncc(C(=O)N3Cc4ccccc4[C@@H]3C)c2n1,5.04,5.664842891693115,0.10107993545508817,2096,2
OADMET-0004567,COC(=O)Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1,4.92,5.099670696258545,0.0866049908546382,265,0
OADMET-0004566,O=C(Cc1n[nH]c2ccccc12)N1CCc2cc(Cl)ccc21,4.71,4.9492748260498045,0.13474850101426553,659,1
OADMET-0004560,Cc1cccc(C)c1CN(C)C(=O)NCc1ncnn1-c1ccccc1,5.02,4.943190002441407,0.06380097844325876,61,0
OADMET-0004551,CN1CCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c2ccccc21,4.43,4.419423580169678,0.16064311916826005,264,1
OADMET-0004547,NC(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1Cl,4.12,4.260175895690918,0.12803459005825946,2095,3
OADMET-0004514,COc1ccc(C2CCCN2C(=O)c2nccc3occc23)cc1F,5.26,5.17503080368042,0.11486319245382008,497,1
OADMET-0004510,Cn1cc(C2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)cn1,4.78,4.21653299331665,0.1085438440370037,386,0
OADMET-0004498,Cc1ccc2c(c1)CCC2NS(=O)(=O)c1cnn(Cc2ccccc2)c1,5.18,5.508046054840088,0.07942374718619985,2094,4
OADMET-0004490,O=C(NCc1c(F)cccc1Cl)N1CCN(c2nnc(C(F)(F)F)s2)CC1,5.01,4.782499980926514,0.14872627794489862,661,0
OADMET-0004489,CC(C)(Cc1ccccc1)C(NCCc1cnccn1)c1nnnn1-c1ccc2c(c1)OCO2,5.41,5.016532516479492,0.10667435447775045,2093,3
OADMET-0004478,Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cnc1N,5.41,3.930900049209595,0.16214501920150703,157,1
OADMET-0004472,O=C(NCCNC(=O)c1cccc(-c2cccs2)n1)NC1CCCCC1,4.86,4.7231858253479,0.16587531842221429,660,1
OADMET-0004458,CC(C)COc1ccccc1NC(=O)c1ccc(C(N)=O)s1,5.18,5.029848861694336,0.08840251645272114,2092,4
OADMET-0004452,CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)c2ccc(F)cc21,4.89,4.954743194580078,0.13724280811277126,98,1
OADMET-0004444,CC(C)(C)n1cc(C(=O)Nc2cccc3c2C(=O)NC3)nn1,4.36,4.354797267913819,0.06437487567929093,2091,0
OADMET-0004442,Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(-c2coc3ccccc23)n1,4.7,4.115303230285645,0.11197699689044258,531,3
OADMET-0004440,O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1,4.97,5.146348476409912,0.07673995963453224,156,1
OADMET-0004439,COc1cc2cc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)[nH]c2cc1OC,4.2,4.723796272277832,0.1243702934338179,2090,3
OADMET-0004428,Cc1sc(C(C)NC(=O)CC2(C(=O)[O-])CCC2)nc1-c1ccc(Cl)cc1,4.61,5.01858081817627,0.1315018820973931,410,0
OADMET-0004419,CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5[nH]ccc5c4)ccc1c23,4.55,5.1739222526550295,0.05257941938574353,2089,0
OADMET-0004418,CC(=O)N1CCCN(c2ccc3ccc(Cl)c(C)c3n2)CC1,5.2,5.59996337890625,0.11048364133598282,638,1
OADMET-0004415,CCc1cc(NC(=O)N2CCN(CC(C)C)CC2)ccc1C,4.17,4.6775110244750975,0.1814993880412141,2088,1
OADMET-0004413,CC1Cc2ccccc2N1C(=O)C1Cc2cccnc2C1,4.66,5.414278507232666,0.08788295706553889,586,4
OADMET-0004402,Cn1nc(NC(=O)N2CCC(c3ccccc3)C2)c2ccccc21,4.66,4.865088176727295,0.12659804513949016,650,1
OADMET-0004396,Cc1ccc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c(C)c1,4.57,4.8088329315185545,0.07070731765068626,2087,2
OADMET-0004394,CNC(=O)CNc1cccc(-c2cn(Cc3cc4ccc(F)cc4[nH]c3=O)nn2)c1,4.1,3.8829331398010254,0.1142409861995299,519,2
OADMET-0004388,O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc2[nH]nnc2c1,4.24,3.860333776473999,0.12843380404076898,651,0
OADMET-0004379,C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1,4.78,4.289530181884766,0.17507518677506734,2086,3
OADMET-0004372,CC(=O)N(C)c1ccccc1NC(=O)c1cccc2cccnc12,4.82,5.126243591308594,0.06740801368260055,655,4
OADMET-0004349,Cc1sc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c(C(N)=O)c1C,4.1,4.792348384857178,0.06717871040844325,649,2
OADMET-0004348,N#CCc1ccc(NS(=O)(=O)c2cccc3ccncc23)cc1,4.55,4.721161270141602,0.022337219399071268,2085,4
OADMET-0004345,Cc1nc(-c2c(C)noc2C)sc1C(=O)Nc1cccc(-c2cn[nH]c2)c1,4.53,4.507962322235107,0.023431461406226192,2084,0
OADMET-0004332,N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1nnc(-c2ccncc2)[nH]1,5.42,4.2074387550354,0.15746088976278655,2083,1
OADMET-0004327,Cc1sc2nc(C(C)Nc3ccc4c(c3)NC(=O)CC4)[nH]c(=O)c2c1C,4.89,4.932380294799804,0.11570614667566291,2082,2
OADMET-0004321,O=C(NCC1CCCC2(CCC2)O1)Nc1cc2ccccc2nn1,5.11,4.877188968658447,0.1105238802184019,521,4
OADMET-0004315,COc1ccc(C(=O)Nc2ccccc2Cl)cc1C1CC1,4.04,5.026334476470947,0.1653974657877852,23,3
OADMET-0004313,COc1ccc2oc(C(=O)Nc3cnccc3Oc3ccccc3)c(C)c2c1,4.81,4.635259628295898,0.07022073195484857,2081,3
OADMET-0004305,CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(NC(C)=O)c(F)c2)n1,5.19,3.4956071853637694,0.11787218394674678,2080,4
OADMET-0004301,Cc1ccc2[nH]c(C(=O)Nc3cc(C(C)C)[nH]n3)c(C)c2c1,4.27,5.1588215827941895,0.08205637103298805,2079,0
OADMET-0004297,O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cc(F)ccc2F)on1,5.04,4.441859245300293,0.11485050075952066,2078,1
OADMET-0004296,CC(CNc1nc(-c2ccncc2)nc2ccccc12)S(C)(=O)=O,4.71,4.163239336013794,0.11935627030225768,532,4
OADMET-0004294,CC1COC(c2cccc(Cl)c2)CN1C(=O)Cc1n[nH]c2ccccc12,5.48,5.223852825164795,0.09379923811072416,659,1
OADMET-0004285,O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CCN(c2ccccc2F)C1,4.66,4.175662088394165,0.14507520489903605,97,0
OADMET-0004281,CNC(=O)c1ccc(OC)c(NCc2cccc(OC)c2)c1,4.85,4.202006244659424,0.02676739537779382,658,0
OADMET-0004280,CCC(=O)N1CCCC(C(=O)Nc2nc(-c3ccccc3)co2)C1,5.0,4.29570369720459,0.1426456043330154,2077,2
OADMET-0004279,O=C(Nc1nc2c(s1)COCC2)N1CCc2cccc(Cl)c2C1,4.63,4.814719867706299,0.12218297695090137,2076,3
OADMET-0004273,COC(C)c1noc(CN2CCCc3ccc(Cl)c(C)c32)n1,4.63,5.0533897399902346,0.050647870109430046,2075,4
OADMET-0004272,CCC(CC1CCCC1)c1nc(-c2ccncc2OC)no1,4.23,4.735014533996582,0.09013809203773838,2074,0
OADMET-0004270,Cc1ccc(-c2n[nH]c(NC(=O)CC3=CCCCC3)c2C)o1,5.08,4.5200700759887695,0.06912674272059781,2073,1
OADMET-0004267,CC(C)Oc1ccccc1-c1nc(-c2cnccn2)no1,4.3,4.497286605834961,0.12661737179986043,2072,2
OADMET-0004263,CCc1cnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1,4.98,3.7371596336364745,0.12252801910965566,312,4
OADMET-0004261,CC(C)n1ncc2c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccs3)nc21,5.0,4.403780746459961,0.05855349097776374,2071,3
OADMET-0004259,Cn1c(-c2ccc3ccccc3n2)nnc1N1CCOC2(CCCCCC2)C1,4.21,4.859002590179443,0.08331690986236609,657,2
OADMET-0004256,O=C(NCc1cc(F)c(Cl)cc1F)c1c[nH]c2ccccc2c1=O,5.3,4.349921226501465,0.07189857256889029,2070,4
OADMET-0004247,c1ccc(OC[C@@H]2CCCN2c2nccc3nccnc23)cc1,4.41,5.130605697631836,0.11862799666887533,262,1
OADMET-0004239,Cc1nc(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1,4.91,4.820647430419922,0.1538052900081091,2069,2
OADMET-0004238,Cc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3CC2CCCO2)s1,4.6,4.376385116577149,0.09380704793107146,2068,1
OADMET-0004237,CC(C)(C)n1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)nn1,4.4,4.8536125183105465,0.20402272298994545,2067,1
OADMET-0004225,OC[C@@H](NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1,3.99,4.683315944671631,0.1906871970410159,2066,2
OADMET-0004220,NC(=O)CNC(=O)c1cccc(NC(=O)c2cc3c(Br)ccc(Cl)c3[nH]2)c1,4.36,4.49355525970459,0.07055310172998808,2065,3
OADMET-0004216,CNC(=O)c1ccsc1NC(=O)N1CCOC(c2ccccc2)C1,4.24,4.372057342529297,0.07077491320217034,2064,4
OADMET-0004214,CCn1ncc2c1CCCC2NC(=O)c1ccc(F)c2cccnc12,5.24,4.705578804016113,0.06219442213688797,656,3
OADMET-0004210,C=C[C@H](CO)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1,5.06,4.7110391616821286,0.13564887330565767,2063,0
OADMET-0004207,Cn1cnc(-c2cccc(NC(=O)c3cccc4cccnc34)c2)n1,4.22,4.867751407623291,0.07501909047936924,655,4
OADMET-0004205,C[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CCN1,1.72,3.5255756855010985,0.11008306665197393,2062,1
OADMET-0004203,COc1cc(OC)nc(N2CCCC(c3nc4cc(C)ccc4[nH]3)C2)n1,5.07,4.921446418762207,0.17844349701557186,155,2
OADMET-0004193,Cc1cc(CC(C)Nc2ncc(F)c(-c3ccsc3)n2)n[nH]1,4.62,4.937238693237305,0.14911402262444629,2061,2
OADMET-0004187,CS(=O)(=O)CC(=O)N(CCc1ccccc1)Cc1ccccc1,4.73,4.91839714050293,0.10731281564541995,2060,3
OADMET-0004182,CN1CCOc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc21,4.9,4.981473636627197,0.05582230519555184,654,4
OADMET-0004180,CO[C@H]1C[C@H](CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1,4.85,5.595125770568847,0.06529766484840462,2059,4
OADMET-0004176,COc1ccc(-c2cc(C(=O)Nc3cn[nH]c3)c3ccccc3n2)cc1,5.07,4.994268226623535,0.10240262754396248,11,3
OADMET-0004172,CC(C)(CS(C)(=O)=O)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O,4.71,4.264261531829834,0.16188831133113252,2058,0
OADMET-0004170,NC(=O)CC1CCCCN1c1nc(-c2cc(F)cc(F)c2)ns1,5.47,5.296785736083985,0.08396654124072848,2057,1
OADMET-0004168,CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Cn3cncn3)c2)c1,4.79,4.730559921264648,0.06674880538612267,2056,2
OADMET-0004153,O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)NC1CC1,5.36,5.1782173156738285,0.09347677450476562,500,0
OADMET-0004129,COc1ccc(NC(=O)c2cc[nH]n2)c(OCc2ccccc2)c1,4.51,3.795815277099609,0.1560075182014702,23,3
OADMET-0004128,C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1,5.13,4.0703826427459715,0.10488200016179464,653,3
OADMET-0004116,Cc1cc(C)n2ncc(-c3noc(C4(c5cccnc5)CC4)n3)c2n1,5.66,4.894889163970947,0.1187931608383645,2055,3
OADMET-0004106,Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1nccs1,4.73,4.546428871154785,0.06500552792424187,2054,4
OADMET-0004105,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccnc1,5.18,5.050884819030761,0.12202750608625608,156,1
OADMET-0004101,O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1ncoc1C1CC1,5.57,4.814777374267578,0.10582555568607763,2053,0
OADMET-0004094,Cn1nc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1C1CC1,4.41,4.100380897521973,0.17825189618820186,652,2
OADMET-0004092,O=C(Nc1ccc2[nH]nnc2c1)c1csc2ccccc12,4.9,4.120270156860352,0.12925789162844595,651,0
OADMET-0004090,Cc1nc(N2CCc3ccc(F)cc32)c2cnn(C)c2n1,3.75,5.3241698265075685,0.06676325744591179,2052,1
OADMET-0004088,Cn1c(C(=O)NC2(c3nnc[nH]3)CCC2)cc2cc(C(F)(F)F)ccc21,3.99,5.002966594696045,0.1203251954151745,2051,2
OADMET-0004080,NC(=O)CCc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1,4.66,4.20356855392456,0.2049913184256084,2050,3
OADMET-0004069,COc1ccc2[nH]nc(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)c2c1,4.26,4.346920967102051,0.1322627960925082,333,1
OADMET-0004067,C=CCOc1cccc2[nH]c(C(=O)NCc3ncn(C(C)C)n3)cc12,4.82,4.492354965209961,0.10771927447626138,2049,4
OADMET-0004065,CC1CCCc2ncc(C(=O)Nc3nn(C)c4ccccc34)n21,4.77,4.67109956741333,0.0544921492957326,650,1
OADMET-0004064,Cc1ccc(C#N)c(N2CCCC(c3ccncc3)C2)n1,4.52,4.615994930267334,0.1669290373115628,2048,0
OADMET-0004060,c1n[nH]c([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)n1,4.92,4.32575159072876,0.137032195957765,2047,2
OADMET-0004056,CCC(CC)n1nc(C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1,4.92,4.081782007217408,0.1763992307253772,264,1
OADMET-0004054,C#CCC(Cc1ccccc1)Nc1ccc2nccnc2n1,4.87,4.843675708770752,0.17703215009627296,2046,1
OADMET-0004053,Cc1cccc(NC(=O)N2CCCC(c3nc4cc(C)ccc4[nH]3)C2)c1,4.86,4.5972747802734375,0.14345541020302063,155,2
OADMET-0004051,Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ncnn3-c3ccccc3)c12,4.6,4.831969356536865,0.04014849886229771,61,0
OADMET-0004047,c1ccc(-c2cc(CNc3ccccc3-n3cccn3)n[nH]2)cc1,5.05,4.766066551208496,0.08307336094920265,2045,3
OADMET-0004040,O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCC(O)(Cc2ccc(F)cc2)C1,5.28,4.472264957427979,0.08116958278493785,2044,2
OADMET-0004029,CC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1,4.45,4.309673881530761,0.1009896618051661,649,2
OADMET-0004025,C1=C(c2c[nH]c3ncccc23)CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1,4.55,3.3911831855773924,0.13449641807414006,648,3
OADMET-0004024,O=C(Nc1ccc2c(c1)CCO2)c1cccnc1OCc1ccccc1F,5.08,4.442197608947754,0.060527243904786844,2043,3
OADMET-0004021,Cc1ccc2sc(CNC(=O)c3csc(C(C)C)n3)nc2c1,5.2,5.560962677001953,0.03393432952611823,2042,4
OADMET-0004014,COc1ccc(OC(F)(F)F)c(C(=O)Nc2cc3c(cc2C)OCO3)c1,5.13,4.300920867919922,0.1407308281320299,647,1
OADMET-0004004,Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc12,5.15,4.548907661437989,0.10480692995045611,11,3
OADMET-0004003,O=S(=O)(CC1CCCO1)Nc1cc(C(F)(F)F)c2cn[nH]c2c1,5.12,5.146348190307617,0.18143693119327434,646,0
OADMET-0003997,CCCn1cc(NC(=O)c2ccc3c(Br)cnn3c2)cn1,4.29,4.034177494049072,0.07592837568616724,2041,0
OADMET-0003994,O=C(Cc1ccc(F)cc1F)NCc1ccccc1-c1cccnc1,4.3,4.516216468811035,0.023387239274629597,181,0
OADMET-0003975,O=C(Nc1cccc(OCC(F)(F)F)c1)c1cnn2c1CCCC2,5.04,5.378528785705567,0.07529617329695204,2040,1
OADMET-0003971,Cc1cccc2oc(C(=O)NCc3ccn(C4CCCC4)n3)cc12,5.0,4.991279411315918,0.05333594481604975,271,4
OADMET-0003969,CCn1c(=O)c(N2CCN(c3cc(C)ccn3)CC2)nc2ccccc21,5.04,4.748067855834961,0.08164160027740286,645,4
OADMET-0003963,CCc1cc(Nc2nc(C)nc3c2cnn3C)ccc1C,5.17,4.290528011322022,0.1568448075846395,2039,2
OADMET-0003961,O=C(Cc1cn2c(n1)CCCC2)N1CCc2ccc(F)cc21,4.41,5.049352931976318,0.0784378656434265,644,0
OADMET-0003960,Cc1nccc(N2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)n1,4.97,3.2378477096557616,0.22742257289426782,154,3
OADMET-0003956,NC(=O)c1n[nH]c2ccc(NC(=O)c3nccc4ccccc34)cc12,3.89,4.390964603424072,0.03743180468044805,526,4
OADMET-0003950,Cc1cc(N2CCCC(c3n[nH]c(-c4ccccc4)n3)C2)ncn1,5.05,4.03586778640747,0.1460783817312555,2038,3
OADMET-0003946,O=C(Nc1ccc2c[nH]nc2c1)c1csc(-c2ccccn2)n1,4.66,3.7939000606536863,0.12827506419386325,2037,4
OADMET-0003942,CN1CCOC(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)C1,5.44,3.861878204345703,0.21986662834547652,276,1
OADMET-0003932,COc1ccc(-c2nc(N3CCOCC3)cc3ccccc23)cn1,4.64,4.467879962921143,0.07636262369139085,2036,0
OADMET-0003930,COCCc1csc(-c2ccc(Oc3ccccc3OC)cc2)n1,4.9,4.399991893768311,0.1362569417036164,2035,1
OADMET-0003921,Cc1cccn2cc(-c3ccc(NC(C)c4cnn(C)n4)cc3)nc12,4.4,4.616888523101807,0.10621748721985157,2034,2
OADMET-0003914,O=C(NCc1nc2ccccc2s1)C(O)c1cc(Cl)cc(Cl)c1,5.16,4.872295951843261,0.09617825908686477,2033,3
OADMET-0003911,COc1nscc1C(=O)NCc1ccc(N2CCCC2)cc1,4.4,3.8364770889282225,0.09257958432575729,2032,4
OADMET-0003900,COc1ccccc1-c1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)s1,5.29,4.936078834533691,0.043049925847319065,2031,0
OADMET-0003898,Cc1cccc(-c2cncc(C(=O)N(C)c3cccnc3)c2)c1,4.85,4.1455567359924315,0.1091122231772939,643,1
OADMET-0003889,Cn1ccnc1-c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1,4.89,4.279913806915284,0.17387338918845444,2030,1
OADMET-0003884,COc1ccc(C(=O)NC(CNS(=O)(=O)c2cnn(C)c2)c2ccccc2)cc1Cl,4.58,4.47872314453125,0.1275367418219173,251,2
OADMET-0003879,O=C(COc1ccon1)Nc1ccc2c(c1)OC1(CCCC1)O2,4.21,5.365285873413086,0.12595404913876723,2029,2
OADMET-0003872,c1cc(-c2noc(-c3cn[nH]c3-c3ccc4c(c3)OCO4)n2)cs1,4.39,4.1760680198669435,0.09695801958192897,2028,3
OADMET-0003866,N#CC1(C(=O)Nc2ccc3c(F)n[nH]c3c2)CCCCC1,5.07,4.8694055557250975,0.166724338161368,2027,4
OADMET-0003864,Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OCC(F)F)cc1[N+](=O)[O-],4.92,4.727479934692383,0.11056093212170019,2026,0
OADMET-0003862,O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NC1CCc2[nH]ncc2C1,4.37,4.010757875442505,0.13649855390702667,2025,1
OADMET-0003860,CC(NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)c1ccc(OCC(N)=O)cc1,4.97,4.553030109405517,0.13221493103327503,2024,2
OADMET-0003858,O=C(NCC1C2Cc3ccccc3C12)c1cc2c(F)cccc2[nH]1,4.64,5.45421257019043,0.13634155457672317,2023,1
OADMET-0003857,Cc1ccc(C(=O)NC2CCc3ccccc3C2)cc1NS(C)(=O)=O,5.11,4.817027473449707,0.11988530547766935,2022,0
OADMET-0003853,Cc1cccc(-c2cncc(C(=O)Nc3ccccc3C(N)=O)c2)c1,4.92,4.43181619644165,0.11830175595097936,643,1
OADMET-0003848,COc1cccc2[nH]c(C(=O)NCC#CC3CCCCO3)cc12,4.07,4.642800998687744,0.1309174204096091,2021,4
OADMET-0003844,COc1cc(F)c(C(=O)Nc2cc(C)n(C3CCCCC3)n2)c(F)c1,4.54,4.86451826095581,0.1412708445212444,642,2
OADMET-0003835,COc1ccc(-c2cc(C(=O)NCc3nc4c(C)cccc4[nH]3)[nH]n2)cc1,3.9,4.28597354888916,0.09975652161080208,298,4
OADMET-0003834,CCc1nn(Cc2coc(-c3cccc(OC)c3)n2)c(=O)c(C#N)c1CC,5.26,5.120039272308349,0.0810699359160811,641,3
OADMET-0003833,CC(=O)N(c1nnc(SCCOc2ccc(Cl)cc2)s1)C1CC1,4.76,5.543807411193848,0.11244010362982466,640,4
OADMET-0003832,N#CC(c1ccccc1)C1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2,5.34,5.333887004852295,0.053992840467690394,639,0
OADMET-0003829,CCc1ncc(Br)cc1C(=O)Nc1cc(C(C)(C)F)on1,4.49,5.032017612457276,0.08210517627832851,2020,4
OADMET-0003828,COc1ccc(Cl)c2c1CCCC2NCc1nnc(C(C)C)[nH]1,4.77,4.893465518951416,0.15964657802631485,2019,0
OADMET-0003827,Cc1c(Cl)ccc2ccc(N3CCCC(c4ccn[nH]4)C3)nc12,4.17,5.7117961883544925,0.17354498572500496,638,1
OADMET-0003823,CC(C)(NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1)c1cccs1,5.02,4.765126419067383,0.1002094103163825,2018,1
OADMET-0003816,CCC1(CO)CCCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C1,4.83,5.151493644714355,0.0953397597208276,2017,2
OADMET-0003811,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,4.56,3.8118196964263915,0.11083842002020008,622,2
OADMET-0003810,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O,4.86,4.848434829711914,0.12866034769768614,2016,3
OADMET-0003809,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,4.67,4.700830459594727,0.08935508522596043,2015,4
OADMET-0003808,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,3.54,3.491442584991455,0.3576131887378316,2014,0
OADMET-0003807,CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O,4.92,4.78782377243042,0.23459893070156376,2013,1
OADMET-0003806,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,3.28,3.769342374801636,0.1840821113097814,2012,2
OADMET-0003805,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,4.42,3.7956700801849363,0.0936043007282168,2011,3
OADMET-0003804,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,4.4,5.050338554382324,0.23849516153177028,2010,3
OADMET-0003803,C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,3.27,3.7068326473236084,0.23008992550675395,2009,0
OADMET-0003802,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,4.61,3.006202793121338,0.15255643448236716,2008,1
OADMET-0003801,Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1,3.96,4.52584228515625,0.2706782120864976,2007,2
OADMET-0003800,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1,4.48,3.645786428451538,0.21688380923040246,2006,3
OADMET-0003799,CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O,5.88,5.201082420349121,0.06493728378895576,2005,4
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OADMET-0003797,CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,4.26,4.3419349670410154,0.11322732375073974,2003,1
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OADMET-0003790,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,3.27,5.2287548065185545,0.1559729709223592,296,0
OADMET-0003789,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,3.24,3.687376832962036,0.10044972966195864,632,1
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OADMET-0003787,CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,4.06,3.346342897415161,0.1514564633791742,630,4
OADMET-0003786,COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,2.92,4.675398635864258,0.11210060873126192,1999,3
OADMET-0003785,O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,2.02,5.373934650421143,0.07505960106936146,1998,4
OADMET-0003784,Cn1sc(Cl)cc1=O,2.59,2.8440989017486573,0.16145270637072504,1997,2
OADMET-0003783,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,4.86,5.463081169128418,0.09926868613431021,624,0
OADMET-0003782,Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1,4.17,4.3566488265991214,0.05352638104236115,213,3
OADMET-0003781,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,5.46,5.4792145729064945,0.516678128198256,636,2
OADMET-0003780,CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NN2CCN(C3CCCC3)CC2)C(=C4O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,6.22,4.458273315429688,0.24531976472997152,244,1
OADMET-0003779,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,4.67,5.043662261962891,0.08735595314651165,1996,4
OADMET-0003777,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,1.89,1.751939606666565,0.16108618959327764,1995,0
OADMET-0003775,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,3.06,4.363808250427246,0.11586443123912249,1994,1
OADMET-0003773,CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,4.85,3.6370219230651855,0.09523136197320155,1993,2
OADMET-0003772,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,1.78,3.5933433055877684,0.18698480586636854,1992,3
OADMET-0003771,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,2.51,2.0323402643203736,0.13102302148860212,93,0
OADMET-0003770,CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,3.79,3.472417879104614,0.15249465797974568,1991,4
OADMET-0003769,CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,4.12,4.441193103790283,0.2431329013339422,1990,0
OADMET-0003768,O=[N+]([O-])c1ccc(-c2ccccc2)cc1,2.54,3.112765169143677,0.12891882810178196,96,4
OADMET-0003767,COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,2.03,4.086956977844238,0.11267730209937063,1989,1
OADMET-0003766,Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,3.89,3.7841652393341065,0.14112203994386024,613,0
OADMET-0003765,O=c1[nH]cc(F)c(=O)[nH]1,2.79,1.7936965227127075,0.10613269590930068,1988,2
OADMET-0003764,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,3.94,3.284109354019165,0.23116447876795634,625,4
OADMET-0003763,Nc1nc(=S)c2[nH]cnc2[nH]1,1.79,2.7587316989898683,0.09352932488395398,1987,3
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OADMET-0003761,N=C(N)NCCN1CCCCCCC1,1.89,2.2915191650390625,0.13297719220819346,1986,4
OADMET-0003760,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,3.26,4.322041130065918,0.1473617067203644,1985,0
OADMET-0003759,Oc1c(I)cc(Cl)c2cccnc12,1.76,2.6150808334350586,0.060949772739090566,151,4
OADMET-0003758,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,5.11,4.384962177276611,0.03719527878794943,213,3
OADMET-0003757,CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,3.98,4.171282386779785,0.08697258566869974,635,4
OADMET-0003756,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,4.0,4.610443496704102,0.16081387042962725,634,2
OADMET-0003755,C/C=C/c1ccc(OC)cc1,1.87,2.588148307800293,0.2734947829638105,153,3
OADMET-0003754,CC=Cc1ccc(O)c(OC)c1,3.93,3.645758295059204,0.10799576077351493,82,4
OADMET-0003753,CCN(CC)C(=S)SSC(=S)N(CC)CC,1.76,4.069096183776855,0.2172965065509492,628,1
OADMET-0003752,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC,4.27,3.37437047958374,0.13812195687991233,1984,1
OADMET-0003751,CN(CCOP(=O)(O)O)C(=N)N,1.78,2.238298177719116,0.08995603114723527,1983,2
OADMET-0003750,Cc1cc(O)nc(S)n1,2.05,2.811388444900513,0.10056258061443173,1982,3
OADMET-0003749,[O-][n+]1ccccc1S,1.75,1.7969128370285035,0.030613000256628414,1981,4
OADMET-0003748,O=C(O)[C@@H](S)[C@@H](S)C(=O)O,2.01,2.330421495437622,0.08323827438440272,87,4
OADMET-0003747,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,5.28,4.860856437683106,0.0603857705527941,94,4
OADMET-0003746,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,3.89,3.3731585502624513,0.18422365025363566,1980,0
OADMET-0003745,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,2.69,3.168115472793579,0.13035537988591894,1979,1
OADMET-0003744,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,4.46,4.121895170211792,0.12285413344144354,1978,2
OADMET-0003743,O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12,4.78,4.18666706085205,0.14314035131316555,1977,3
OADMET-0003742,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12,2.13,3.9771447658538817,0.2202558365954052,1976,1
OADMET-0003741,CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,4.61,3.0306954383850098,0.14474560589908184,1975,0
OADMET-0003740,CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1,1.86,3.801914405822754,0.2890032352307103,1974,0
OADMET-0003739,CC(N)Cc1ccc(O)cc1,4.04,1.8827141046524047,0.06894608484768511,627,2
OADMET-0003738,COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,5.01,4.342744922637939,0.14617348336948835,1973,1
OADMET-0003737,Nc1c2ccccc2nc2ccccc12,5.21,3.962837266921997,0.11824677887129664,1972,2
OADMET-0003736,CN1C(=O)OC(C)(C)C1=O,2.69,3.1534616470336916,0.05106685526412122,1971,3
OADMET-0003735,Oc1c(I)cc(I)c2cccnc12,3.25,2.304167556762695,0.0552828322463422,151,4
OADMET-0003734,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,4.67,3.154098558425903,0.2580157217674756,633,2
OADMET-0003733,Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,3.2,3.857309579849243,0.17377488190894222,629,0
OADMET-0003732,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,4.98,4.813257789611816,0.08600333162664445,1970,4
OADMET-0003731,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,4.74,4.530699157714844,0.08649169709677196,10,1
OADMET-0003730,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,5.74,2.6029932498931885,0.08092903642976858,1969,0
OADMET-0003729,CNC1(C)C2CCC(C2)C1(C)C,2.93,3.6320478439331056,0.25886426806657625,1968,1
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OADMET-0003722,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,3.1,3.0058929920196533,0.14985953392459658,32,4
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OADMET-0003717,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,4.3,5.185259437561035,0.13116781937242955,292,1
OADMET-0003716,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,5.64,4.545407485961914,0.13439853845151326,1959,0
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OADMET-0003714,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,4.54,5.044202518463135,0.22142046809480792,623,1
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OADMET-0003710,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,4.4,4.890703868865967,0.05715462527506855,1955,4
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OADMET-0003705,CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O,1.83,2.5411821842193603,0.06888262371969095,631,3
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OADMET-0003703,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1,4.49,4.319132614135742,0.20961175292395098,616,2
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OADMET-0003588,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,5.18,5.081476306915283,0.08724346050010613,1889,0
OADMET-0003587,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,5.14,4.866449546813965,0.13791190851827453,619,4
OADMET-0003586,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.77,3.4814898490905763,0.1092066187088133,614,4
OADMET-0003585,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,1.74,3.10278525352478,0.13050227837378434,1888,1
OADMET-0003584,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,4.43,4.2140703201293945,0.2644053946711837,1887,2
OADMET-0003583,C#CCN(C)Cc1ccccc1,2.59,3.788301706314087,0.21331247283251603,618,0
OADMET-0003582,COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,1.79,3.446495246887207,0.12188324750720367,617,1
OADMET-0003581,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C,2.04,3.9874280452728272,0.29688574769753534,1886,3
OADMET-0003580,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,4.81,4.38390417098999,0.16957205318517266,616,2
OADMET-0003579,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,2.45,3.3341100215911865,0.08633748075197162,1885,4
OADMET-0003578,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,1.79,2.0065144300460815,0.03316959963640858,93,0
OADMET-0003577,CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,4.42,4.152334356307984,0.09681337289772722,1884,0
OADMET-0003576,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,5.18,4.178387832641602,0.12188370125082436,1883,3
OADMET-0003575,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,4.18,4.926504230499267,0.13979754002880998,1882,2
OADMET-0003574,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,2.36,2.939783239364624,0.11632508368730628,297,0
OADMET-0003573,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,4.52,3.2101351737976076,0.20833708872638032,294,2
OADMET-0003572,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,1.82,3.162119674682617,0.2043322605550465,1881,2
OADMET-0003571,CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,2.24,3.9851627349853516,0.17983916035808367,293,3
OADMET-0003570,CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12,4.65,4.095074701309204,0.18092577632773427,615,3
OADMET-0003569,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.75,4.299886035919189,0.07549381588162542,614,4
OADMET-0003567,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,5.24,4.903957653045654,0.12447977951757819,1880,3
OADMET-0003566,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,4.68,4.098098373413086,0.13836791040783208,613,0
OADMET-0003565,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,1.96,2.2105349779129027,0.1286066773269887,1879,4
OADMET-0003564,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,4.84,6.130684280395508,0.036301134524744795,94,4
OADMET-0003563,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,6.09,6.363144111633301,0.18545258725406302,160,3
OADMET-0003562,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,5.42,4.635154819488525,0.037937816744919514,150,0
OADMET-0003561,c1ccc2[nH]c(-c3cscn3)nc2c1,2.11,4.240020847320556,0.135386587665076,1878,0
OADMET-0003560,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,3.0,2.2382494449615478,0.12539870664500055,1877,1
OADMET-0003557,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,4.69,4.674655151367188,0.16493459466389662,1876,2
OADMET-0003556,O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,3.98,3.4888048648834227,0.15765126493278375,72,1
OADMET-0003555,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,4.0,3.433656358718872,0.14929214669578464,150,0
OADMET-0003554,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,4.71,4.1019275188446045,0.23570921499823108,1875,3
OADMET-0003553,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,4.12,4.800347900390625,0.10361263320669044,150,0
OADMET-0003552,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,4.24,3.6030666828155518,0.1546486733302841,150,0
OADMET-0003551,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,4.94,5.02699613571167,0.06512232429699018,1874,4
OADMET-0003550,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,5.25,4.84226131439209,0.13674493869102247,1873,0
OADMET-0003549,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,4.18,3.6742027759552003,0.1682934803514792,1872,1
OADMET-0003548,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,4.18,3.0097154140472413,0.16069335815304592,1871,2
OADMET-0003547,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,4.75,4.062930536270142,0.14703844019079987,292,1
OADMET-0003546,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,4.34,4.073955965042114,0.1053186720287695,612,1
OADMET-0003545,O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1,4.6,4.923618030548096,0.2253826216520003,1870,3
OADMET-0003544,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,4.7,4.180877256393432,0.11607539389939077,611,2
OADMET-0003543,CNC[C@H](O)c1cccc(O)c1,1.82,2.938235569000244,0.2564152420368815,1869,4
OADMET-0003542,Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2,5.69,4.263947677612305,0.07655062479997202,610,0
OADMET-0003541,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,2.92,3.3709703922271728,0.04103892924705903,1868,0
OADMET-0003540,CNC(C)Cc1ccccc1OC,2.09,3.8460023403167725,0.19298094650589664,7,3
OADMET-0003539,CNCCc1ccccn1,2.38,2.604237413406372,0.10877944014695858,478,3
OADMET-0003538,NCc1ccc(S(N)(=O)=O)cc1,2.57,2.1416679859161376,0.15014716072799114,88,2
OADMET-0003537,CCOC(=O)N1CSCC1C(=O)O,1.77,2.0064623832702635,0.11193537863125409,609,3
OADMET-0003536,Cn1c(Cc2cccs2)nc2cc(C(=O)N3CC(Cc4ccc(F)cc4F)C3)ccc21,5.82,4.656056308746338,0.1441624100760567,1867,1
OADMET-0003535,CC1C(=O)Nc2cc(-c3nc(-c4ccc(N5CCCC5)nc4)no3)ccc2N1C,2.62,4.704630279541016,0.08109401665557646,511,3
OADMET-0003534,Cc1cc(F)c2c(c1)NC(C(=O)NCC1CC13CCSCC3)C2,5.66,5.263578987121582,0.14517085680235856,1866,2
OADMET-0003533,CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)cc1,5.58,5.5111205101013185,0.13395392825047633,591,3
OADMET-0003532,CCN(CC)C(=O)CSc1nnc(-c2cc(Cl)ccc2OC)[nH]1,5.62,4.829322433471679,0.14525509024513855,1865,3
OADMET-0003531,Cc1ccccc1-c1noc(C(C)N2CCCC2c2c(C)nn(C)c2C)n1,5.91,4.530740070343017,0.07298908913934196,1864,4
OADMET-0003530,CC(C)(C)[C@@H]1OCC[C@H]1c1noc(C2OCCc3ccccc32)n1,5.6,5.442423725128174,0.1614922794966983,280,0
OADMET-0003529,CN(C(=O)C1(c2c(Cl)cccc2Cl)CCC1)[C@H]1C[C@@H](C(N)=O)C1,5.74,5.338558197021484,0.19192395290062653,1863,0
OADMET-0003528,Cn1ncc2ccc(CNc3ncnc4ccc(F)cc34)cc21,1.91,2.8545101165771483,0.17598005619810048,502,1
OADMET-0003527,COc1ccc2c(-c3ccccc3)c(C(=O)NC(C)C)oc2c1,5.005,5.46015682220459,0.14714163986871942,581,1
OADMET-0003526,Cc1cc(F)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)Nc2ccccc2)n1,6.63,5.034522914886475,0.09418519369369419,1862,1
OADMET-0003525,Cc1cc(NCc2ccccc2OC(C)C)cc(C(N)=O)c1,5.42,5.9422942161560055,0.0636969008544638,1861,4
OADMET-0003524,Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,5.92,5.471224212646485,0.12201572514153111,277,2
OADMET-0003523,Cc1cccc(-c2cncc(C(=O)N3CCc4ccc(S(=O)(=O)N5CCCC5)cc43)c2)c1,5.38,5.380113792419434,0.04699157643312137,608,4
OADMET-0003522,Cc1n[nH]c2ccc(-c3cc4n(c3)C(C3CC3)CNC4=O)cc12,1.73,3.798894929885864,0.19185214671867712,574,3
OADMET-0003521,CCOc1cccc(NS(=O)(=O)c2ccnn2C2CCC2)n1,4.79,5.131466960906982,0.08803817021516717,583,1
OADMET-0003520,CCn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1Cc2ccccc2C(c2ccccc2)C1,5.49,5.1032451629638675,0.12632429832905423,1860,2
OADMET-0003519,Cc1ccc(S(=O)(=O)Nc2cccc3nccnc23)cc1Cl,5.12,4.968961524963379,0.1461321441961376,1859,2
OADMET-0003518,COCC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(C)O1,5.25,4.877755546569825,0.14039445153108385,1858,1
OADMET-0003517,Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1,4.91,4.8184527397155765,0.15996704298303993,1857,0
OADMET-0003516,CC(=O)NC1Cc2ccccc2N(Cc2c[nH]nc2-c2ccc(C)o2)C1,5.29,4.610784530639648,0.061539022238999895,1856,1
OADMET-0003515,CC1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1c1ccccc1,5.14,5.121138286590576,0.11889331867165301,1855,2
OADMET-0003514,COC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1,5.35,5.151704216003418,0.11334851900171605,1854,3
OADMET-0003513,CNC(=O)Cn1ccc2ccc(NC(=O)C3(c4cc(F)cc(F)c4)CCCC3)cc21,5.66,4.9540454864501955,0.04004580689102051,1853,4
OADMET-0003512,CCc1cccc(C)c1NS(=O)(=O)c1cn(C(C)C)cn1,5.89,4.82026948928833,0.11010609790151117,144,4
OADMET-0003511,COCCN(C1CC1)S(=O)(=O)c1cccc2ccn(C)c12,5.55,5.5662257194519045,0.13418275217883924,1852,0
OADMET-0003510,CCc1c(C(=O)NC2(CNC(=O)C3COC(C)C3)CCCC2)oc2ccccc12,5.2,5.0951722145080565,0.14601741433161705,1851,1
OADMET-0003509,N#Cc1ccnnc1N1CCCC(c2c[nH]c3ncccc23)C1,2.94,2.8717034816741944,0.15612026941426144,1850,2
OADMET-0003508,CC(C)(C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1cccc(Cl)c1F,5.23,5.00136022567749,0.13851042720443243,1849,3
OADMET-0003506,COc1nccc(C(=O)N2CCCCC2Cc2ccccc2F)n1,5.14,5.36156063079834,0.08592955747946722,147,1
OADMET-0003505,O=C1CCCN1Cc1ccc(Nc2nccc(Oc3ccccc3)n2)cc1,5.74,4.644590759277344,0.09095269359322453,1848,4
OADMET-0003504,O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCC(c1ccccc1)N1CCOCC1,5.58,4.502202129364013,0.13677825986475262,558,0
OADMET-0003503,Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCSCC(C)C3)c12,6.140000000000001,6.022995567321777,0.1961830027700318,1847,0
OADMET-0003502,Cc1cc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)o1,5.35,4.446881580352783,0.1409061957678133,1846,1
OADMET-0003501,Cc1c(CNS(=O)(=O)c2cocc2Br)noc1-c1ccccc1,5.23,5.277447032928467,0.11865153460675297,1845,2
OADMET-0003500,O=C(NCc1cc2ccccc2o1)C1(Cc2ccc(F)cc2)CCOCC1,5.24,5.172367286682129,0.1041386462501968,1844,3
OADMET-0003499,COc1ccccc1-n1ncc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)c1C,6.215,5.543530654907227,0.07630428841730622,1843,4
OADMET-0003498,O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,5.39,4.340725898742676,0.13727217817068985,607,1
OADMET-0003497,COc1cccc(OCCN2CCN(C(=O)c3scnc3C(C)(C)C)CC2)c1,2.95,4.178271102905273,0.13019621056289818,1842,0
OADMET-0003496,COc1cccc(C2(CNC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)CCCC2)c1,5.77,5.147446727752685,0.04798658098410498,1841,1
OADMET-0003495,COc1cccc(CC2CCN(C(=O)Nc3ccnc(C)n3)CC2)c1,3.42,3.6564916610717773,0.04863972272903379,1840,2
OADMET-0003493,CC(NC(=O)c1ncsc1Nc1ccccc1)c1ccc(NC(N)=O)cc1,5.42,3.8721230030059814,0.20142997633999601,1839,3
OADMET-0003492,CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCCC(C)C1,5.47,5.473267936706543,0.08166598070432406,1838,4
OADMET-0003491,CC1(C)CN(S(=O)(=O)CCn2cnnn2)C1c1ccccc1,4.98,3.886121892929077,0.15069038906127927,1837,3
OADMET-0003490,Cn1nccc1S(=O)(=O)N1Cc2ccccc2C(c2ccccc2)C1,5.57,5.35607271194458,0.12113446280384202,1836,2
OADMET-0003489,CNC(=O)CC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2NC2CCC2C2CC2)CC1,5.3,4.928045558929443,0.08770313163334155,1835,1
OADMET-0003488,CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C2CC2)n(C)n1,5.37,4.966067123413086,0.13301814380547236,272,0
OADMET-0003487,CN1CCN(S(=O)(=O)c2cc3ccccc3o2)C(c2ccccc2)C1,4.94,5.452617359161377,0.1350671845026795,63,3
OADMET-0003486,Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)c3cccnc3)ccc2C)c(C)c1,5.880000000000001,5.374448204040528,0.14548474122835142,1834,1
OADMET-0003485,Cc1cc(F)cc2c1N(S(=O)(=O)c1n[nH]c3ncccc13)CCC2,5.57,5.1300359725952145,0.11674096883790716,1833,2
OADMET-0003484,O=C(NCc1ccccc1N1CCCC1)c1occc1COc1ccccc1,5.39,5.462630939483643,0.05679912116803747,606,0
OADMET-0003483,Cc1cccn2cc(CC(=O)NC3CCCOc4cc(F)ccc43)nc12,5.45,5.238248825073242,0.03697615264808527,60,4
OADMET-0003482,CCS(=O)(=O)N1CCC(C(=O)N2CC(C)(C)C2C(C)C)CC1,5.43,4.845946979522705,0.2242744554725889,1832,3
OADMET-0003481,O=C(NCC1(c2ccccn2)CCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1,5.38,5.242336940765381,0.06955819844939186,507,1
OADMET-0003480,O=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn(C2CCOC2)c1,5.33,4.962815666198731,0.07020310611477033,1831,4
OADMET-0003479,O=S(=O)(Nc1cnc2c(c1)CCC2)c1ccccc1C(F)F,4.92,5.42216386795044,0.12430049173275168,299,2
OADMET-0003478,O=C(Cc1cccc(F)c1)NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1,1.83,2.986763620376587,0.07446399579326675,1830,0
OADMET-0003477,Cc1ccc(NC(=O)C2CCCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2)nc1,5.9,5.370104217529297,0.0955146332648859,1829,1
OADMET-0003476,COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1,4.79,4.585760498046875,0.08650003164101534,149,1
OADMET-0003475,Cc1ccc(CNc2nc3ccccc3n2C(C)C)nc1,4.9,4.641085052490235,0.10981722619509109,1828,2
OADMET-0003474,CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CC(C)(C)C1c1ccccc1,5.89,5.9532369613647464,0.12032599575664868,291,4
OADMET-0003473,CSc1ccnc(N2CCCC(C)(CNC(=O)C3(C)CCC3)C2)n1,5.98,5.716554164886475,0.2750267856607051,1827,3
OADMET-0003472,CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1OCC,6.015000000000001,5.374071502685547,0.16597691592579625,142,3
OADMET-0003471,Cc1cc(NC(=O)CCc2c[nH]nn2)cnc1N1CCCCC1C,5.4,5.226864910125732,0.03622158690788362,1826,4
OADMET-0003470,Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCOCC3(CCCC3)C2)cc1,5.82,4.713539123535156,0.10669942605679275,140,0
OADMET-0003469,CCCC(C)c1cc(NS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)[nH]n1,4.82,4.743055057525635,0.06303633622622258,252,2
OADMET-0003468,CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C#N)c(SC)[nH]c1=O,1.85,4.315618324279785,0.10948356168939721,595,1
OADMET-0003467,CC(C)N(C)c1ccccc1NS(=O)(=O)c1cnn(C2CCC2)c1,6.494999999999999,5.750402164459229,0.12110494408832662,63,3
OADMET-0003466,CC1CN(C(=O)NCC2CCOc3ccccc32)Cc2ccccc2O1,5.3,5.042280960083008,0.12503507615580198,290,2
OADMET-0003465,Cc1nc(C(=O)NC(C)C(C)(C)c2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1,5.54,5.600090789794922,0.1114310670405709,1825,0
OADMET-0003464,COc1ccc(C(NC(=O)N2Cc3ccccc3C2)C2CC2)cn1,5.16,4.877715587615967,0.10500892314530363,107,0
OADMET-0003463,C[C@H]1C[C@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)c2ccsc2S1(=O)=O,5.14,5.278503036499023,0.10894478014252067,1824,0
OADMET-0003462,CCC1CCc2nc(NC(=O)c3c(C)nn(C)c3-n3cccn3)sc2C1,4.92,5.0899735450744625,0.06830438755343164,1823,2
OADMET-0003461,CNC(=O)CCOc1ccc(Nc2ncnc3ccsc23)cc1,1.76,2.195734071731567,0.08933748113189,1822,3
OADMET-0003460,CN(C)C(=O)[C@@H]1CCCN1c1nc(-c2ccccc2C(F)(F)F)cs1,5.555,5.096235084533691,0.14573010200504993,1821,4
OADMET-0003459,Cc1cc(C)cc(-c2nnc(NC(=O)N3CCNC(=O)C3C(C)C)s2)c1,5.04,4.589007091522217,0.15753646440997698,1820,0
OADMET-0003458,Cc1nc(NCc2ccc(N3CCOC(C)C3)nc2)c2c(C)csc2n1,2.05,3.761311960220337,0.14994198564691644,1819,1
OADMET-0003457,CCn1ncc2c(=O)n(CC3CCC(c4ccccc4)CC3)cnc21,5.25,4.5067909240722654,0.08402721294460601,1818,2
OADMET-0003456,Cc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)n(C)n1,1.79,3.123445987701416,0.11030879956188912,1817,3
OADMET-0003455,O=C(NCc1ncc[nH]1)C1(c2cccc(Br)c2)CCCCC1,5.47,4.916339588165283,0.050672128941014666,1816,4
OADMET-0003454,Cn1cc(-c2ccc(C(=O)N3CCCC(n4ccnn4)CC3)o2)cn1,1.78,3.2151926040649412,0.14511694121267993,39,2
OADMET-0003453,O=C(NCc1ccc2occc2c1)NC1CCCc2cn(C3CCCC3)nc21,5.28,5.121320533752441,0.10906300620849312,172,0
OADMET-0003452,CC(C)c1[nH]ccc1C(=O)NC1COc2c1ccc(Cl)c2Cl,5.67,4.917565059661865,0.06646470172538883,1815,0
OADMET-0003451,COC1(C(=O)NC2CCN(c3ccccc3OC(F)F)C2)CCCCC1,5.66,5.456326961517334,0.11256736732710515,65,4
OADMET-0003450,Cc1ccc(F)c2c1CCCN2C(=O)c1nc(-c2cnn(C)c2)oc1C,5.28,5.043821620941162,0.10573509635002475,605,1
OADMET-0003449,CC(C)(C)c1ncc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cn1,5.57,4.6169023513793945,0.07778786971112711,542,2
OADMET-0003448,O=C(NCc1cccc(CO)c1)N1CCCC1Cc1ccc(F)cc1,5.01,4.851230525970459,0.12908350436681051,363,3
OADMET-0003447,CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCCN(S(C)(=O)=O)C1,5.49,5.164420413970947,0.0747689406897314,1814,4
OADMET-0003446,Cc1csc(C(C)(C)NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n1,5.35,5.477793216705322,0.09084616426659471,1813,0
OADMET-0003445,CC(C)C(Cc1ccc(F)cc1)N(C)C(=O)Cc1ncccc1F,5.21,5.427254390716553,0.14701598922853634,1812,1
OADMET-0003444,Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(C(N)=O)co2)n1,2.55,4.083261299133301,0.1491601438297709,1811,4
OADMET-0003443,O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCCC(OCCO)C1,2.49,3.573214054107666,0.14230675566132847,1810,1
OADMET-0003442,Cc1cccc(S(=O)(=O)N2CC(c3ccccc3)OCC2(C)C)c1C#N,6.325,5.942633056640625,0.20660897469893078,1809,2
OADMET-0003441,COc1ccc(CNC(=O)N2CC3(CC=CC3)C2C(C)C)cc1OC(F)F,5.75,6.263354682922364,0.16203221672059548,1808,3
OADMET-0003440,O=C(NC(Cc1ccccc1)c1ncco1)N[C@H]1CCC[C@@H](C2CC2)C1,5.49,5.080369472503662,0.09002012838116653,1807,4
OADMET-0003439,Cc1cc(Cl)cc(C(=O)N(C(C)CS(C)(=O)=O)C2CC2)c1,5.33,5.424687099456787,0.13934568526045266,1806,0
OADMET-0003438,Cc1cccc(Cl)c1S(=O)(=O)Nc1cc2n(n1)CCCC2,6.0,5.341453266143799,0.1401022273664869,604,2
OADMET-0003437,CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc3CC2)cn1,5.955,5.143503093719483,0.08818344269306194,1805,1
OADMET-0003436,Cc1cccc2c1N(C(=O)CCc1nc(C3CCCC3)no1)CCC2,5.859999999999999,5.288316059112549,0.14894068839127222,1804,2
OADMET-0003435,CC(C)C1CCc2ccccc2N1C(=O)c1csc(-c2cnn(C)c2)n1,5.56,5.557654857635498,0.16062869221374013,289,2
OADMET-0003434,CC1CCCN(c2cc(C(=O)N3CCCc4cc(C#N)ccc43)ccn2)C1,6.01,5.3531646728515625,0.09208053972430312,1803,3
OADMET-0003433,CCN1c2ccccc2N(CC(=O)N2CCCc3ccccc32)S1(=O)=O,5.83,6.026976871490478,0.13597147792399297,603,2
OADMET-0003432,CC(CS(C)(=O)=O)c1nc(C2(c3cccc(Cl)c3)CCC2)no1,5.48,5.341285037994385,0.07082792002935742,1802,4
OADMET-0003431,CCc1ccc(NC(=O)N2CC(COC)(C3CCC3)C2)cc1F,5.7,4.822890949249268,0.1069737815374035,524,0
OADMET-0003430,COc1nn(C)cc1NC(=O)N1CC(Cc2ccccc2Br)C1,3.79,4.583245658874512,0.11825473401041249,1801,0
OADMET-0003429,Cc1ccc(C2(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)CCC2)cc1,5.31,4.7033689498901365,0.12363158837708355,1800,1
OADMET-0003428,COc1ccc(C2(c3noc(CC4CCOCC4)n3)CCCC2)cc1OC,5.09,4.7581257820129395,0.1301548717871413,328,2
OADMET-0003427,O=S(=O)(c1ccccn1)N1CC2(CCCCC2)C1c1ccccc1,5.34,5.884382057189941,0.1089439670127663,1799,2
OADMET-0003426,CC1(C)C(CNC(=O)NCc2cccc3ccsc23)C1(F)F,5.49,4.533236122131347,0.1647030217514232,1798,3
OADMET-0003425,CN1CCCN(S(=O)(=O)c2cccc(NCc3cc(F)cc(C(F)(F)F)c3)c2)CC1,5.59,5.095335483551025,0.06700481075299776,1797,4
OADMET-0003424,COC(=O)c1sccc1C(=O)N1CC(c2ccccc2)(C(C)C)C1,5.69,5.260942459106445,0.12200247124160725,1796,0
OADMET-0003423,c1ccc(COc2cccc(CNc3ncnc4sccc34)c2)nc1,3.0,3.474007987976074,0.08889841515252762,568,4
OADMET-0003422,Cc1ccoc1C(=O)N1CCCCC1c1nc(-c2ccccc2)c[nH]1,5.53,5.269550800323486,0.11300612078077138,40,1
OADMET-0003421,COc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1,3.38,3.853018856048584,0.17492449813784508,1795,1
OADMET-0003420,CC1(C)CC(NC(=O)Nc2ccn(CC(F)(F)F)n2)c2ccccc21,5.3,5.578633213043213,0.12586783976408253,1794,2
OADMET-0003419,CCOC(CS(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1,5.68,5.2700090408325195,0.11889868144945147,1793,3
OADMET-0003418,Cc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CCOc2cccc(F)c2C1,5.44,5.325160980224609,0.07202526242112946,1792,4
OADMET-0003417,CC(C)(C)c1ccc(S(=O)(=O)N2CC(O)Cc3ccccc32)s1,5.87,6.14302167892456,0.06559290555793973,1791,0
OADMET-0003416,O=C(c1ccccc1)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1,4.81,4.2434326171875,0.1045445927859877,1790,3
OADMET-0003415,Cc1cc(C(C)C)nc(N2CCN(C(C)c3nc(C4CC4)no3)CC2)n1,5.89,5.100577545166016,0.1311992768125859,1789,2
OADMET-0003414,CC(C)C1CCc2ccccc2N1C(=O)Cn1ncc(=O)c2ccccc21,6.845,5.953802108764648,0.13368194066602623,289,2
OADMET-0003413,O=C(NCCc1ccccc1OC(F)F)N1CCOCC(C2CCC2)C1,5.54,5.1271154403686525,0.10650508821017399,67,1
OADMET-0003412,Cn1ncc(C(=O)N(Cc2ccccc2)C2CCCC2(C)C)c1C#N,5.975,5.192436408996582,0.1451253741410199,1788,2
OADMET-0003411,C[C@@H](NC(=O)NC(C1CC1)C1CCCCO1)c1ccc(-n2cccn2)c(F)c1,5.8,4.982340621948242,0.08015263460974703,149,1
OADMET-0003410,O=C(CCc1ccncc1)N1CCC(Cc2ccccc2)C1,2.28,4.133423805236816,0.0653234025085898,9,2
OADMET-0003409,Cc1nc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)c(C)s1,6.41,5.341700553894043,0.10782531254227526,1787,3
OADMET-0003408,Cc1sc(NC(=O)CN(C(C)C)C2COC2)c(C#N)c1C,5.45,5.364016819000244,0.13988467775699084,1786,4
OADMET-0003407,Cc1cccc(C)c1C1CCCN1C(=O)NCc1nccn1CC(C)C,5.48,5.662067413330078,0.08084010348902246,148,2
OADMET-0003406,Cc1ccc(S(=O)(=O)N(C)Cc2ccn(C(C)C)n2)cc1C,5.85,5.32994499206543,0.15331808018611093,1785,0
OADMET-0003405,Cc1cc(C(=O)NC2CCN(c3ccccn3)C2)ncn1,2.42,2.825544595718384,0.1997915818527473,288,3
OADMET-0003404,Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)c1Cl,5.88,5.0698473930358885,0.07209465207570462,1784,1
OADMET-0003403,CC(C)c1noc(=O)n1CC(=O)N1c2ccccc2CCC1C,5.61,5.532026195526123,0.06672709313648002,137,4
OADMET-0003402,CC(C)c1ccc(OCC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1,5.81,4.699968910217285,0.10636911045079933,80,2
OADMET-0003401,N#Cc1cc(C(=O)N2CC3(CCCCC3)C2c2ccccc2)c[nH]1,5.25,4.958910751342773,0.09213610297464803,146,3
OADMET-0003400,Cc1[nH]c2ccccc2c1CC(=O)NC1CCCOC1CC(C)C,5.38,5.750863647460937,0.11804052209843253,597,4
OADMET-0003399,CC(O)CN(c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1,5.3,4.952513599395752,0.10251386716946283,602,0
OADMET-0003398,Cc1csc2c(=O)n(CC(=O)N3c4ccccc4CCC3C)cnc12,5.33,5.424355792999267,0.057473936646941545,137,4
OADMET-0003397,CCn1ccnc1C1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1,6.470000000000001,5.02493896484375,0.07461420122493616,1783,2
OADMET-0003396,O=C(C1CC1)N1CCCN(c2ccccc2S(=O)(=O)C(F)F)CC1,5.33,6.231528568267822,0.1116524336370387,62,4
OADMET-0003395,COc1ccccc1CC1CCCN1C(=O)c1cnn(C(C)(C)C)c1,5.58,5.833835411071777,0.1145229966832924,147,1
OADMET-0003394,CCc1ccc(C(O)CNc2ncnc3[nH]ncc23)cc1,1.74,3.207919120788574,0.20744679355672757,1782,3
OADMET-0003393,CCc1nc(C#N)cc(Oc2ccc3c(c2)CN(C)C3=O)n1,1.97,3.750238847732544,0.1125527725813712,1781,4
OADMET-0003392,NC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)O1,3.33,2.5172134399414063,0.10537155244891161,1780,0
OADMET-0003391,Cc1cc(COCC(=O)N2CCCN(c3ccccc3F)CC2)no1,5.06,4.750788974761963,0.1861833627587527,24,3
OADMET-0003390,Cc1onc(-c2cccs2)c1C(=O)Nc1cnn(C(C)C2CC2)c1,5.29,5.123690795898438,0.046311247787869346,60,4
OADMET-0003389,COc1ccc(Cl)cc1C(O)CNC(=O)c1cccc2c1OCC2,5.31,5.24123592376709,0.1260252707921978,158,4
OADMET-0003388,Cc1cc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cnc1N,5.5,5.453675842285156,0.09584153040793404,157,1
OADMET-0003387,CS(=O)(=O)c1ccc2c(c1)N(C(=O)C1OCCc3ccccc31)CCO2,4.97,4.737509632110596,0.15081156195920803,1779,1
OADMET-0003386,CC(=O)N(C)c1ccc(NC(=O)C(C)Oc2cccnc2)cn1,3.35,3.3400726318359375,0.13034829638374082,1778,2
OADMET-0003385,CC(C)(C)C1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1,5.48,5.0794822692871096,0.14100331737271773,1777,3
OADMET-0003384,CC(C)(C)c1coc(CNC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)n1,5.16,5.733951091766357,0.2080488311820646,281,1
OADMET-0003383,C=CCn1cccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C,5.38,4.660695648193359,0.114088527651454,1776,4
OADMET-0003381,O=C(NCc1nnc2ccc(C(F)(F)F)cn12)N1CC2CSCC(C2)C1,4.635,5.339253711700439,0.13542207422775784,1775,0
OADMET-0003380,Cc1nnnn1-c1ccc(C(=O)N2CC(C)Cc3ccccc32)c(F)c1,5.02,4.496512699127197,0.12050492511825737,1774,1
OADMET-0003379,Cc1cc(C(=O)NC(CO)c2ccccc2C(F)(F)F)oc1C,5.68,5.217743015289306,0.17681410953360385,556,2
OADMET-0003378,CCc1ccc(S(=O)(=O)N2CCCc3cnn(C)c32)cc1,5.51,5.385257053375244,0.12471643217412674,1773,2
OADMET-0003377,Cc1c(Br)cccc1CCNC(=O)c1ncoc1C1CC1,5.57,5.013040447235108,0.0883201763821497,1772,3
OADMET-0003376,Cc1cc(F)ccc1CC(C)NC(=O)N1CCCC(C2CCCCO2)C1,5.81,5.758518886566162,0.15773767436417402,287,4
OADMET-0003375,COC(=O)c1cnc(NC(C)c2nccc(C)n2)cc1C(F)(F)F,5.19,4.917181873321534,0.0806805287237624,1771,4
OADMET-0003374,COc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)C1CC1)CCC2,5.16,5.241232967376709,0.18474132290762105,166,3
OADMET-0003373,O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(-c2ccncc2)on1,1.86,2.6874234676361084,0.13369764016254143,47,0
OADMET-0003372,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(Cl)c1O,5.37,5.506700420379639,0.14586015791934168,246,2
OADMET-0003371,CC(NC(=O)c1snc(O)c1Cl)c1cc(F)ccc1N(C)C,5.05,4.253065586090088,0.1366623560337409,601,3
OADMET-0003370,CC(c1nnc[nH]1)N1CC=C(c2cncc3ccccc23)CC1,2.45,3.8542150020599366,0.13215902016607642,1770,0
OADMET-0003369,Cc1[nH]c2ncnn2c(=O)c1CCOC(=O)c1cncc(C(C)C)c1,1.96,4.042286825180054,0.07409653650279112,600,0
OADMET-0003368,Cc1cn(C)nc1CS(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C,6.27,5.454312515258789,0.11079159826863946,1769,1
OADMET-0003367,CC(C)n1nnc(NC(=O)N2CC3(CCC3)C2c2ccccc2)n1,5.56,5.260760974884033,0.05815959865368084,146,3
OADMET-0003366,Cn1nccc1C1(NC(=O)Nc2nc(C(C)(C)C)ns2)CC1,5.59,5.185710334777832,0.1760385221359778,1768,1
OADMET-0003365,CC(C)C1CCc2ccccc2C1NC(=O)CS(=O)(=O)C(C)(C)C,5.58,5.930525398254394,0.19009889662915005,163,1
OADMET-0003364,Cc1c(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)nnn1-c1cccc2ncccc12,3.18,4.245466899871826,0.08757026672474202,1767,3
OADMET-0003363,O=C(NC1CCN(C2CCCCC2)C1=O)N[C@]1(c2ccccc2F)C[C@@H](F)C1,5.84,5.140236854553223,0.11964554662129358,99,3
OADMET-0003362,Cc1csc(CNC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1,5.61,5.228589057922363,0.15097032954512826,1766,3
OADMET-0003361,CNC(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)c1,1.88,3.492115020751953,0.14962617591471492,286,2
OADMET-0003360,CC1(C)C=Cc2cccc(NCC(O)CC3(O)CCCC3)c2O1,5.39,5.342472553253174,0.19173353403371746,1765,2
OADMET-0003358,O=C(c1cccc(C(F)(F)F)c1O)N1CCOC(C2CCCCC2)C1,4.86,4.624081230163574,0.18148951901450963,1764,2
OADMET-0003357,N#CCc1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c(Cl)c1,6.255,5.425572109222412,0.14573261669450152,1763,3
OADMET-0003356,Cc1cnc2c(cnn2CC(=O)NC2(c3ccccc3Cl)CC2)c1,5.45,5.8099407196044925,0.055622102873502395,253,4
OADMET-0003355,CCc1cc(N2CCC(NC(=O)c3cccc(C)c3F)CC2)ncn1,2.96,4.097147655487061,0.08793181531432602,527,0
OADMET-0003354,CC1CNCC(Cn2cc(-c3cn4ccccc4n3)nn2)C1,3.9,3.5055063247680662,0.08846385901832139,1762,4
OADMET-0003353,COc1ccccc1C1CCN(C(=O)c2nccc3cccnc23)C1,5.64,5.001612854003906,0.03809373938064749,599,0
OADMET-0003352,COCC(C)(C)c1noc([C@@H](C(C)C)N2Cc3ccccc3C2=O)n1,5.59,4.904231166839599,0.13408570610118242,1761,0
OADMET-0003351,COc1ccc(O)c(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1,5.07,4.381126499176025,0.04590728142181599,598,4
OADMET-0003350,CCc1cc(NC(=O)N2CC3(CCCC3)C2c2ccccc2)no1,5.82,5.26038875579834,0.10199484868969455,146,3
OADMET-0003349,COc1c(C)cnc(CN(C)C(=O)NC2CCCOC2CC(C)C)c1C,5.41,5.317001247406006,0.10434466431722536,597,4
OADMET-0003348,COc1ccccc1-c1cn(Cc2noc3c2CC(C)(C)CC3)nn1,6.33,5.536567115783692,0.05540591979433508,59,0
OADMET-0003347,CN1CCN(C(=O)Nc2ccc(N3CCCCC3)nc2)Cc2ccccc21,5.83,4.853472709655762,0.1042760200289668,256,0
OADMET-0003346,C=C1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1,5.34,4.4117203712463375,0.12891338196496108,596,3
OADMET-0003345,CCC(Cc1ccc(C)cc1)NC(=O)NC(c1cccc(C(F)(F)F)c1)c1nnc[nH]1,4.975,5.04088716506958,0.08846809262191016,1760,1
OADMET-0003344,Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cc(-c2ccco2)[nH]n1,6.26,5.360813903808594,0.12089570883406281,245,3
OADMET-0003343,Cc1c(Cl)c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nn1C,5.965,4.724209403991699,0.1359826344255609,1759,2
OADMET-0003342,COc1cc(C)nc(N2CCN(C(=O)c3cccc(C(C)C)n3)CC2)n1,5.38,5.10475788116455,0.07675688388093783,92,0
OADMET-0003341,O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2ccccc12,6.09,5.464885520935058,0.07290117704438649,314,4
OADMET-0003340,C[C@H]1CCN(C(=O)c2ccccc2Oc2cnn(C)c2)[C@@H](C)C1,4.98,3.746731185913086,0.1949472683920077,1758,3
OADMET-0003339,CC(C)(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1CCOCC1,2.62,3.71675329208374,0.09834351389531827,1757,4
OADMET-0003338,CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1,5.42,4.715163516998291,0.18397568008364937,595,1
OADMET-0003337,O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C2CCC1c1cn[nH]c1C2,5.01,5.678022480010986,0.12878067201210652,1756,0
OADMET-0003336,Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1,5.65,5.539240169525146,0.08383003851261528,285,4
OADMET-0003335,Cc1nn(C)c(C)c1C(=O)NCc1c(C)c2ccccc2n1C,1.85,4.720668029785156,0.0733912064662054,1755,1
OADMET-0003334,CCN(C(=O)c1nc(CC(F)(F)F)sc1C)C12CC3CC(CC(C3)C1)C2,6.16,6.153352737426758,0.20948231076208393,1754,2
OADMET-0003333,CC1(Cc2cccs2)CCCN1C(=O)Cn1nnc2c1CCCC2,5.44,5.822807502746582,0.1808844583253264,1753,3
OADMET-0003332,O=C(c1cc(Cl)ccc1NCc1ncnn1-c1ccccc1)N1CCCC1,5.29,5.213887882232666,0.09658415391139989,594,2
OADMET-0003331,COc1cccc(C(O)CNC(=O)c2ccc(N3CCCCCC3)nc2)c1,5.67,5.012854290008545,0.08063267840414942,30,1
OADMET-0003330,Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1c[nH]c2ccccc2c1=O,5.29,5.005253505706787,0.061235639877885016,1752,4
OADMET-0003329,Cn1nc(-c2nc(-c3ccc(C(F)(F)F)[nH]c3=O)no2)c2c1CCSC2,5.67,4.633023643493653,0.07020672120033976,1751,0
OADMET-0003328,CNc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c2cc(C(F)(F)F)ccc12,5.13,5.047245502471924,0.09499175681444269,535,3
OADMET-0003327,Cc1cccnc1S(=O)(=O)NCC(OC1CCCC1)C(F)(F)F,5.69,5.844530868530273,0.08628612081254095,1750,1
OADMET-0003326,Cn1nc(C(=O)Nc2cnc3c(c2)CCCC3)c2c1CCCC2,5.39,4.965838623046875,0.07170546110312107,1749,2
OADMET-0003325,O=C(NCc1cccc2c1OCO2)N1CCCC2(CC=CCC2)C1,5.69,5.672968959808349,0.17080974955530737,1748,3
OADMET-0003324,CN1C(=O)CCCc2occ(C(=O)N3CCc4c3ccc(Cl)c4Cl)c21,5.86,5.424420738220215,0.11659206861045347,1747,4
OADMET-0003323,CCOc1cc(NC2CCN(C(=O)C3CCc4cccnc43)CC2)ncn1,2.69,4.336455059051514,0.04329978005147568,284,0
OADMET-0003322,Cc1cccnc1C(NC(=O)c1csc2cncn12)C(C)(C)C,6.23,4.687505626678467,0.1657672249126141,1746,0
OADMET-0003321,Cc1cccc2c1CN(C(=O)C1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2,5.84,5.014571857452393,0.0874324138233165,1745,1
OADMET-0003320,Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1c(F)cccc1Cl,5.24,5.29068431854248,0.0868453022572941,1744,0
OADMET-0003319,Cc1ccc(S(=O)(=O)CC(C)NC2CCC23CCCC3)cc1,5.13,5.317807006835937,0.11923786824509784,1743,4
OADMET-0003318,Cc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1,5.45,5.063348770141602,0.12116189459644176,593,1
OADMET-0003317,Nc1ccn2ncc(C(=O)NC3CC(=O)N(C4CC4)C3)c2c1,2.65,3.4833110332489015,0.20628803382336314,1742,3
OADMET-0003316,CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)s1,5.945,5.681972217559815,0.1884877960649038,1741,3
OADMET-0003315,COc1ccc(C2(NC(=O)c3c[nH]c4ncc(Br)cc34)CC2)cc1,5.1,4.373008918762207,0.07951092544218828,1740,4
OADMET-0003314,COC(=O)c1c(CN(CC2CCCC(C)C2)OC)nn2c1CCCC2,5.77,5.8388745307922365,0.11231642156786756,90,1
OADMET-0003313,Cc1nn(C)cc1C1CCCN1C(=O)c1cnn(C2CCC2)c1,3.31,4.280837917327881,0.14913523783875862,209,4
OADMET-0003312,CS(=O)(=O)NCc1ccc(C(=O)N2CCCCCc3ccccc32)o1,5.865,5.106233882904053,0.06779866509703161,1739,0
OADMET-0003311,CCCc1c(NCc2nnnn2C(C)(C)C)cnn1-c1ccccc1C,5.78,5.370169353485108,0.06389229674400898,1738,1
OADMET-0003310,CCOC(=O)c1cnc(NC2C(=O)NCC2(CC)CC)s1,5.64,5.032884120941162,0.23651696532837535,279,3
OADMET-0003309,CN(C)S(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F,5.33,5.271992301940918,0.13543699971434983,592,4
OADMET-0003308,NC(=O)C(Cc1ccccc1)n1cc(-c2cccc3c2CCCC3)nn1,5.0,5.110265636444092,0.074469668489188,1737,2
OADMET-0003306,COc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)Oc2ccccc21,5.76,5.853773403167724,0.1724652976369246,142,3
OADMET-0003305,O=C(Nc1ccc(C(F)(F)F)nn1)Nc1cc(CC2CCCCC2)n[nH]1,1.83,4.74449987411499,0.17862248325092295,1736,3
OADMET-0003303,CC(=O)N1CCCN(Cc2nc(-c3ccc(F)c(C)c3)no2)c2ccccc21,5.62,5.693651008605957,0.1010192824214197,1735,4
OADMET-0003302,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cn[nH]c1,4.86,4.740733528137207,0.10956781257342557,156,1
OADMET-0003301,CCc1cc(NC(=O)NC2Cc3ccccc3N(C)C2=O)ccc1C,5.42,4.99290132522583,0.05049877371848589,1734,0
OADMET-0003300,O=C(c1cc2ccccc2oc1=O)N1CCN(C2CC2)c2ccccc21,5.27,5.706280708312988,0.13379816118735097,20,2
OADMET-0003299,O=c1c(NS(=O)(=O)c2cnn3c2CCCC3)cccn1C(F)F,4.75,4.906767082214356,0.08342546621262473,1733,1
OADMET-0003298,CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1,5.85,5.458331489562989,0.11813199833035481,144,4
OADMET-0003297,C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc(-c2ccsc2)nn1C,5.55,4.86625108718872,0.13633728745114404,254,1
OADMET-0003296,COc1ccccc1[C@H](O)CNC(=O)C1(c2cc(F)cc(F)c2)CCCC1,5.77,5.482520389556885,0.1312330509829231,1732,2
OADMET-0003295,COc1cc(Cl)ccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1,1.73,3.867552471160889,0.181814396162376,145,3
OADMET-0003294,Cc1cccc2c1sc(=O)n2CC(=O)N1CCCCC1C,5.23,5.928307342529297,0.13126169044336514,283,0
OADMET-0003293,CC(NC(=O)C1CCCN1C(=O)Cc1ccccc1)c1nc2ccccc2n1C,5.25,4.588911056518555,0.07008994948820733,282,4
OADMET-0003292,CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c2ccccc2O1,5.43,5.678143310546875,0.08382757183354635,1731,2
OADMET-0003291,CN1CCN(C(=O)c2c3ccc(Br)cc3nn2C)c2ccc(F)cc21,5.865,5.272031021118164,0.17347892367178597,98,1
OADMET-0003289,C[C@@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1,5.2,5.699744510650635,0.214177452361543,281,1
OADMET-0003288,O=c1[nH]c(C2CCCCO2)nc2scc(-c3ccccc3Cl)c12,5.39,4.650514793395996,0.050970929111076806,1730,4
OADMET-0003287,CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(F)c(Cl)c1,5.27,5.805387210845947,0.16134683650728443,591,3
OADMET-0003286,CC(C)CC1(c2nc(-c3ccccc3F)no2)CCNC1=O,5.51,4.8956090927124025,0.05796032297529198,1729,0
OADMET-0003285,O=C(NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1)c1ccnn1-c1ccccc1,1.73,4.413925743103027,0.09960335651236055,590,2
OADMET-0003284,O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2CC[C@H](O)[C@H]21,4.89,4.951360702514648,0.06436303858818587,589,4
OADMET-0003283,CN(C(=O)Nc1nc(C2CCOCC2)cs1)C1CCCC1C(C)(C)C,5.79,5.227332496643067,0.11788791266939921,1728,1
OADMET-0003282,CC1(C)CC(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c2ccccc2O1,5.55,5.611756801605225,0.22436004537739387,280,0
OADMET-0003281,Cc1noc2ncc(S(=O)(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)cc12,5.45,4.192460536956787,0.08814178077225682,157,1
OADMET-0003280,Cn1cc(C#N)c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)n1,5.32,5.353062725067138,0.08349082532802639,1727,2
OADMET-0003279,O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCCC(F)(F)CC1,4.98,5.258090019226074,0.1933047266344715,1726,3
OADMET-0003278,CC(NC(=O)CCc1ccc2[nH]ccc2c1)c1ccccc1NS(=O)(=O)c1cccs1,5.31,4.987119865417481,0.05184880601823153,1725,4
OADMET-0003277,CSc1ccccc1S(=O)(=O)N1CCCCC1c1cnn(C)c1,5.85,4.8791485786437985,0.13675737432685175,1724,0
OADMET-0003276,O=C(NC1CCC(F)(F)CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,5.79,6.06654691696167,0.193778434708865,160,3
OADMET-0003275,O=C1NCCC1(c1nc(C2(c3ccccc3)CCOCC2)no1)C1CCCC1,5.96,5.060282039642334,0.08905785616017906,1723,1
OADMET-0003274,CCc1c[nH]c2ncnc(NCc3ccc(CO)c(F)c3)c12,1.74,1.856628704071045,0.10061956273528078,1722,2
OADMET-0003273,CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC2(CCC2)c2ccccc21,5.54,5.710829830169677,0.08710972709246989,1721,1
OADMET-0003272,Cc1cc(CS(=O)(=O)N2CCc3c(cccc3C(C)C)C2)no1,5.13,5.785272216796875,0.14872877904393372,1720,2
OADMET-0003271,CCC1CN(C(=O)c2cnn3cccc(OC)c23)c2ccccc2O1,5.62,5.361250305175782,0.09506125226991223,1719,3
OADMET-0003270,CC(C)(C)c1nc(CCNS(=O)(=O)Cc2noc3c2CCCCC3)no1,5.99,5.325328350067139,0.15163458938522748,1718,1
OADMET-0003269,Cc1ccnc(-c2cn(Cc3cccc4ccccc34)nn2)n1,5.83,4.933204555511475,0.08409551234954094,1717,3
OADMET-0003268,COc1ccc(CNc2cc(OC)ncn2)c(OC2CCCC2)c1,4.99,4.756451988220215,0.08370174339161762,1716,4
OADMET-0003267,COC1(c2ccnn2C)CN(c2ncnc3scc(C)c23)C1,1.75,3.127523183822632,0.05509834882213313,1715,0
OADMET-0003266,CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)N(C)C2CCCC2)c1,6.18,5.56907091140747,0.1300764425748157,536,2
OADMET-0003265,O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2c1,5.15,5.316870307922363,0.14954165490613916,1714,1
OADMET-0003264,O=C(c1ccc(F)c2ccncc12)N(Cc1ccccc1)C(CO)C1CCC1,5.265000000000001,5.290650939941406,0.12647459832383134,1713,2
OADMET-0003263,Cc1cnn(-c2ccncc2N2C(=O)NC3(CC(c4ccccc4Cl)C3)C2=O)c1,4.78,4.246458911895752,0.13825319281905019,1712,3
OADMET-0003262,C[C@H](NC(=O)C1(C#N)CC12CCCC2)c1ccc(Br)cc1F,5.2,5.797517490386963,0.10979588648684613,1711,4
OADMET-0003261,Cc1ccnc2ccc(-c3ccc(N4CCC(O)C4)cc3)cc12,1.74,3.2883124351501465,0.055552724054275526,1710,0
OADMET-0003260,CCC(C)n1nc(NC(=O)NCc2nc(C)c(C)s2)cc1C,5.98,5.555823421478271,0.1119509978008903,588,1
OADMET-0003258,Cc1nsc(N2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1,6.105,4.883244323730469,0.059979887070981446,1709,1
OADMET-0003257,CC1(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC=CCC1,6.6850000000000005,5.358478450775147,0.1275241249382314,315,1
OADMET-0003256,Cc1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)c(=O)n1C,5.09,5.473524761199951,0.16550406735696765,1708,2
OADMET-0003255,CC(C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC1CCCC1O,5.18,4.734592628479004,0.15941332793201088,1707,3
OADMET-0003254,O=C(CCCc1cccs1)Nc1nc2c(s1)C(=O)NCC2,2.93,4.042312240600586,0.09772666775730939,1706,4
OADMET-0003253,O=C(c1ccnc(C(=O)N2CCCC3(CC3)C2)c1)N1CCCC2(CC2)C1,5.47,5.814630031585693,0.2051295771177956,587,3
OADMET-0003252,NC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1,5.05,4.144205522537232,0.13484038876631776,1705,0
OADMET-0003251,CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1,5.1,5.10296859741211,0.0825997745948364,506,0
OADMET-0003250,CCC1CN(S(=O)(=O)c2ccccc2S(N)(=O)=O)c2cccc(Cl)c2O1,5.06,5.724052810668946,0.10250408547400847,551,4
OADMET-0003249,CCC1(CC)CNC(=O)C1NC(=O)c1nc(-c2ccco2)sc1C,5.08,5.307623863220215,0.14516994674839004,279,3
OADMET-0003248,O=C(C1SCCc2sccc21)N1CCC(c2ccncc2)CC1,1.83,4.209593868255615,0.21402991753986958,1704,1
OADMET-0003247,COc1ccc2cc(C(=O)NC(C)C3(N4CCOCC4)CCCC3)[nH]c2c1,5.26,4.867730808258057,0.12433313160744514,91,2
OADMET-0003246,CN(C)C(=O)N1CCC(C(=O)N2CCN(C3CC3)c3ccccc32)CC1,5.765000000000001,4.873182773590088,0.13020659214716063,20,2
OADMET-0003245,CC(C)(CC#N)CS(=O)(=O)N1Cc2ccccc2C2(CC2)C1,5.31,5.999960708618164,0.14366072735032204,1703,2
OADMET-0003244,Cc1cc(S(=O)(=O)Nc2cccc3c2OCCC3)sc1C,5.99,6.037371635437012,0.16320981689260433,1702,3
OADMET-0003243,CC(Nc1ncnc2[nH]ccc12)c1ccc(OCc2cccnc2)cc1,1.91,3.0792673110961912,0.09677771511545631,1701,4
OADMET-0003242,CC[C@@H]1C(=O)NCCCN1Cc1nc(-c2cccc(Cl)c2)no1,5.21,4.779577350616455,0.14631560748327485,139,3
OADMET-0003241,Cc1cc(C2CC2)nc(NC(=O)c2nc3ccccc3cc2C2CC2)n1,5.83,5.710954761505127,0.12277145562016277,1700,0
OADMET-0003240,O=C(CC1(c2ccccc2)CCCO1)Nc1nn(Cc2ccccc2F)cc1Br,6.215,5.465174007415771,0.1500664802127414,1699,1
OADMET-0003239,CCc1cc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)no1,3.78,2.619700717926025,0.14331203039107324,255,3
OADMET-0003238,COCC1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)CC(C)(C)O1,5.19,5.75285701751709,0.10683151655519854,1698,2
OADMET-0003237,Cc1ccc(C2CC(C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1,5.38,4.999516487121582,0.07352375535490467,1697,0
OADMET-0003236,COc1ccc2nccc(N3CCCC(N4CCNC4=O)C3)c2c1,1.77,3.311658763885498,0.14694772852345783,1696,4
OADMET-0003235,CC1Cc2cccc(S(=O)(=O)Nc3ccc(OC(F)F)cn3)c2O1,5.19,5.248926067352295,0.07659260203646495,1695,4
OADMET-0003234,CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1OCC,5.43,5.806123352050781,0.10720783118957226,144,4
OADMET-0003233,COc1cc(S(=O)(=O)N2CCCc3cccc(OC)c32)sn1,5.58,5.799366188049317,0.03206908698730096,1694,0
OADMET-0003232,O=C(N[C@H]1CC2(CCCC2)Oc2ccc(Cl)cc21)c1c[nH]nn1,4.65,4.665793228149414,0.08627801552321473,1693,1
OADMET-0003231,Cc1ccc(F)c2oc(C(=O)NCC3CCC34CCOCC4)cc12,5.48,4.70324592590332,0.13631928479296943,12,0
OADMET-0003230,CCN1CCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O,5.29,5.036449718475342,0.13165893462742548,1692,2
OADMET-0003229,CC(NS(=O)(=O)c1cccc(Cl)c1O)c1cccc(S(=O)(=O)N(C)C)c1,4.97,5.161505222320557,0.1450091243245485,1691,3
OADMET-0003228,CC1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)n1C,5.4,5.779109954833984,0.1299596875427611,586,4
OADMET-0003227,c1ccc(OCC2CN(c3nc(-c4cccnc4)nc4ccccc34)CCO2)cc1,5.21,4.864198970794678,0.09217178696787835,136,3
OADMET-0003226,O=C(c1noc2c1CCCCC2)N1CCn2cccc2C1c1ccccc1,5.77,5.58793363571167,0.10518741052193965,1690,4
OADMET-0003225,O=C(Cc1ccon1)N1CCN(c2ncnc3ccsc23)CC1,1.82,2.471955919265747,0.11294275473517656,255,3
OADMET-0003224,CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)Cc3c(C)noc3C)cc2c1C,4.12,4.835554122924805,0.05944987398377025,1689,0
OADMET-0003223,COc1ccccc1CC(C)N(C)c1ccnc2c1c(C)nn2C,5.76,5.59462080001831,0.07434403625938414,1688,1
OADMET-0003222,CC(NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc[nH]n1,5.1,5.192587947845459,0.11274185194531329,1687,2
OADMET-0003221,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCc3cccnc31)CC2,5.74,5.361140346527099,0.09347744815876996,284,0
OADMET-0003220,CCn1c(C2CCCN2c2cc(C)nc(OC)n2)nc2ccccc21,5.01,5.261650562286377,0.10813684396598935,585,3
OADMET-0003219,CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1n[nH]c3ccccc3c1=O)C2,5.17,5.003759574890137,0.14259948075387832,1686,3
OADMET-0003218,CN(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)c2ccccc2n1,5.11,4.89914379119873,0.05059965164657968,143,4
OADMET-0003217,Cn1ccnc1CN1CCC(c2c[nH]c3ccccc23)CC1,4.220000000000001,3.5815415382385254,0.045873619947679585,584,2
OADMET-0003216,COC(=O)c1cc2c(N3CC(C)c4ccc(OC)cc43)ncnc2[nH]1,1.78,3.917491006851196,0.07644958036388959,1685,4
OADMET-0003215,O=S(=O)(Nc1cnc2c(F)cccc2c1)c1ccnn1C1CCC1,5.14,4.765804195404053,0.09727981197461215,583,1
OADMET-0003214,CCOC(=O)C1(c2cn(Cc3nn(C)c4c3CCC4)nn2)CCC1,5.66,5.345539188385009,0.12751829264085404,1684,0
OADMET-0003213,O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc2[nH]cnc2c1,1.75,2.3669401168823243,0.10725650743367593,1683,1
OADMET-0003212,C=C(C)CN(C)c1ccc(Br)c(S(=O)(=O)N2CCOCC2CC2CCOC2)n1,5.98,5.44284610748291,0.13374358799739017,1682,2
OADMET-0003211,CC(Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1,5.6,5.026441860198974,0.1774011816873349,1681,3
OADMET-0003210,Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1,5.3,5.5326488494873045,0.11506618717494227,1680,4
OADMET-0003209,CCc1c(C)cccc1C(C(=O)NCC1CCOC1)N1CCC(CC(C)O)CC1,4.95,4.535800457000732,0.12549808239302757,1679,0
OADMET-0003208,CCOC1CC(N(C)CC(=O)Nc2nccs2)C12CCCCC2,5.13,4.625625896453857,0.17717306439677452,1678,1
OADMET-0003207,CCn1ncc2c(C(=O)NC3CCCN(C)C3C)cc(C3CC3)nc21,5.67,4.4615246772766115,0.10761445534316029,1677,2
OADMET-0003206,O=c1[nH]nc(-c2nc(C3CCCc4ccccc43)no2)c2ccccc12,5.29,4.89926929473877,0.0683978072782535,1676,3
OADMET-0003205,CCc1nc2ccc(Cl)cn2c1C(=O)NC(C)C1(OC)CCC1,5.14,4.910929870605469,0.14519677900505304,1675,0
OADMET-0003204,Fc1cc(-c2noc(-c3cccc4[nH]ncc34)n2)ccc1Cn1cncn1,1.87,3.9203816413879395,0.11201744819992011,1674,4
OADMET-0003203,CC(NC(=O)c1cccc(F)c1CNC(=O)OC(C)(C)C)c1cccc(OC(F)F)c1,5.78,5.863794040679932,0.06926121920281739,1673,1
OADMET-0003202,O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl,4.96,3.870881748199463,0.14616205684663824,582,0
OADMET-0003201,COc1ccccc1C(CO)NC(=O)c1ccccc1CNC(=O)OC(C)(C)C,5.71,5.318108749389649,0.1355385130529636,7,3
OADMET-0003200,CC(=O)N1CCCc2ccc(NC(=O)C(NC(=O)CC(C)C)C(C)C)cc21,5.89,5.815880584716797,0.11971745219638891,1672,0
OADMET-0003199,CC(C)(C)c1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)n1,5.78,5.665634250640869,0.14211117853449576,1671,1
OADMET-0003198,Cc1ccc(S(=O)(=O)NCCN(C)Cc2nocc2C(C)C)cc1,5.68,5.077054882049561,0.1028921712114288,1670,2
OADMET-0003197,O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC4CCCC4)c(F)c3)cc2o1,5.02,4.973232078552246,0.1209491397713929,1669,3
OADMET-0003196,CC(Sc1nc2ccccc2s1)C(=O)NCC(C)(C)CNC(=O)c1c[nH]c(C#N)c1,5.16,4.9315893173217775,0.026063972576029205,1668,4
OADMET-0003195,O=C(Nc1ccc2ncccc2c1)C1(c2nccc3ccccc23)CC1,5.22,4.867746257781983,0.13701610760438407,278,1
OADMET-0003194,Cc1cccnc1C(NC(=O)N1CC(=O)N(CC2CC2)C1)C(C)C,5.35,4.8685150146484375,0.1147385855836188,1667,0
OADMET-0003193,CCc1c[nH]c2ncnc(N3CCN(C4CCS(=O)(=O)C4)CC3)c12,1.76,2.0833447217941283,0.06373371682169607,89,2
OADMET-0003192,CC(=O)N1CC(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2C)Oc2ccccc21,5.975,5.387685012817383,0.1402017622138251,1666,1
OADMET-0003191,COc1ccc2c(-c3ccccc3)c(C(=O)NC3CC(Cl)(Cl)C3)oc2c1,5.05,4.338726997375488,0.1972540794602855,581,1
OADMET-0003190,CN(c1ccccc1C(N)=O)S(=O)(=O)c1c[nH]c2cc(Cl)ccc12,5.66,5.793175983428955,0.0903207735108742,1665,2
OADMET-0003189,Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,4.71,5.21108045578003,0.08347198248299176,277,2
OADMET-0003188,Cc1c(-n2nnnc2SC2CCCN(CC(C)(C)C)C2=O)c(=O)n(-c2ccccc2)n1C,5.18,5.5777966499328615,0.13877341879387253,1664,3
OADMET-0003187,CC(=O)Nc1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1,5.23,4.722889804840088,0.12297859233745966,1663,4
OADMET-0003186,O=S(=O)(N[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1)c1cnn2c1CNCC2,6.605,4.549733734130859,0.21933787306791575,1662,0
OADMET-0003185,O=C(CC1(O)CCC1)N1CCc2ccccc2[C@@H]1c1ccccc1,5.27,5.428426265716553,0.13451656815038351,320,1
OADMET-0003184,O=C1CC2(CCc3ccccc32)C(=O)N1CCOc1ccccc1,5.15,5.20432481765747,0.09945098987496831,1661,1
OADMET-0003183,CCC(CC(=O)NCCN(C)C(=O)C(C)n1nccc1C)C1CCC1,5.4,5.275952625274658,0.10606157547143644,1660,2
OADMET-0003182,C=C1CC1C(=O)N(C)CCN(C)C(=O)c1cc2ccccc2c(OC)n1,5.11,5.120584106445312,0.058173641312504284,1659,3
OADMET-0003181,Cc1cccc(C)c1C1CCCN1C(=O)NC(c1ccccc1)C1CCOC1,5.64,5.78688793182373,0.11594507502320447,148,2
OADMET-0003180,Cc1cc2c(cc1O)CCN(C(=O)C1(c3ccc4c(c3)OCO4)CCOCC1)C2,5.27,5.598519706726075,0.04526795708295721,1658,4
OADMET-0003179,COc1cccc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c1O,5.15,5.226301765441894,0.05871784483687416,579,4
OADMET-0003178,CC(C)(Cc1ccc(O)cc1)C(=O)NCc1noc2ccc(F)cc12,4.81,4.431417179107666,0.03166157792383978,1657,0
OADMET-0003177,O=C(Nc1nccs1)C1CCCN1C(=O)CCc1ccccc1O,4.6,4.909898471832276,0.1480286699630531,580,0
OADMET-0003176,COCc1nccc(N(Cc2nc(C)cn2C)CC2CCCCC2)n1,4.78,4.692244815826416,0.11738222809177011,1656,1
OADMET-0003175,CC(CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)N(C)C1CC1,4.86,4.118534135818481,0.1316821276627654,1655,2
OADMET-0003174,CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC1CCN(C2CCCCC2)C1=O,5.27,5.339161968231201,0.21334006914392362,99,3
OADMET-0003173,CC1(C)CCc2sc(NC(=O)N3CC(C)(C)C3C3CCCO3)nc21,6.56,6.064253425598144,0.216456725049323,1654,3
OADMET-0003172,OCC(Nc1nc(-c2ccccc2)ns1)c1cccc(Cl)c1F,5.46,5.394476890563965,0.1285526342947316,1653,4
OADMET-0003171,CN(CC1CN(c2nc(-c3ccccc3)c3ccccc3n2)CCO1)c1cccnn1,5.2,5.044793510437012,0.07769960531624667,1652,0
OADMET-0003170,Cc1cccc2cc(C(=O)N3CCC[C@H](N(C)C(=O)c4cnc5ccccc5c4)C3)nn12,5.54,5.171024990081787,0.019345209994139984,1651,4
OADMET-0003168,COCCOc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,5.08,4.8394674301147464,0.1404811603959128,1650,3
OADMET-0003167,COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cc(C(O)C(F)(F)F)ccn1)CCC2,5.63,5.098766040802002,0.20832646657565757,1649,2
OADMET-0003166,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3cc4n(n3)CCCO4)cc2)cc1,5.77,4.410503196716308,0.07771051753355286,576,2
OADMET-0003165,CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2nc3ccccc3s2)c1,5.74,5.70733118057251,0.1536149558176541,1648,2
OADMET-0003164,O=C(Nc1cnc2cccnn12)c1cc(C2CC2)nc2ccc(F)cc12,4.92,5.1928855895996096,0.057733408009105674,579,4
OADMET-0003163,Cc1cc(Br)cc(S(=O)(=O)Nc2cccc3cc[nH]c23)c1,5.3,5.758227157592773,0.09344380763021128,578,4
OADMET-0003162,Cc1nc(NC(=O)C2CN(C)CCO2)sc1Cc1ccc(F)cc1F,5.55,4.6882000923156735,0.16534274783041142,276,1
OADMET-0003161,O=S(=O)(Nc1cnc(C2CC2)nc1)c1c[nH]c2ccccc12,5.15,4.675735282897949,0.09624589502632057,577,3
OADMET-0003160,COc1cc(CNS(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)ccn1,3.89,3.9177778720855714,0.08142141334410063,576,2
OADMET-0003159,O=C(Nc1cnc(C2CC2)nc1)N1CC2(CCC2)C1c1ccccc1,5.1,5.413796043395996,0.06616843639790633,146,3
OADMET-0003158,O=C1CC2CCCC(CN1)N2C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1,6.39,4.872152328491211,0.12349375435798594,1647,3
OADMET-0003157,Cc1n[nH]c2ccc(C(=O)NCC3(Cc4ccc(F)cc4)CCCC3O)cc12,3.03,4.955098724365234,0.1271678576040244,533,3
OADMET-0003156,CC(C)(C)C1(CNC(=O)c2cccc(Br)c2Cl)CCNC1,5.015000000000001,4.280223274230957,0.11338056869946538,1646,4
OADMET-0003155,Cc1cc(C)cc(-n2nc(C(=O)NC(C)(C)CN3CCOCC3)cc2C)c1,5.75,4.624432754516602,0.08681621104655936,1645,0
OADMET-0003154,CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1csc(-c2nnc[nH]2)n1,5.6,4.803181266784668,0.07851208324330809,1644,1
OADMET-0003153,CC(C)C1CN(C(=O)c2ccc(C#N)s2)c2ccccc2N1,5.52,5.899461269378662,0.1370183697935573,1643,2
OADMET-0003152,Cc1cnc(C(=O)NC2CCc3ccccc3-n3ccnc32)c(C)c1,5.29,4.567254543304443,0.07466881869028102,1642,3
OADMET-0003151,CCc1cnc(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1,5.63,4.608821010589599,0.05240769778008797,275,0
OADMET-0003150,Cn1cc(C(=O)NCCc2ccc3ccccc3n2)c(-c2cc(F)ccc2F)n1,4.86,4.648853778839111,0.07163846905031782,1641,4
OADMET-0003149,Cc1cc(-c2noc(C3CCCN3S(=O)(=O)c3cccs3)n2)ccc1O,5.74,4.803935241699219,0.08030304551671812,1640,0
OADMET-0003148,COCCN(C(=O)C1CCC1c1ccc(F)cc1)C1CCCc2cccnc21,5.66,5.311720275878907,0.10628913562331956,1639,1
OADMET-0003147,Cc1c[nH]c2nccc(-c3ccc4c(c3)C(=O)NCCO4)c12,1.74,2.3003650665283204,0.10420790404997812,554,1
OADMET-0003146,O=C1NCc2c(NCc3ccc(C4CCCC4)cc3)cccc21,3.64,5.354949188232422,0.15385093966008775,1638,1
OADMET-0003145,CCc1c[nH]c2ncnc(N3CCc4c(CC(N)=O)cccc4C3)c12,3.29,3.0983882427215574,0.11037471485555823,89,2
OADMET-0003144,COc1ccc2c(c1)CCCC2Cn1c(=O)[nH]c2cccnc2c1=O,5.11,4.249884700775146,0.044712334388303625,1637,3
OADMET-0003143,CC(CNC(=O)c1ccccc1Cn1cc(-c2cccc(Cl)c2)nn1)C(=O)OC(C)(C)C,5.68,5.899074935913086,0.07732199272431449,1636,4
OADMET-0003142,Brc1ccccc1C1CCCN1c1ncnc2[nH]ncc12,5.66,3.7968817710876466,0.12746776146295843,1635,0
OADMET-0003141,COC1(CNC(=O)c2nnc(C(C)(C)C)o2)CCCCCC1,5.69,4.901562309265136,0.18197254397115317,1634,1
OADMET-0003140,NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1,1.84,3.56124529838562,0.11951321187997797,1633,2
OADMET-0003139,O=C(C1CCCc2cccnc21)N1CC(O)(c2ccc(Br)cc2)C1,5.25,4.670475482940674,0.14183773716244447,268,1
OADMET-0003138,Cn1ccc2c(C(=O)NCC3CSCCN3C(=O)c3cccc4c3ccn4C)cccc21,5.47,5.149114799499512,0.13611963744513278,1632,3
OADMET-0003137,CC(C)(C)c1nn(CC(=O)N2CCCC2c2ccccc2)c(=O)o1,5.28,5.917472648620605,0.13615804078020696,575,2
OADMET-0003136,CCN(Cc1ccccc1Cl)C(=O)c1ccccc1OCC(=O)N(C)C,5.12,5.216108703613282,0.11433423148867736,1631,4
OADMET-0003135,COc1ccccc1CC(C)(C)NS(=O)(=O)c1cnc(N)c(C)c1,5.54,5.242895317077637,0.054766664134009914,1630,0
OADMET-0003134,Cn1cnc2cc(C(=O)Nc3cnn(-c4ccccc4)c3)ccc21,5.09,3.547989511489868,0.13135312190320525,203,4
OADMET-0003133,CCc1nnnn1-c1ccccc1NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1,6.22,4.8859532356262205,0.11876056728115762,1629,1
OADMET-0003132,COc1ccc(OC)c(C2CCCN2c2nc(C)cc(C#N)n2)c1,4.62,5.24425859451294,0.08346560924623521,304,1
OADMET-0003131,Cc1nnc(-c2cccc(-c3noc(C4CC(=O)N(c5ccc6c(c5)CCC6)C4)n3)c2)[nH]1,5.11,4.156620883941651,0.06705311779518025,1628,0
OADMET-0003130,CCc1nc(S(=O)(=O)N(CC#N)c2ccc(F)cc2C)cn1CC1CC1,5.56,5.69454517364502,0.1439101720749695,1627,1
OADMET-0003129,Cc1n[nH]c2ccc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)cc12,2.87,2.747400236129761,0.17391206156591651,574,3
OADMET-0003128,CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3OCC2C)cc1C#N,4.859999999999999,4.401270389556885,0.11096945695670446,309,0
OADMET-0003127,O=S(=O)(c1cccc(NCc2ccco2)n1)N1CCCC2CC21,5.44,5.871146869659424,0.15209354177637768,1626,2
OADMET-0003126,COc1ccc(C(NC(=O)N2CCC3(C2)C(=O)Nc2ccccc23)c2ccc(C)cc2)cc1,5.2,4.664633274078369,0.07106767660101329,1625,0
OADMET-0003125,COc1cc(NC(=O)C(C)c2c(F)cccc2F)cnc1OC,4.91,4.725523281097412,0.09466419479039352,1624,2
OADMET-0003124,O=C(N[C@]12CC[C@H](C[C@@H]1n1cc(-c3ccc4c(c3)CCC4)nn1)C2)c1cnc2cn[nH]c2c1,5.99,4.917511749267578,0.1397435092402233,1623,3
OADMET-0003123,CCC(Oc1ccccc1C)C(=O)N1CCC(c2ncccn2)C1,5.17,5.016570377349853,0.04633773116856166,1622,4
OADMET-0003122,COc1cc(OC)cc(C(=O)N(C)Cc2cccc(C)c2)c1,5.37,5.111749076843262,0.1002195261264355,573,4
OADMET-0003121,CN(C)Cc1cc(C(=O)NC(CC2CC2)c2cc(F)cc(Br)c2)no1,5.43,5.3826093673706055,0.12510385233228455,1621,0
OADMET-0003120,O=C1CCCN1Cc1ccccc1NCc1cnc(-c2ccsc2)s1,5.37,5.763430786132813,0.1251377173221248,1620,1
OADMET-0003119,CCOc1ccccc1CCC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,5.17,3.8416823387145995,0.07336831929802339,1619,2
OADMET-0003118,COc1cc(OC)c(S(=O)(=O)n2nc(C)cc2C)cc1S(=O)(=O)n1nc(C)cc1C,6.3100000000000005,5.760257148742676,0.09667799358173897,1618,3
OADMET-0003117,COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1,5.08,6.085751152038574,0.1827848480406909,142,3
OADMET-0003116,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1,5.19,5.057582855224609,0.08831945350411313,1617,4
OADMET-0003114,CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccsc3)cc21,5.13,4.931146907806396,0.0404480930393613,1616,0
OADMET-0003113,Cc1cc(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc12,5.62,4.797210025787353,0.11993949965017396,1615,1
OADMET-0003112,O=S(=O)(c1cncc(F)c1)N1CC(c2ccccc2)C2(CCC2)C1,5.54,5.377915859222412,0.13384010658036732,559,3
OADMET-0003111,N#Cc1cc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)cnc1C(F)(F)F,5.71,5.412925338745117,0.12692290782140514,1614,2
OADMET-0003110,O=C(NCc1ccc(O)c(Cl)c1)C1(c2ccccc2)CCCO1,5.45,4.395312976837158,0.1842978359115751,333,1
OADMET-0003109,O=C(NCC1(Cc2ccccc2)CCC1)c1cccc2cn[nH]c12,5.64,5.4479546546936035,0.06731432595157036,572,0
OADMET-0003108,CC1(c2ccccc2C(=O)N2CCOC3(CCS(=O)(=O)C3)C2)CC1,5.15,4.864974689483643,0.210630118840443,1613,3
OADMET-0003107,COC(=O)c1cnn(C)c1NC(=O)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1,5.48,5.364004611968994,0.11198375063618303,1612,4
OADMET-0003106,CC1(C)CC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)c2ccc(F)cc2O1,5.43,4.871493244171143,0.08114449139776748,74,3
OADMET-0003105,O=S(=O)(c1ccc(CNC2(Cc3ccc(F)cc3)CCOCC2)o1)N1CCCC1,5.5,4.986382293701172,0.16338258210077386,1611,0
OADMET-0003104,CCc1cccnc1C(=O)NCc1cc2ccccc2n(C)c1=O,5.46,4.716600227355957,0.11299653176454585,378,1
OADMET-0003103,O=C(NCC1(Cc2ccccc2)CCCCC1)C1CCCc2[nH]nnc21,5.22,5.285762596130371,0.08175909864247471,572,0
OADMET-0003102,CC(C)c1c(C(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1ccccc1Cl,5.82,5.289575004577637,0.11314154071540572,1610,1
OADMET-0003101,Cc1cccc2oc(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cc12,5.61,4.645147705078125,0.16067745789095575,274,3
OADMET-0003100,CCc1ncnc(NC(c2ccc(OC)cc2)c2nccn2C)c1F,4.99,4.055412864685058,0.09063065048055718,1609,2
OADMET-0003099,CC(C)C(=O)Nc1nc(CC(=O)N2CCCN(C)c3cc(F)ccc32)cs1,5.7,5.784872055053711,0.2015033879540001,1608,3
OADMET-0003098,CCC1(CC)CNC(=O)C1NC(=O)CCOc1ccccc1F,5.14,4.951668357849121,0.07346314956203262,1607,4
OADMET-0003097,CCOc1ccc(OCC)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1,5.9,5.45049352645874,0.10008648022476449,142,3
OADMET-0003095,O=C(Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1)C1CC1,4.77,4.327404975891113,0.07270834768648939,571,0
OADMET-0003094,COC(C)(C(=O)O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1,5.02,3.0951627254486085,0.24252650450288415,1606,0
OADMET-0003093,O=C(NCCC1C(=O)Nc2ccccc21)c1cc2c(s1)CCCCC2,4.76,5.196752834320068,0.06737695068201792,1605,1
OADMET-0003092,Cc1ccc(S(=O)(=O)NCCC(=O)N2CCNC(=O)C2)cc1C,3.69,3.4306173801422117,0.07073253632412409,1604,4
OADMET-0003090,CC(NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NCc1ccco1,4.86,4.913142108917237,0.10736844083719156,1603,3
OADMET-0003089,O=C(Cn1c(=O)oc2ccc(F)cc21)N1CCC(C(=O)N2CCCC2)CC1,2.08,3.896283006668091,0.07002686382594078,539,4
OADMET-0003088,CC12CC(NC(=O)N1Cc1cccc(F)c1)c1ccccc1O2,6.14,5.410728836059571,0.1686042541686033,1602,3
OADMET-0003087,Cc1ccc2nc(NC(=O)N3CCc4cn[nH]c4C3)sc2n1,3.13,3.503275680541992,0.14257811941648185,570,1
OADMET-0003086,CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccnn1C1CCC1,2.01,3.8833366870880126,0.06406296045292179,1601,4
OADMET-0003085,Cn1cnc2c1CCN(C(=O)c1nc(-c3cccs3)n(-c3ccccc3)n1)C2,4.21,4.920493793487549,0.13343063612996028,569,2
OADMET-0003084,Cc1ccc2c(c1)CN(C(=O)Nc1cc(C)n(C(C)C)n1)CCO2,5.42,5.137381076812744,0.06878299741999849,1600,0
OADMET-0003083,Cc1ccc(-n2[nH]c(C(=O)NC(C)(C)C(C)(C)O)cc2=O)cc1,1.76,3.199393653869629,0.1787800580269787,1599,1
OADMET-0003082,c1cnc2ccc(CNc3ncnc4sccc34)cc2c1,1.77,2.7598753452301024,0.09591208841305437,568,4
OADMET-0003081,Cc1cccc(-c2noc(C3CN(C)C(=O)c4ccccc43)n2)c1,5.59,4.65561695098877,0.034069992754951005,390,0
OADMET-0003080,Cc1c(C(C)C)n[nH]c1NC(=O)C(C)(C)Nc1ccccc1,4.89,4.722146606445312,0.08151620485051884,1598,2
OADMET-0003079,Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)nn1,2.88,4.147538948059082,0.0643869202818933,1597,3
OADMET-0003078,CCOc1cccnc1N1CCN(c2nc(C)cc(C)n2)CC1,5.28,4.877084445953369,0.06454950750516689,567,1
OADMET-0003077,CC(C)C(NC(=O)c1cc(C(F)F)n(C)n1)c1nnc2ccccn12,4.32,4.695842361450195,0.07732456239019729,1596,4
OADMET-0003076,CCOC(=O)[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2nc[nH]c(=O)c12,3.86,3.2686771869659426,0.07024619226864871,1595,0
OADMET-0003075,Nc1nccc(C2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)C2)n1,4.99,4.397530364990234,0.18079656259818852,305,3
OADMET-0003073,CC(CO)(CNc1ncnc2sccc12)Cc1cccs1,3.14,3.2095198154449465,0.14976218873151428,1594,1
OADMET-0003071,c1cc(C2(c3noc(Cc4cnn5c4CCCC5)n3)CCC2)ccn1,5.59,4.687322044372559,0.13060000651412174,1593,2
OADMET-0003070,CN(C)c1cncc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1,5.25,4.604307746887207,0.1278950410454688,1592,3
OADMET-0003069,OCC(Nc1ncnc2c1oc1ccccc12)c1c(F)cccc1F,5.7,4.798889827728272,0.03237515234847533,1591,4
OADMET-0003068,O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1,5.41,5.217942714691162,0.10744064438179383,157,1
OADMET-0003067,CC(C)(C)OC(=O)NC(c1nc(Cc2cccnc2)no1)C1CCC1,5.21,4.780169868469239,0.09066686461188708,103,3
OADMET-0003066,CCCN1Cc2cccc(NS(=O)(=O)c3ccc(OC)c(F)c3C)c2C1,5.07,5.142743492126465,0.17930481489236627,1590,0
OADMET-0003065,Cc1ccc(F)c(Br)c1C(=O)NCC(C)(C)C1CCOCC1,5.14,5.207175540924072,0.0595723712496198,566,0
OADMET-0003064,Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(C#N)n1C,5.32,4.636212348937988,0.17811219108214615,1589,1
OADMET-0003063,O=C(NCc1nnc(C2CC2)o1)c1noc2c1CCc1ccccc1-2,5.11,4.625850200653076,0.13061802069565628,1588,2
OADMET-0003062,Cc1cnc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)c(C)c1,4.84,5.0401890754699705,0.12196426114094569,1587,3
OADMET-0003061,Cc1c(CN(C)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cnn1C,4.94,5.0843424797058105,0.08059249850806166,1586,4
OADMET-0003060,CCc1ccc(NCc2nc(C)c(C)s2)cc1S(N)(=O)=O,5.45,5.3737060546875,0.12322138522039859,1585,0
OADMET-0003059,Cc1ccc2[nH]c(C(=O)N3CCNC(=O)C3c3ccccc3F)cc2c1,5.17,4.3025257110595705,0.09880987034696075,31,3
OADMET-0003057,CC(C)c1nccc(N2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)n1,2.1,3.868941640853882,0.08141833179722109,1584,1
OADMET-0003056,NC(=O)c1cccc(NC(=O)NCC2C3CC4CC(C3)CC2C4)c1,4.94,4.982316017150879,0.24049671799701414,1583,2
OADMET-0003055,Cc1cc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)cnc1C,5.63,5.416685676574707,0.14351175334831914,273,2
OADMET-0003054,O=c1[nH]c(-c2ccncn2)nc2sc(-c3ccccc3)cc12,3.63,3.6665825843811035,0.10296474026395985,1582,2
OADMET-0003053,O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2CCC(O)C2C1,4.87,5.073070812225342,0.09612280648351797,1581,4
OADMET-0003052,CC(C)(NS(C)(=O)=O)c1cn(-c2cc(Cl)cc(Cl)c2)nn1,4.84,4.524691581726074,0.11302689633722095,565,1
OADMET-0003051,COc1ccc(NC(=O)NC(C)c2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1,5.21,5.119520473480224,0.10047854772141034,564,1
OADMET-0003050,c1cc(N2CCCC2)ncc1-c1nc(-c2cn(C3CC3)nn2)cs1,3.8,4.514362144470215,0.06505435917911767,1580,4
OADMET-0003049,COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cc(O)c3ccsc3c2)o1,5.18,4.911176681518555,0.15377587111215862,1579,3
OADMET-0003048,CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3C)CCC1)C2,6.46,5.485811042785644,0.16012697724039013,1578,3
OADMET-0003047,C=CCn1c(SCC(=O)NCc2ccco2)nc2scc(-c3ccc(C)cc3)c2c1=O,5.03,4.8914400100708,0.12559808857295282,1577,4
OADMET-0003046,O=C(c1ccc2c(c1)CCCN2)N1CCCCC1C(F)F,5.355,5.377044773101806,0.07139163242595145,1576,0
OADMET-0003045,COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,5.22,5.242876720428467,0.07254891130274167,563,0
OADMET-0003044,COc1cc(Cl)ccc1S(=O)(=O)NC(C)c1nc2ccccc2n1C(F)F,5.59,5.490051651000977,0.0853934956863023,546,0
OADMET-0003043,COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(C)C,6.34,6.089146709442138,0.06702038862456458,563,0
OADMET-0003042,Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cs1,5.0,4.428523349761963,0.19872982296452296,562,2
OADMET-0003041,CC(C)CCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,5.36,5.53271074295044,0.13981213269051718,561,3
OADMET-0003040,Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1,5.04,4.882988834381104,0.09796392317632632,1575,1
OADMET-0003039,CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1,5.42,4.311145973205567,0.12968352223300045,1574,2
OADMET-0003038,O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2F)cc1,4.87,5.038342475891113,0.12290960432503494,1573,3
OADMET-0003037,N#Cc1c(NC(=O)c2cccc(F)c2Cl)n(CCc2ccccc2)c2nc3ccccc3nc12,5.58,5.48493013381958,0.057685011292326775,1572,4
OADMET-0003036,COc1ccc(-n2c(SCc3cc(C)no3)nc3ccccc3c2=O)cc1,5.11,4.47768726348877,0.06561165650098764,1571,0
OADMET-0003035,COc1ccc(OCC(=O)NCC2c3ccccc3C(=O)N2C)cc1,5.27,4.338389492034912,0.092902619775109,123,4
OADMET-0003034,O=C(Nc1cccc(N2CCNC2=O)c1)N1Cc2ccccc2C(c2ccccc2)C1,5.22,4.411405849456787,0.1191741572801922,538,3
OADMET-0003033,CC(C)c1ccccc1NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C,5.16,5.823049831390381,0.08949234091834357,1570,1
OADMET-0003032,COc1cc(Cl)ccc1NC(=O)c1cccc(Nc2cnccn2)c1,4.31,4.441899204254151,0.09233423136919797,560,2
OADMET-0003031,CC(NC(=O)CC(C)(C)C)C(=O)NCC1CCN(c2ccc(F)c(F)c2)C1,4.99,5.209557819366455,0.10956400649989474,1569,2
OADMET-0003030,Cc1ccc(C)c(NC(=O)C(c2ccccc2)N2CCC(c3nnc4ccccn34)CC2)c1,5.04,4.991191959381103,0.11909514082022668,1568,3
OADMET-0003029,Cc1scc(C(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCCC3)c1C,5.44,5.503619194030762,0.0919517940159433,1567,4
OADMET-0003028,CC(NC(=O)N1CC(O)CC1C1CC1)c1cccc2cccnc12,5.22,5.001214790344238,0.1459602794219173,1566,0
OADMET-0003027,CC(C)(C)c1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1,4.98,4.950636291503907,0.17290629218366865,1565,1
OADMET-0003026,CC(C)(C)OC(=O)NC1CCCC2CN(C(=O)C3(Cc4ccccc4)CC3)CC21,5.8,5.899373531341553,0.11151526866414538,1564,2
OADMET-0003025,O=c1c2ccccc2n2c(SCC3CC3)nnc2n1Cc1ccccc1,5.6,5.355735874176025,0.10769947266065122,1563,3
OADMET-0003024,CC1(C)CC(NC(=O)CCn2cnc3ccccc3c2=O)c2ccc(F)cc2O1,5.09,4.624232006072998,0.041982837401849486,74,3
OADMET-0003023,COc1ccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1Cl,4.88,4.829590892791748,0.07047006871225484,1562,4
OADMET-0003022,CC1(C)CCN(c2nccnc2S(N)(=O)=O)CC1c1ccccc1,5.19,5.318812274932862,0.08350570031006299,1561,0
OADMET-0003021,CCC(C)NC(=O)c1ccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1,5.53,4.897617530822754,0.1335080887917291,1560,1
OADMET-0003020,COc1ccc(C(CC(=O)N2CCC(C)C3(CCC3)C2)NC(C)=O)cc1,5.28,5.334977531433106,0.17175088120603543,1559,2
OADMET-0003019,C[C@H]1[C@H]2CN(S(=O)(=O)c3csc4ccccc34)[C@]1(C(=O)O)C2,4.63,4.455838680267334,0.1490875642269658,1558,1
OADMET-0003018,CC(COCC1CCCCC1)NC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F,4.65,4.664652347564697,0.13830502813951692,1557,0
OADMET-0003017,CC(CC(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1)C1CCCCC1,6.205,3.945316791534424,0.10776554171414468,1556,4
OADMET-0003016,O=C(NC1CCCOc2cc(F)ccc21)c1ccc(N2CCCC2=O)cc1,4.75,5.180889701843261,0.07269222529594986,60,4
OADMET-0003015,COCC1(c2noc(-c3cccc(C)c3O)n2)CCCCO1,4.91,4.94173231124878,0.09576684430041395,1555,4
OADMET-0003014,CC(Nc1ncnc2sc3c(c12)CCC3)c1ncccn1,5.24,3.914622735977173,0.1347366832076214,1554,0
OADMET-0003013,Cc1ccc(CNC(=O)Nc2nnc(-c3ccccn3)s2)c(OC(C)C)c1,4.78,5.2060112953186035,0.11925688458744063,1553,1
OADMET-0003012,CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNS(=O)(=O)CCn1cccn1,4.78,4.208758544921875,0.22675535259725596,1552,2
OADMET-0003011,CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(C(F)(F)F)c1,5.72,5.250372219085693,0.10371362734667,1551,3
OADMET-0003010,Cc1onc(N)c1S(=O)(=O)N1CC(c2ccccc2)C2(CCC2)C1,5.63,5.413210773468018,0.06164307725491879,559,3
OADMET-0003009,O=C(NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C1C2CCCCC21,4.94,4.609002876281738,0.09161285989304281,1550,4
OADMET-0003008,COc1ccccc1C1(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)CCC1,5.27,5.846823120117188,0.10093103756117582,62,4
OADMET-0003007,CC(C)n1ncc2cc(NS(=O)(=O)c3cncc(Cl)c3)cnc21,4.6,4.6652318954467775,0.123103061900981,1549,0
OADMET-0003006,CC(NS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCOC1,5.15,5.289069080352784,0.11307623964725026,1548,1
OADMET-0003005,Cc1cccc(N2CC(C(=O)N(C)c3ccc(Cl)cn3)CC2=O)c1C,5.17,4.446120548248291,0.10610554959129258,1547,2
OADMET-0003004,O=C(NCc1ccccc1-c1ccncc1)C(O)c1cccc(C(F)(F)F)c1,5.16,4.538035678863525,0.0896969555670519,1546,3
OADMET-0003003,O=C1CNC(=O)c2ccc(C(=O)N3CC4CCCCC43c3ccccc3)cc2N1,5.23,4.770748043060303,0.18239092800483933,1545,3
OADMET-0003002,Cn1nc(CNC(=O)Nc2cccnc2-c2ccccc2)cc1C1CC1,5.38,4.857348537445068,0.10294846661651963,272,0
OADMET-0003001,O=C(NCC(c1cccc(Cl)c1)N1CCOCC1)c1cccc2c1CCC2,5.46,5.54940881729126,0.14156201932474802,558,0
OADMET-0003000,C=C1CCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1,4.69,4.416417407989502,0.08924029573580694,1544,0
OADMET-0002999,CC(C(=O)NCC1CC(=O)N(Cc2ccccc2)C1)c1cn(C)c2ccccc12,5.11,4.612700939178467,0.09608252594652647,510,3
OADMET-0002998,CCn1cccc(NC(=O)N2CCCC(C(C)C)CC2)c1=O,5.28,5.695912075042725,0.1948882719874493,557,1
OADMET-0002997,OCC1(NCc2cc(O)cc(Cl)c2)CCCc2ccccc21,5.25,5.1903070449829105,0.09062218222318527,1543,1
OADMET-0002996,O=C(Cc1ccc2[nH]ncc2c1)NCC[C@H]1CCCC[C@H]1O,3.65,4.136544036865234,0.08141362525833681,1542,2
OADMET-0002995,O=C(c1ccccc1)N1CCC(C(=O)N2CCCc3n[nH]cc32)CC1,3.43,3.804382801055908,0.18982204848866865,1541,3
OADMET-0002994,CC(C(=O)NC(C)(C)C(=O)Nc1ccccc1)c1ccccc1F,4.73,4.940702819824219,0.14048057149978121,1540,4
OADMET-0002993,Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccc1O,5.06,4.932623958587646,0.1993248520435663,104,1
OADMET-0002992,CC1(C(=O)Nc2ccc3c(c2)NC(=O)CCC3)CCc2ccccc2C1,6.02,5.113027954101563,0.09131867144602289,1539,0
OADMET-0002991,CCC(NC(=O)c1ccc(CO)cc1OC)C1Cc2ccccc2C1,5.15,4.866378593444824,0.13938876329572647,1538,1
OADMET-0002990,CC(=O)N1CS(=O)(=O)CC1C(=O)Nc1ccc(Cl)cc1C,3.35,3.075075387954712,0.04883817275842754,1537,2
OADMET-0002989,O=C(CCC1CCNCC1)Nc1ccc(-n2ccnc2)cc1,3.16,2.6838082313537597,0.18708704497812606,1536,3
OADMET-0002988,COC(=O)CC1CN(C(=O)c2cc(C(F)(F)F)ccn2)c2ccccc21,5.18,5.230160045623779,0.05774201734993447,1535,2
OADMET-0002987,Cc1conc1CS(=O)(=O)NC(C)c1oc2ccccc2c1C,5.61,5.2718476295471195,0.0761604080201355,1534,3
OADMET-0002986,Cn1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O,4.6,4.752489757537842,0.10945038132924911,1533,4
OADMET-0002985,O=C(Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1Br,5.105,4.666512107849121,0.14052887051135554,1532,2
OADMET-0002984,Cc1c(C(=O)NCc2coc3ccccc23)cnn1C(C)C,5.09,4.637783622741699,0.12055517354311508,1531,4
OADMET-0002983,C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cccnc2)CC1,4.95,4.408251762390137,0.08678724589536768,1530,0
OADMET-0002982,Cc1c(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)nnn1-c1cccc2cccnc12,5.31,4.5958150863647464,0.13537716563950727,1529,1
OADMET-0002981,CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O,5.97,5.226730728149414,0.07617244666717299,1528,2
OADMET-0002980,Cn1cc(C(=O)NC(CO)c2ccccc2C(F)(F)F)n(C)c1=O,3.17,4.311245155334473,0.16120371542156545,556,2
OADMET-0002979,Cc1cc(-c2cc(C(=O)NCc3ccnc(-n4cccn4)c3)c3c(C)noc3n2)c(C)s1,5.59,4.729173469543457,0.10555805697306811,1527,3
OADMET-0002978,CCn1c(-c2cc3c(s2)CCC(C)C3)nnc1N1CCCN(C(C)=O)CC1,5.11,5.790503311157226,0.1017172151822046,1526,4
OADMET-0002977,CN(CC1CC1)S(=O)(=O)Nc1ccc(F)cc1OCC(F)F,5.02,5.31356372833252,0.14293660508472406,1525,0
OADMET-0002976,COC(=O)c1cc(S(=O)(=O)N(CCC2CC2)CC2CC2)n(C)c1,4.93,4.668776988983154,0.08561449516892647,1524,1
OADMET-0002975,O=C(NCCc1cccc(Cl)c1)N1CCCC2(CCC2)C1,5.71,5.763614082336426,0.12245956598384368,1523,2
OADMET-0002974,O=C(Cc1ccc(Br)cc1F)NCCCNc1ccccn1,4.755,4.116895914077759,0.1190507791307909,1522,3
OADMET-0002973,OC[C@H]1CN(c2nsc(C3CC3)n2)C[C@@H]1c1ccccc1,5.55,4.681455516815186,0.12308645483566616,1521,4
OADMET-0002972,CN(C)c1cc(C#N)cc(C(=O)N2CCC3C(CCCN3C3CC3)C2)c1,5.26,4.569533348083496,0.07424525028848988,1520,0
OADMET-0002971,CC1C(=O)N(Cc2noc(C(C)(C)C)n2)C(=O)c2ccccc21,5.79,5.004025173187256,0.160563189656332,530,1
OADMET-0002970,CCCOc1ccc(Cl)cc1NC(C)c1nc(C(C)C)no1,5.28,5.465072727203369,0.10049221381150458,1519,1
OADMET-0002969,Cc1cc(C)n(CCCC(=O)N2CCCC2c2ccco2)n1,5.08,5.3769145011901855,0.07065674855323685,141,2
OADMET-0002968,CC1(CO)CCCN1C(=O)c1cccc(COc2cccc(F)c2)c1,5.32,5.538673019409179,0.12840030684824713,1518,2
OADMET-0002967,O=S(=O)(Cc1ccno1)NC(c1ccc(Cl)cc1)C1CCC1,4.83,4.9485241889953615,0.0866287389977716,1517,3
OADMET-0002966,CON(C)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1,4.96,4.94182071685791,0.132109946998601,1516,4
OADMET-0002965,CC(Nc1ncnc2nc(N3CCOCC3)sc12)c1cc(F)ccc1N1CCC(O)CC1,5.01,4.0060077667236325,0.06492061328989641,1515,0
OADMET-0002964,COc1ccc(F)cc1C(=O)NC1CCN(c2ncccc2Cl)C1,5.404999999999999,4.312236213684082,0.16314772516661113,100,2
OADMET-0002963,C=CCC1(NC(=O)c2nn[nH]c2-c2ccccc2)CCOCC1,4.74,4.648687362670898,0.135032657673685,1514,1
OADMET-0002962,CCN(Cc1nnc(-c2ccccc2OC)o1)c1cccc2ccccc12,5.88,5.710463142395019,0.10731137498885324,1513,2
OADMET-0002961,Cc1ccc(C(C)(C)CNC(=O)c2ccn(C)c2-c2ccccc2)nc1,5.71,5.105105972290039,0.18923660565908815,555,1
OADMET-0002960,O=C(Nc1ccc(F)cc1)C1CCc2ccccc2N1C(=O)C1CCN(c2ncccn2)CC1,5.11,4.458244895935058,0.1597011115413016,1512,3
OADMET-0002959,CC(C)C(O)Cc1ccccc1-c1ccc2c(c1)C(=O)NCCO2,4.94,4.244399833679199,0.13961044268525796,554,1
OADMET-0002958,CC(C)(C)c1cc2n(n1)CCN(C(=O)c1nccc3ccccc13)C2,5.35,4.999154663085937,0.13043417754266384,1511,1
OADMET-0002957,C[C@H]1OCCO[C@H]1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1,5.12,5.289599132537842,0.09780549545312438,553,0
OADMET-0002955,O=C(CCc1ccccc1N1CCOCC1)N1CCCCCC1CO,5.53,5.061131572723388,0.04138112726956841,552,4
OADMET-0002954,CCCN1CCCN(C(=O)c2ccccc2NC)CC1=O,5.12,4.4097906112670895,0.07081572125264385,1510,0
OADMET-0002953,CCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1S(N)(=O)=O,5.25,5.769386196136475,0.05670545901620043,551,4
OADMET-0002952,Cc1c[nH]nc1C(=O)N1CCCC1(C)Cc1ccc(OC(F)(F)F)cc1,5.64,5.178319644927979,0.14279439562479124,548,1
OADMET-0002951,CC1CCCC(C(=O)N2CCCC(N(C)CC(=O)O)CC2)C1,3.25,4.353182411193847,0.030137202462424368,1509,0
OADMET-0002950,CCN(C(C)Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1-c1ccno1,5.800000000000001,5.048008823394776,0.09160165309391186,1508,1
OADMET-0002949,CCn1nc(NC(=O)N(CC2CCCCC2)C2CC2)cc1C1CC1,4.97,5.577470684051514,0.1254455315874879,1507,2
OADMET-0002948,O=C(COc1ccccc1)NC1CCN(c2ccccc2)C1,4.64,4.3739293098449705,0.11528947812888872,25,2
OADMET-0002947,Cc1nnnn1-c1cccc(NC(=O)c2ccnn2C)c1,3.34,2.6750678539276125,0.2071699664854276,110,4
OADMET-0002946,Cc1ccc2cccc(S(=O)(=O)N3CCC=C(c4cnn(C)c4)C3)c2n1,5.915,4.8882060050964355,0.08579434948375632,1506,3
OADMET-0002945,Cn1cc(N2CC(C(=O)N3CC(=O)N(C4CC4)C3)CCC2=O)cn1,2.68,2.2461373805999756,0.20966450664005498,1505,4
OADMET-0002944,COc1ccccc1S(=O)(=O)N(C)C(C)Cc1cccc(F)c1,6.04,5.6806305885314945,0.05915241113762,1504,0
OADMET-0002943,CC(c1nnnn1C1CC1)N1CCCC(Nc2ccccc2)C1,5.16,4.9574666023254395,0.16322382319220768,550,3
OADMET-0002942,O=C(NC1CCOC2(CCCCC2)C1)c1ccc2c(n1)CCCC2,5.37,5.061067676544189,0.11097291938956538,1503,1
OADMET-0002941,O=S(=O)(c1ccc2c(c1)OCO2)N(CC1CC1)CC1CC1,5.51,5.683016300201416,0.16820808576751373,549,2
OADMET-0002940,CC1(C)CN(C(=O)NC2CCCC2CNS(C)(=O)=O)CCc2ccccc21,5.05,5.3435547828674315,0.07692698642383393,1502,2
OADMET-0002939,CC1(C)CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)[C@H]2CCC[C@H]21,5.17,5.247470283508301,0.20652870502833762,1501,3
OADMET-0002938,COc1cccc(-c2cc(CNC(=O)[C@H]3OC[C@H]4CCC[C@H]43)on2)c1,4.6,4.8020414352417,0.10002939971829775,1500,4
OADMET-0002937,CSCC(C)(O)CNc1ncccc1S(=O)(=O)NCC1CC1,4.85,4.381274318695068,0.11786707490150827,1499,0
OADMET-0002936,CN(C)c1noc(C2CCCN(c3ncnc4sccc34)C2)n1,4.64,3.3411966800689696,0.061509271836805504,1498,1
OADMET-0002935,O=C(NCc1csc2ccccc12)c1cc(C2CC2)[nH]n1,5.28,5.146958065032959,0.09960439246332256,1497,2
OADMET-0002934,CN(C1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccs1,4.9,5.245176124572754,0.12002366770211603,1496,3
OADMET-0002933,CC1CCOCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1,5.26,4.89307222366333,0.1528893039069932,40,1
OADMET-0002932,N#Cc1ccc2c(c1)N(C(=O)C(C1CCC1)C1CCC1)CC(=O)N2,5.17,5.12048568725586,0.054428415665337494,1495,4
OADMET-0002930,CC1(Cc2ccc(F)cc2)CCCN1C(=O)COc1cccnc1,5.53,5.454940605163574,0.10733713794398529,548,1
OADMET-0002929,O=C(Nc1cc2n(n1)CCCC2)N1CCN(c2ncnc3sccc23)CC1,3.1,3.520651865005493,0.06554432537723558,547,0
OADMET-0002928,CNc1ccccc1C(=O)NCc1ccn(C2CCCC2)n1,5.54,4.548963451385498,0.0996637211214614,271,4
OADMET-0002927,COc1cccc(C(NC(=O)CC2(CSC)CC2)c2nccn2C)c1,5.1,5.263260841369629,0.15963532706914318,179,2
OADMET-0002926,CCc1ccc(C2CCCCN2C(=O)c2cc(C(F)F)ncn2)o1,4.87,4.7164918899536135,0.05918955878284791,1494,0
OADMET-0002925,Cn1c(=O)c2cc(C(=O)N3CCCC(n4ccnn4)C3)cnc2n(C)c1=O,3.58,3.81181960105896,0.08096090527652113,39,2
OADMET-0002924,CCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1,3.78,3.659787321090698,0.09627418527749501,1493,1
OADMET-0002923,CN(C)c1ncccc1CNC(=O)NC1(c2ccccc2)CC1(C)C,5.27,5.377964210510254,0.11132385215569253,1492,2
OADMET-0002922,Cc1noc(C)c1C(=O)NC1CCN(c2ccccc2C(F)(F)F)C1,5.42,4.396703815460205,0.10401098560251332,65,4
OADMET-0002921,CC(NCc1nc2ccccc2n1C(F)F)c1nc2ccccc2n1C(F)F,5.79,5.245635223388672,0.08515627639647591,546,0
OADMET-0002920,CC1(C)COc2c(C(=O)N3CCCC(n4ccnn4)C3)cccc21,5.2,5.549653816223144,0.12967574626281023,39,2
OADMET-0002919,Cc1ccccc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1,4.85,5.16046781539917,0.14735713607006076,9,2
OADMET-0002918,Cc1ccc(C)c(NC(=O)N2CCCC3(CCOC3)C2)c1,4.8,5.222337818145752,0.09911258649110605,140,0
OADMET-0002917,Cn1cc(-c2ccc(F)c(C(=O)NCC[C@H]3CCCC[C@H]3O)c2)cn1,3.95,3.8960476398468016,0.14693655971724107,270,2
OADMET-0002916,Cc1cc(C)n(CCCC(=O)N2CCO[C@H]3COCC[C@H]32)n1,5.22,4.460737419128418,0.1642226460446725,141,2
OADMET-0002915,N#CCCCn1cc(C(=O)N2CCN(Cc3cccs3)CC2)c2ccccc21,4.97,4.002032375335693,0.13481932561858512,1491,3
OADMET-0002914,COC(=O)CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)C1CC1,5.46,5.455175304412842,0.061134082374003404,1490,4
OADMET-0002913,O=C1CCC2(C(=O)N3CCOc4cc(O)ccc4C3)Sc3ccccc3N12,5.22,4.922599411010742,0.12392199265397867,1489,3
OADMET-0002912,CC(C)c1ocnc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(F)F,6.13,4.775523090362549,0.20867124161473574,1488,3
OADMET-0002911,CCOc1cccc(CC(=O)NC2CCCOc3ccccc32)n1,5.06,5.458790874481201,0.024967696463851698,269,4
OADMET-0002910,CCOc1cccc(CCC(=O)N2CCCNC(=O)[C@@H]2CC)c1,5.035,5.069843292236328,0.13841401366963196,101,1
OADMET-0002909,CC(C)N(C(=O)c1n[nH]c2ccccc2c1=O)c1ccc(Cl)cc1,4.78,5.278831100463867,0.11317522805429543,1487,0
OADMET-0002908,Cn1nc(C(=O)N2CCOc3ccccc3C2CO)c2ccccc21,5.19,4.9757414817810055,0.10744840368812768,545,4
OADMET-0002907,CSCc1cccnc1C(=O)N(Cc1ccccc1)C1COC(C)(C)C1,5.51,4.998844051361084,0.08468375342883025,1486,4
OADMET-0002906,COCC(Cc1ccccc1)N(C)C(=O)c1cc(-c2cccs2)n[nH]1,5.54,4.910651588439942,0.15659809286301604,1485,2
OADMET-0002905,CO[C@H]1COC[C@H]1NC(=O)c1c(Cl)cccc1OCC1CC1,4.72,4.992520999908447,0.1159703983107639,177,4
OADMET-0002904,CCn1ccc(C(=O)Nc2cccc3c2OC(C)(C)CC3O)c1C,5.44,4.854272651672363,0.1470127404157849,1484,3
OADMET-0002903,COc1cc(C(=O)N2CCCCC2c2ncccn2)cc(OC)c1C,5.4,5.135883426666259,0.040136178925746634,32,4
OADMET-0002902,CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC(C)(O)CC2)c1,5.74,5.536675643920899,0.1285915057757669,544,4
OADMET-0002901,O=C(NCC(=O)N1CCCC1C=Cc1ccccc1)NC1CCCCC1,5.14,5.052155685424805,0.13372487955188256,529,2
OADMET-0002900,CC(C)C1c2ccccc2CCN1c1cncc(C#N)n1,5.95,5.349529266357422,0.12199506785695667,543,3
OADMET-0002899,Cc1ccc2snc(C(=O)NC(c3cnn(C)c3)C(C)C)c2c1,5.78,4.93604040145874,0.10396745959058025,1483,2
OADMET-0002898,O=C(O)C1(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CCC1,2.54,4.181494522094726,0.03720971277816992,1482,4
OADMET-0002897,CC1CCN(S(=O)(=O)c2ccc(C#N)cc2NCCCO)CC1,4.89,5.024773693084716,0.19076934921530056,1481,3
OADMET-0002896,COc1ccccc1-c1n[nH]c(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1C,5.42,3.5773351192474365,0.09026233621084553,270,2
OADMET-0002895,Cc1ccn2ncc(C(=O)NCC(F)(F)c3ccc(F)cc3F)c2c1,5.43,4.678183746337891,0.07824516583642074,542,2
OADMET-0002894,O=C1NC(=O)C2(CCCN(C(=O)Cn3c(-c4ccccc4)cc4ccccc43)C2)N1,5.1,4.2504230499267575,0.09351950372705796,1480,3
OADMET-0002893,O=C(NCCc1cnn(-c2ccccc2)n1)C1(c2ccc(Cl)cc2)CC1,5.09,5.398850822448731,0.13736937202165897,316,3
OADMET-0002892,Cc1onc(OC(F)F)c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C,5.42,5.002811241149902,0.07794632869523402,61,0
OADMET-0002889,Cc1cc(CNC(=O)N2CCCC3(C=Cc4ccccc4O3)C2)no1,4.79,4.980100631713867,0.09318787255434889,1479,4
OADMET-0002888,O[C@@H]1C[C@H]2CN(c3cccc(-n4cnc5ccccc54)n3)CCN2C1,2.67,3.195041799545288,0.13467016224264747,499,4
OADMET-0002887,O=C(Nc1ccn(Cc2ccncc2)n1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12,4.96,4.409204387664795,0.136892950143336,541,1
OADMET-0002886,Cc1ncccc1Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)no1,1.77,3.8966392040252686,0.1309881183003033,1478,0
OADMET-0002885,NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc1,1.78,2.4541956424713134,0.2205483141574301,1477,1
OADMET-0002884,COc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1,5.21,5.1062291145324705,0.14237561949535146,1,2
OADMET-0002883,CSCCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(CC2CC(C)C2)n1,5.48,5.535692024230957,0.09078674815659502,1476,2
OADMET-0002882,O=C(Nc1cc(Br)ccn1)N[C@@H]1CCCc2cccnc21,5.25,4.719538974761963,0.11924291499280855,268,1
OADMET-0002881,CCOC(=O)C1(F)CN(c2ncnc3[nH]cc(CC)c23)CC12COC2,1.76,2.3052958488464355,0.09405374252430826,89,2
OADMET-0002880,CC[C@H]1C(=O)NCCCN1Cc1oc(-c2ccccc2)nc1C,5.06,4.440040588378906,0.1610652286677843,139,3
OADMET-0002879,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1,5.42,4.8007501602172855,0.1108245481006739,1475,3
OADMET-0002878,Cc1ccc(F)c2[nH]c(C(=O)Nc3cccc(C4(C)NC(=O)NC4=O)c3)cc12,5.0,4.98829927444458,0.11972637997613296,315,1
OADMET-0002877,Cn1cc(NC(=O)Cc2cccc(Cl)c2)c2ccccc2c1=O,3.08,4.781764888763428,0.1119674396505271,1474,2
OADMET-0002876,O=C(NC1CCCN(C(=O)C2Cc3ccc(F)cc32)C1)c1ccc2ccccc2c1,5.34,5.1531092643737795,0.0783140950771031,1473,0
OADMET-0002875,CCc1n[nH]c2ncnc(N3CC4(C3)SCCC4C(=O)OC)c12,1.99,2.6449563980102537,0.12581151159783002,1472,1
OADMET-0002874,Cn1ccnc1C(Nc1nccn2ncc(Br)c12)c1ccccc1,5.33,4.980936527252197,0.14560409473521435,1471,0
OADMET-0002873,Cc1nccnc1C(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,5.22,4.218593692779541,0.09283569382306639,540,0
OADMET-0002872,CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C,4.74,5.16529598236084,0.1064966355086042,218,4
OADMET-0002871,CCCc1cc(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)[nH]n1,5.16,4.054097414016724,0.11159520135415783,539,4
OADMET-0002870,CN(C)c1cccnc1CNC(=O)Nc1cccc(-c2ncco2)c1,5.07,4.62920618057251,0.09804664341876192,1470,2
OADMET-0002869,O=C(CSc1ncccn1)N1c2ccccc2CCc2ccccc21,5.51,5.022231197357177,0.10155546350915395,267,2
OADMET-0002868,CC1OC(=O)NC1C(=O)N(C)CCc1cccc2ccccc12,5.44,4.933752059936523,0.06983572194111043,1469,3
OADMET-0002867,O=C1OC(c2ccccc2)CC1C(=O)N1Cc2ccccc2C(c2ccccc2)C1,5.12,4.649431800842285,0.15244860449381395,538,3
OADMET-0002866,O=C(Nc1c[nH]nc1-c1ccccn1)c1n[nH]c2ccccc12,3.47,4.539082431793213,0.13954802746125916,1468,4
OADMET-0002865,Cc1cccc(C(C)(C)C(=O)NCc2nnnn2-c2ccc(F)cc2)c1,5.44,5.142658329010009,0.11250772205359277,266,1
OADMET-0002864,O[C@@H](CNc1nc(C(F)(F)F)nc2[nH]cnc12)c1ccc(Cl)cc1,4.94,4.4709153175354,0.11077169741193,1467,1
OADMET-0002863,Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccn1,1.79,2.9807034969329833,0.19420113880879494,95,1
OADMET-0002862,COCCN1C(=O)N[C@H]2CN(C(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)CC[C@H]21,2.57,3.6010581970214846,0.09616981129082242,1466,2
OADMET-0002861,O=S(=O)(Nc1ccc2occc2c1)c1cccc2cccnc12,5.83,5.349944591522217,0.0560694122400294,1465,3
OADMET-0002860,CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1cccc2c1OCC2,5.3,5.438513565063476,0.09883331366595034,158,4
OADMET-0002859,COc1cc(NCC2(C3CCCCO3)CC2)ccc1OC(F)F,5.83,5.425428009033203,0.052523057787848826,1464,1
OADMET-0002858,CCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4[nH]ccc34)CC2)cc1,2.82,2.2444414615631105,0.06573110887998217,1463,1
OADMET-0002857,N#Cc1ccncc1NCc1nc2c(s1)CC(c1ccccc1)CC2,5.86,4.846112060546875,0.1323943044339251,1462,0
OADMET-0002856,CCn1cc(-c2cn([C@@H](C)c3ccccc3Cl)nn2)cn1,5.545,4.533379936218262,0.14101570013713752,537,2
OADMET-0002855,CC(C)c1nc(CN(CC2(F)CCOCC2)c2nc(C3CC3)ns2)cs1,5.33,5.610507202148438,0.11896668294006453,1461,3
OADMET-0002854,CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C,5.59,5.629001712799072,0.12198151673128182,536,2
OADMET-0002853,Cn1ccnc1Cn1cc(-c2ccc3cnccc3c2)nn1,1.76,3.656538248062134,0.1836978956570219,1460,4
OADMET-0002852,CC1(CN(Cc2cnn(C(C)(C)C)c2)c2ncccn2)CCC2(CC1)OCCO2,4.86,5.701224899291992,0.0937466755023725,1459,1
OADMET-0002851,CCn1ccc(CN(CC2(c3ccccc3)CCOCC2)c2nc(C)ns2)n1,4.97,4.888522434234619,0.09806222047062725,1458,0
OADMET-0002850,CCc1cnc(N(Cc2ccn(C)n2)CC2CCCC(C)(C)O2)nc1,5.35,4.561575889587402,0.11222034250138103,1457,4
OADMET-0002849,COc1ccccc1C(C)(C)n1cc(COC2CCCCO2)nn1,5.44,5.25793046951294,0.15830536844792464,138,3
OADMET-0002848,Cc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)CCOC(C)C)c2)c(C)c1,5.69,5.523731708526611,0.06811311898679497,1456,0
OADMET-0002847,COc1ccccc1C(C)(C)n1cc(C2CCCS(=O)(=O)C2)nn1,5.27,4.928667259216309,0.1377618308940469,138,3
OADMET-0002846,Cn1nc(-c2cccnc2)cc1C(=O)N1c2ccccc2CC1(C)C,5.4,5.118163394927978,0.06943119746216588,495,0
OADMET-0002845,O=C(Nc1ncc(C2CC2)s1)c1cccn1C1CCCC1,5.71,5.376197338104248,0.18514787747996536,1455,1
OADMET-0002844,COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C,5.88,4.7493692398071286,0.0488969744051839,61,0
OADMET-0002843,Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1,3.84,4.280908870697021,0.06499459010882379,1454,2
OADMET-0002842,CC(NS(=O)(=O)C1CC12CCC2)c1nc(C2CCCCC2)no1,5.04,4.866028118133545,0.14411980482696682,1453,3
OADMET-0002841,CCN1CCc2cc(-c3nc4nccc(C#N)c4[nH]3)ccc21,5.45,5.12603063583374,0.1193171130784353,1452,4
OADMET-0002840,Cn1c(Cc2ccsc2)nnc1N1CCCc2ccccc2CC1,5.14,5.399176406860351,0.09298139702430969,1451,2
OADMET-0002839,CCc1c[nH]c2ncnc(N3CC4(CCOCC(=O)N4)C3)c12,1.74,1.9836023807525636,0.11899819822633137,89,2
OADMET-0002838,O=C(Cn1nnn(C2CC2)c1=O)N1c2ccccc2CCc2ccccc21,5.14,4.947106266021729,0.0584890414046086,260,4
OADMET-0002837,O=C(c1ccnc(CO)c1)N1CCN(c2cncc3ccccc23)CC1,1.73,2.8768004417419433,0.15215144216510573,1450,3
OADMET-0002836,Cc1nccc(N(CCC2CCCC2(F)F)Cc2c(C)cnn2C)n1,2.91,4.4950329780578615,0.1271821522710446,1449,2
OADMET-0002835,C/C=C/CCCN(Cc1cn[nH]c1)c1cc(C(N)=O)nc(C2CC2)n1,5.01,4.145302486419678,0.1402603454621895,1448,4
OADMET-0002834,COC(=O)CCc1ccccc1C(=O)N(C)CC(C)C1CCCCC1,5.64,5.837223529815674,0.2321370460643707,1447,3
OADMET-0002833,COc1ccc(CC(C)(CO)NC(=O)c2cc3c(C)cc(C)nc3s2)cc1OC,4.885,4.920330333709717,0.1562448404787291,1446,2
OADMET-0002832,N#CC1CC2(C1)CC(C(=O)N1CCc3sccc3C1c1ccccc1)C2,5.38,5.58727617263794,0.17759611881605555,1445,4
OADMET-0002831,Cc1ccc(-n2ccc(Cn3cc(C4CC4)nn3)n2)cc1,4.04,4.538062286376953,0.051316989427463294,1444,0
OADMET-0002830,O=S(=O)(Nc1cccc2c1CN(C1CC1)C2)c1sccc1C1CC1,5.4,5.600701808929443,0.15999488573529305,491,3
OADMET-0002829,O=S(=O)(c1ccccc1-c1ccccc1)N1CCC2CC21,5.64,5.926925945281982,0.12667606344350638,1443,1
OADMET-0002828,COc1cc2c(N3CCC(CS(C)(=O)=O)CC3)ccnc2cc1F,3.73,3.6139124393463136,0.1437231762261314,1442,2
OADMET-0002827,CCOC(=O)c1csc(C2CCCN2C(=O)Nc2ccc(C(C)(C)C)cc2)n1,5.91,5.455625343322754,0.12954041882874945,1441,0
OADMET-0002825,O=S(=O)(Nc1n[nH]cc1Cl)c1c[nH]c2cc(C(F)(F)F)ccc12,6.225,4.5863923072814945,0.10232745213064023,535,3
OADMET-0002824,CC1(C)Cc2cccc(C(=O)Nc3nnc(C(C)(C)C)s3)c2O1,6.52,6.174505138397217,0.09309268891860634,1440,2
OADMET-0002823,C#CCN(Cc1ccccc1)C(=O)C(C)NC(=O)c1cccc(Cl)c1Cl,5.39,5.127313232421875,0.14332646092447876,1439,3
OADMET-0002822,CN1CCCc2cc(CC(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)ccc21,5.47,5.497610092163086,0.06863591527746238,1438,4
OADMET-0002821,CCN1C(=O)c2ccc(C(=O)N3CC(C(C)C)Cc4cc(OC)ccc43)cc2S1(=O)=O,5.52,5.749417114257812,0.08775778462829535,1437,0
OADMET-0002820,COc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)CCC2,5.73,5.875928497314453,0.1872602746893702,166,3
OADMET-0002819,N#Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1N1CCC2(CCC2)C1,6.345000000000001,7.166504001617431,0.12792760022215532,1436,1
OADMET-0002818,CCOc1cccnc1S(=O)(=O)N1CCc2ccc(F)cc2C(C)C1,5.74,5.834070205688477,0.048183815509535495,534,4
OADMET-0002817,CCOc1cccnc1S(=O)(=O)NCc1ccc(F)cc1C(F)(F)F,5.3,5.3329168319702145,0.12554500441694535,534,4
OADMET-0002816,Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(-c2nc(C3CC3)n[nH]2)c1,5.51,4.9721142768859865,0.05167892367656579,1435,0
OADMET-0002815,Cn1cc(CCC(=O)N2CC(O)(c3ccc(F)cc3)C2)c2ccccc21,5.72,5.043040180206299,0.11963499311587018,1434,1
OADMET-0002814,Cc1cnn(C2CCCN(C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)C2)c1,5.28,5.420171546936035,0.1188290505784071,174,2
OADMET-0002813,COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(OC)c1C,5.02,5.435841274261475,0.07213626630423586,265,0
OADMET-0002812,CCN(CC)C(=O)COc1cccc(NC(=O)c2cc(OC)c(C)c(OC)c2)c1,5.0,5.098499011993408,0.08786908679539789,1433,2
OADMET-0002811,O=C(Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)cc1)c1ccc(F)cc1,5.03,4.57036190032959,0.09706547768407287,265,0
OADMET-0002810,CC(C)(C)NS(=O)(=O)C1(CNc2cc(Br)ccc2C#N)CCC1,5.949999999999999,6.3195263862609865,0.165587683484294,1432,0
OADMET-0002809,Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(c1)C(C)CCN2,5.74,5.8624297142028805,0.14531421875034095,1431,2
OADMET-0002808,CC(C)Cn1c(CC(C)(O)c2ccccc2)nnc1N1CCSCC1,5.19,5.576127052307129,0.14238078413160796,1430,3
OADMET-0002807,COc1ccc(N(C)S(=O)(=O)c2cccc3c(Cl)cc(C)nc23)cn1,5.775,5.289989948272705,0.09752970286330812,1429,1
OADMET-0002806,Cc1n[nH]c2ccc(C(=O)NCCn3c(=O)[nH]c4ccccc43)cc12,3.26,3.6078359603881838,0.12723756834803066,533,3
OADMET-0002805,O=C(Nc1ccc(F)nn1)c1cc(-c2ccccc2Cl)nc2ccccc12,4.91,5.384034442901611,0.10495645784779772,1428,3
OADMET-0002804,Cc1ccccc1C(OCC(O)CNC1CCC(=O)NC12CCC2)c1ccccc1,4.95,4.381140041351318,0.12356932743895362,1427,0
OADMET-0002803,CC1(NC(=O)Cc2c[nH]c3ncccc23)CCCc2ccccc21,5.22,3.984981346130371,0.06772358111119596,1426,1
OADMET-0002802,Cc1cc2c(cc(C(=O)N[C@H]3COC[C@H]3n3cccn3)n2CC(F)(F)F)s1,5.55,4.9912109375,0.07841950381414232,1425,1
OADMET-0002801,Cc1cc(S(=O)(=O)NCCc2cc(C(C)(C)C)on2)ccc1C#N,5.84,5.752710247039795,0.1559709634723351,1424,3
OADMET-0002800,CCc1nc(NC(=O)NC(CO)CC(O)c2ccccc2)sc1C(C)(C)C,5.09,5.816068553924561,0.2410151220709453,1423,0
OADMET-0002799,Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc2[nH]c(=O)oc2c1,3.4,3.434272050857544,0.10514857383628583,493,2
OADMET-0002798,CS(=O)(=O)Nc1ccc(CNc2nc(-c3ccccn3)nc3ccccc23)cc1,5.21,4.254014205932617,0.08434143878133178,532,4
OADMET-0002797,CC(C)(C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc12,5.84,4.972835826873779,0.12376516984870192,531,3
OADMET-0002796,COC(=O)c1c(CNC(=O)c2cnnn2-c2ccccc2)nn2c1CCCC2,5.0,5.13492374420166,0.05051011169188534,90,1
OADMET-0002795,COC(=O)c1cc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)c[nH]1,5.029999999999999,3.5772508144378663,0.11041663088309862,264,1
OADMET-0002794,CC(C)(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2nnc[nH]2)no1,5.64,4.161273860931397,0.0883278742207072,1422,1
OADMET-0002793,Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)cc2c1,4.96,5.117415904998779,0.0655672408475297,263,4
OADMET-0002792,O=C(c1cccnc1N1CCC(c2nc3ccccc3[nH]2)CC1)N1CCc2ccccc21,5.39,4.9092175483703615,0.06895758487725563,1421,3
OADMET-0002791,CC1(Cc2cccc(Br)c2)CCCN1c1ccnc(C#N)n1,6.125,5.654551792144775,0.06963204155209536,1420,4
OADMET-0002790,O=S(=O)(c1cccc(Cl)c1O)N1CC(CO)(c2ccccc2)C1,4.93,4.815778827667236,0.09247445568667079,1419,1
OADMET-0002789,COc1ccccc1CC1CCCN1C(=O)CCn1nnc2ccccc2c1=O,5.46,5.436511993408203,0.0785914548788609,147,1
OADMET-0002788,O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc(O)cc1,5.3,4.366264724731446,0.1788976808119301,1418,3
OADMET-0002787,O=C(NCc1cc2c(cc1OC(F)F)OCO2)NCC1CCCCC(F)(F)C1,5.7,4.976444149017334,0.10813654095066419,1417,4
OADMET-0002786,CCc1noc(C)c1CN1C(=O)c2ccccc2C(C)C1=O,6.14,4.513334655761719,0.1652290947701863,530,1
OADMET-0002785,FC(F)(F)c1ccc(N2CCC[C@H]2COc2ccccc2)nn1,5.41,5.281403827667236,0.14305842172838648,262,1
OADMET-0002784,CCC(COC)n1cc(-c2ccc(C(F)(F)F)cc2)nn1,5.35,4.443160820007324,0.10626347512260073,1416,0
OADMET-0002783,Cc1ccn2ncc(C(=O)N3CCCCCC3C=Cc3ccccc3)c2n1,5.69,5.361096286773682,0.1257932518886547,529,2
OADMET-0002782,COCn1nc(C)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1C,5.41,5.297184658050537,0.15757730375151413,351,3
OADMET-0002781,CC(NC(=O)NCc1cn(-c2ccccc2)nn1)c1ccc(C#N)cc1,5.5,4.786619663238525,0.12013361103978783,1415,2
OADMET-0002780,Cc1nc2c3ccccc3nc(SC(C)C(=O)N(C)C(C)C)n2n1,5.925000000000001,5.1523051261901855,0.07509324316239739,1414,1
OADMET-0002779,CC(C)(CC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1)Cc1ccc(Cl)cc1,5.3,4.822393608093262,0.04760958829750968,1413,3
OADMET-0002778,CCN(C)c1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O,5.04,5.2131750106811525,0.10182668171102315,1412,3
OADMET-0002777,COc1cccc2oc(C(=O)N3CCCC(c4ccc(F)c(O)c4)C3)cc(=O)c12,5.03,5.448502826690674,0.08578531087624416,1411,4
OADMET-0002776,O=C(Cc1nc(Cc2ccccc2)no1)N1CCCC1c1ccccc1,5.22,5.066778087615967,0.10979218835461711,103,3
OADMET-0002775,CC(C)(C(=O)NCCc1nccc(C(F)(F)F)n1)c1ccccc1,5.23,4.9443282127380375,0.10262785618831842,528,1
OADMET-0002774,CCn1ccc(NC(C)C(=O)Nc2ccccc2Cc2ccccc2)n1,5.07,5.253177356719971,0.09569089406073776,1410,0
OADMET-0002773,CC1N(C(=O)Cc2n[nH]c3c2CCCC3)c2ccccc2C1(C)C,5.91,5.917222404479981,0.14196140257388024,1409,1
OADMET-0002772,CC(NC(=O)NCC1CCCC12CC2)c1nccn1-c1ccccc1,5.215,4.997711181640625,0.11168168033894631,1408,3
OADMET-0002771,CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ncnc4[nH]ncc34)CC2)O1,1.8,2.640159749984741,0.12872083323332068,261,0
OADMET-0002769,CC(NC(=O)CNc1ccn(-c2ccccc2C(F)(F)F)n1)C1CC1,5.22,5.29882287979126,0.09100727227734963,1407,4
OADMET-0002768,O=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)C1OCCO1,5.25,5.220608806610107,0.1021740270447878,1406,0
OADMET-0002767,CC1(C)CC2CC(C)(CN2C(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)C1,6.27,5.759405612945557,0.10552267424716212,1405,2
OADMET-0002766,Cc1cccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)c1,5.904999999999999,5.4005390167236325,0.10925803846213743,1404,1
OADMET-0002765,Cc1cc(-c2noc(-c3cnc4snc(C)c4c3)n2)ccc1-n1cncn1,3.1,3.893234062194824,0.1407567171745419,1403,0
OADMET-0002764,CC(C)c1ccc(-c2noc(CNC(=O)NCc3ccco3)n2)cc1,4.79,4.667771053314209,0.0986214761689523,361,0
OADMET-0002763,COc1ncccc1NC(=O)NC(CC1CCOC1)c1ccccc1,5.31,4.956559944152832,0.06098958876608986,1402,4
OADMET-0002762,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4cccc(F)c43)c12,5.6,5.78363447189331,0.14498674554359028,1401,2
OADMET-0002761,COC(=O)C(C)(C)Cc1cn(-c2ccc(C(C)C)cc2)nn1,5.41,4.844026565551758,0.06146405832950992,1400,2
OADMET-0002760,C=CCC1(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2CO)CCCCC1,6.32,5.428970718383789,0.1276304445317716,1399,0
OADMET-0002759,COC(=O)c1cc(-c2ccc(C)cc2)n(-c2nccnc2C)n1,4.74,4.139284133911133,0.07840664267181945,1398,4
OADMET-0002758,CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(-c2cc[nH]n2)s1,5.795,4.764816665649414,0.1582320868951117,1397,3
OADMET-0002757,O=S(=O)(Nc1ccnn1C1CCC1)c1ccc2c(c1)CCCC2,4.77,5.454303455352783,0.15196855013514907,257,2
OADMET-0002756,Cc1cccn2cc(-c3cccc(NC(=O)Nc4ccn(CCCC(=O)N(C)C)n4)c3)nc12,4.87,4.806271553039551,0.09597901332945157,1396,2
OADMET-0002755,CN(C(=O)N1CCCNC(=O)C1Cc1ccccc1)c1ccc(F)cc1,5.38,4.606544399261475,0.15734467443813424,101,1
OADMET-0002754,O=C1NC(CC2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12,5.6,5.482219791412353,0.06956335687530367,1395,0
OADMET-0002753,CCc1cc(N2CCC(Nc3ncnc4c(C)cccc34)CC2)ncn1,6.15,3.563564348220825,0.09830617455615571,527,0
OADMET-0002752,CC(C)C(CNC(=O)Cn1nnn(C2CCC2)c1=O)c1ccccc1,4.95,5.111138916015625,0.06993927942309656,260,4
OADMET-0002751,CNC(=O)C1Cc2ccccc2N1C(=O)Cc1c[nH]c2cccc(C)c12,5.13,4.549063110351563,0.11101623625583831,259,3
OADMET-0002750,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)C2)c1,3.43,4.18992862701416,0.16507423947279515,258,3
OADMET-0002749,Cc1nccc(N2CCN(C(=O)c3cnn(-c4ccccc4F)c3C)CC2)n1,1.9,3.7884520053863526,0.14237838421147198,24,3
OADMET-0002748,O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cn2ccccc2n1,1.79,2.5462043285369873,0.0933986926611026,1394,4
OADMET-0002747,Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1,5.87,4.318522548675537,0.07956611579968437,526,4
OADMET-0002746,COc1ccc2ncc(C(=O)NCc3ccnc(OCC(F)(F)F)c3)n2n1,4.78,4.158965253829956,0.1605421164969062,1393,3
OADMET-0002745,c1csc(CN2CCN(c3ncnc4[nH]ccc34)CC2)c1,1.76,1.7305459022521972,0.04393631573235894,1392,1
OADMET-0002744,Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C2CCCCC2)n1,5.34,5.2814380645751955,0.12454953249577143,257,2
OADMET-0002743,Cc1ccc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c2c1,1.83,3.493832731246948,0.03248462897455803,513,4
OADMET-0002742,COC1CC(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C12CCC2,1.82,4.010182857513428,0.19954749695103455,145,3
OADMET-0002740,Cc1ccc(C(=O)NCc2nn(C)c3ccccc23)c(Cl)c1,5.67,4.6776715278625485,0.10918110324399827,525,2
OADMET-0002739,COCC1(C2CCC2)CN(C(=O)NCCc2cc(C)c(O)c(C)c2)C1,5.33,4.678388214111328,0.09028824311170246,524,0
OADMET-0002738,CCc1cccc(S(=O)(=O)NCCc2nc(C)cc(C)n2)c1,5.34,5.104025173187256,0.11103033918428186,1391,4
OADMET-0002736,O=C(NC1CCOc2ccc(F)cc21)c1ccc(N2CCCC2)nn1,4.91,4.859070587158203,0.11310083212743288,98,1
OADMET-0002735,Cc1ccccc1C1CCCN1CC(=O)Nc1ccccc1C(N)=O,5.455,5.361126518249511,0.11280715186213995,523,1
OADMET-0002734,CCn1c(NC(=O)c2cc(C)nn2C2CCOCC2)nc2cc(C#N)ccc21,1.81,4.529235076904297,0.15109261311102276,1390,4
OADMET-0002733,COc1ccc(C(=O)N(C)C(C)Cc2ccccc2C)cc1S(=O)(=O)N1CCOCC1,5.76,5.39315767288208,0.14263692906980602,131,2
OADMET-0002732,CCn1cc(S(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)nc1C,5.66,4.71755199432373,0.11507915399530705,1389,0
OADMET-0002731,O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCCCC1c1ncon1,5.61,5.188857555389404,0.09937268199098623,522,0
OADMET-0002730,COC1(C)CCCN(C(=O)NCc2cc(Cl)cc3c2OCC3)CC1,5.58,5.340008544921875,0.0793198111679383,1388,4
OADMET-0002729,Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cc2c1C,5.175,5.0115643501281735,0.1781080006620907,196,3
OADMET-0002728,CC1CCc2ccccc2N1C(=O)COc1ccc2c(c1)NC(=O)CC2,5.65,5.54841423034668,0.09629948587964199,137,4
OADMET-0002727,CC(C)CCn1ccc(NC(=O)NCC2CCC3(CCCC3)O2)n1,5.71,5.133786296844482,0.12352165358220135,521,4
OADMET-0002726,Cc1nsc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1C#N,5.01,4.9289366722106935,0.17791333981793517,520,3
OADMET-0002725,Cn1cccc1C1CCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1,5.35,4.879393768310547,0.09550790697548642,40,1
OADMET-0002724,N#CC1(CCCN2CCN(c3ccnc4ccccc34)CC2)CCOCC1,2.6,2.967410373687744,0.10142717520221656,1387,3
OADMET-0002723,Cc1nnnn1-c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1,2.89,3.1393495082855223,0.18096375697768385,110,4
OADMET-0002722,COc1ccccc1NCC(=O)N1CCN(C)c2ccccc2C1,5.47,5.1745037078857425,0.03443081519972965,256,0
OADMET-0002721,Cc1nc(CNC(=O)NC2CCCCc3cc(Br)ccc32)no1,4.97,4.7934889793396,0.09579447668526668,319,4
OADMET-0002720,O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)N1CCc2ccc(F)cc2C1,5.46,5.129157543182373,0.11135513769920952,519,2
OADMET-0002719,CN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1ccc(N2CCOCC2)nc1,2.53,2.8370216846466065,0.15527394527443922,1386,2
OADMET-0002718,Cc1ccc(S(=O)(=O)CC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1C,6.115,5.184698581695557,0.14863019095974742,518,3
OADMET-0002717,CC(C1CC1)n1cc(NC(=O)NC2CCCOc3cc(F)ccc32)cn1,5.54,5.626959991455078,0.08367051898213457,60,4
OADMET-0002716,COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NS(=O)(=O)c2cccs2)cc1,4.79,4.537737274169922,0.0518258309645191,517,4
OADMET-0002715,CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccncc1,5.83,4.904973888397217,0.12725434628517007,1385,1
OADMET-0002714,CCCOc1cccc(CCNC(=O)N2C3CCC2CC2(C3)CC2(F)F)c1,5.82,4.954436874389648,0.1495820133693364,1384,0
OADMET-0002713,Cc1ccc(N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c(F)c1,5.44,4.594625854492188,0.08887361313371192,162,4
OADMET-0002712,CC(F)(F)c1ccccc1NC(=O)NC(C)(C)c1nc2ccccc2s1,5.29,5.4078898429870605,0.1500898625233074,516,1
OADMET-0002710,NC(=O)CC1(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c23)CCOCC1,2.78,3.351812314987183,0.15491486108245822,1383,2
OADMET-0002709,CC(C)(C)n1nnnc1CNC1(c2ccc(Cl)cc2)CCCCC1,5.49,5.901212978363037,0.11262140651323548,1382,2
OADMET-0002708,Cc1ccc(CNC(=O)N2CCN(c3ncnc4ccsc34)CC2)s1,1.84,3.4218589305877685,0.08868906958419095,255,3
OADMET-0002707,C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(F)cc1N1CCOCC1,5.56,4.862843990325928,0.12496927207479602,254,1
OADMET-0002706,CCC(NC(=O)Cn1ncc2ccccc2c1=O)c1cc(F)ccc1F,4.94,5.0972771644592285,0.08372064998457089,1381,4
OADMET-0002705,CN(C)Cc1nc2ccc(NC(=O)c3ccc(C4CC4(F)F)cc3)cc2[nH]1,3.56,4.214892101287842,0.08355372243876504,1380,2
OADMET-0002704,COc1ccc2[nH]c(C(=O)NC[C@@H]3C[C@H](OC)CN3c3ccncn3)cc2c1,5.6,4.006701469421387,0.08018920580088297,1379,4
OADMET-0002703,O=C(N[C@H](CO)Cc1ccccc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1,5.16,5.307736206054687,0.1515007992883648,1378,1
OADMET-0002702,Cc1[nH]c(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1,5.24,4.908255290985108,0.13381242357762932,515,1
OADMET-0002701,CC(C)(C)[C@H](NC(=O)c1cc(N2CCCCC2)ccn1)C(N)=O,5.365,4.954997444152832,0.10686828354610917,1377,4
OADMET-0002700,CC(Cc1nc(-c2cccc(S(C)(=O)=O)c2)nn1C12CC(C1)C2)c1ccccc1,5.64,5.526861095428467,0.13457565192490553,1376,3
OADMET-0002699,Cn1c(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cc2ccsc21,5.22,3.699465274810791,0.09278607394659119,1375,3
OADMET-0002698,C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(C2CCc3ccc(Cl)cc32)nn1,5.7,5.476117706298828,0.07889303904291223,1374,1
OADMET-0002697,Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)CCN2CCCC2=O)c1,5.36,5.3539196968078615,0.10253741173101939,1373,0
OADMET-0002696,Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(N2C(=O)NCC2C)c1,5.85,4.724836349487305,0.11893361269880598,1372,4
OADMET-0002695,Cn1cc(Cl)c(C(=O)Nc2nc(-c3ccccn3)nc3sccc23)n1,2.69,3.7470139026641847,0.11077275202615326,514,0
OADMET-0002694,Cc1ccc(C(=O)N2CCC(Nc3ncnc4[nH]c5ccccc5c34)CC2)cc1,1.91,3.6784829616546633,0.05585624549850204,513,4
OADMET-0002693,COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCCC2)c2ccccn2)cc1,5.06,4.991547584533691,0.15482897065534412,1371,2
OADMET-0002692,CCC(NC(=O)CC(C)(O)c1ccccc1)c1cccc2cc[nH]c12,4.67,5.130634117126465,0.12237304965762029,1370,1
OADMET-0002691,CCCN(Cc1cnn(C)c1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1,5.35,4.746353244781494,0.09951054473730439,1369,0
OADMET-0002690,CCc1ccc(-n2nc(C3CC3)nc2C2CCC(C(=O)N(C)C)CC2)cc1,5.27,4.723467922210693,0.19371772358127534,1368,3
OADMET-0002689,Cc1n[nH]c(C)c1CNC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1,4.07,3.651029109954834,0.12590790916432174,1367,2
OADMET-0002688,Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cccc(Cl)c1O,4.65,5.244851303100586,0.18038113590291546,512,2
OADMET-0002687,Cc1ccccc1-n1ncc(C(=O)NS(=O)(=O)c2ccccc2)c1C(F)(F)F,5.12,4.649334239959717,0.07345350397347741,1366,3
OADMET-0002686,O=C(NC1(c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)nc1,5.44,4.739833641052246,0.07016543412019961,253,4
OADMET-0002685,O=C1C2CCCCN2S(=O)(=O)N1CCC1CCc2ccccc21,5.98,5.394693851470947,0.0721963217816488,1365,4
OADMET-0002684,OC1(c2cn(CCOc3ccc(Cl)cc3)nn2)CCOCC1,3.2,3.650464153289795,0.0855981818259517,1364,4
OADMET-0002683,CCc1ccc(NC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O,6.07,5.022459602355957,0.1373511521770719,1363,3
OADMET-0002682,CCn1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cn1,2.42,4.354340648651123,0.18309845598605096,511,3
OADMET-0002681,COc1cccc(C(O)CNC(=O)c2cnn(C)c2Cc2ccccc2)c1,5.33,4.557359504699707,0.1251466122891651,30,1
OADMET-0002680,CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cc(F)ccc1N1CCC(O)CC1,5.4,4.935220336914062,0.10309751628214882,30,1
OADMET-0002679,Cc1nscc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2,5.27,5.744832611083984,0.11791173943731133,1362,1
OADMET-0002678,Cc1cc(-n2c(C)cc(C(=O)NC3(Cc4ccc(Cl)cc4)CCOC3)c2C)no1,5.53,4.935637378692627,0.10147419530440283,1361,0
OADMET-0002677,O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCc2sccc2C1,5.28,4.175607109069825,0.06602600612063318,1360,2
OADMET-0002676,CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1,5.57,4.629586505889892,0.09968259238242837,30,1
OADMET-0002675,Cc1nn(-c2ccccc2)cc1NC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1,5.8100000000000005,4.510449600219727,0.14518952611580835,1359,0
OADMET-0002674,Cc1nc(F)ccc1NC(=O)NC1CCCc2sc(-c3ccc(F)cc3)nc21,5.28,5.1425268173217775,0.15069912225349003,1358,2
OADMET-0002673,Cc1cc(CC(C)NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)n(-c2ccccc2)n1,4.81,5.260586929321289,0.11318110533158114,1357,1
OADMET-0002672,CNS(=O)(=O)c1csc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1,1.72,3.223195934295654,0.11544933543445621,1356,4
OADMET-0002671,Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ncnn1-c1ccccc1,5.3,5.122677230834961,0.04680094660553181,61,0
OADMET-0002670,O=C(Nc1cnn(C2CCCCC2)c1)N1CCCN(C(=O)c2ccc(F)cc2)CC1,5.18,4.57754077911377,0.07122873066512633,332,2
OADMET-0002669,CC1(C)Oc2cc(-c3ccc4c(c3)CCOC4)ccc2NC1=O,3.36,4.32242259979248,0.17074644430513342,1355,3
OADMET-0002668,FC(F)(F)C1(c2nc(-c3cc(C4CC4)[nH]n3)no2)CC2(CCC2)C1,5.03,5.11520471572876,0.18159378838208573,1354,2
OADMET-0002667,O=C(CCNC(=O)c1c[nH]c2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1,1.8,3.726373291015625,0.1058400557479561,1353,2
OADMET-0002666,Cc1cc(NCCc2ccccc2S(N)(=O)=O)ncc1S(=O)(=O)N1CC2CCC2(C)C1,6.325,5.450466728210449,0.13691388833326784,1352,4
OADMET-0002665,CC1(C)CCC(CCNC(=O)c2ccc3cccnn23)OC1,5.42,4.946980285644531,0.04244847454138774,1351,4
OADMET-0002664,O=S(=O)(CCNCc1cc2ccccc2nc1N1CCCCC1)c1ccccc1,5.08,5.473598766326904,0.1323084678410883,1350,3
OADMET-0002663,COc1ccc(N(CC2CC2)C(=O)CC2CC(C)(C)CO2)cc1,5.08,5.310262203216553,0.08121802723301422,1349,0
OADMET-0002662,COc1cc(OC)nc(N2CCCN(C(=O)c3ccsc3)CC2)n1,5.87,5.163763236999512,0.03236109186996948,92,0
OADMET-0002661,Cc1ccc(C)c(-n2ncc(NC(C)c3csc(C)n3)c2C)c1,5.28,5.39083948135376,0.10848078451898392,1348,1
OADMET-0002660,Oc1cc2c(NCCc3ccc4[nH]ccc4c3)ncnc2cc1F,1.8,2.6729782581329347,0.10325326335848098,1347,4
OADMET-0002659,COC(=O)c1c(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)nn2c1CCCC2,5.87,5.736857509613037,0.08113814383871414,90,1
OADMET-0002658,CCCOc1cccc(C(=O)NC(c2ccccn2)c2ccccc2OC)c1,5.41,5.329251670837403,0.1282334758523711,1346,2
OADMET-0002657,COC(=O)c1c(COc2ccc(C3CC3)cc2Cl)nn2c1CCCC2,5.76,5.938057327270508,0.11307891832936619,90,1
OADMET-0002656,COc1cc(Br)ccc1NC(=O)C(C)c1cn(C)c2ccccc12,5.65,5.247672271728516,0.08888569640369165,510,3
OADMET-0002655,O=C(Nc1cncc2ccc(F)cc12)C1CCOc2ccc(Cl)cc21,5.13,4.608358383178711,0.02489816812924613,1345,0
OADMET-0002654,CCCC(C)c1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1,4.73,5.232650184631348,0.10788597353620964,252,2
OADMET-0002653,Cn1ncc(C(=O)NCC2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c1Cc1ccccc1,5.44,4.878343200683593,0.09482767820439438,30,1
OADMET-0002652,CCCOc1ccc2[nH]cc(CCNC(=O)c3cncc4[nH]ccc34)c2c1,1.71,4.062175846099853,0.14666462251148146,14,1
OADMET-0002651,CC1CC1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1,5.57,5.760042381286621,0.21766903831204476,509,2
OADMET-0002650,CCc1c[nH]c2ncnc(N3CCCC(n4cc(C)cn4)C3)c12,1.75,3.062664842605591,0.19466528936555672,89,2
OADMET-0002649,O=C(COC1CC1)Nc1ccc(-n2cnc3ccccc32)nc1,1.79,3.96144118309021,0.19609906658546958,508,1
OADMET-0002648,COC(C)c1cccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)c1,4.69,3.80394606590271,0.12101065140494778,1344,1
OADMET-0002647,CN1C(=O)CCCC1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1,1.73,2.7371765613555907,0.08442758331657199,1343,0
OADMET-0002646,O=S(=O)(Nc1ccc(CC(F)(F)F)cc1)c1ccc(Cl)s1,4.78,5.282980346679688,0.1851983618132695,1342,4
OADMET-0002645,CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2(c3ccccn3)CCC2)c1,5.67,5.689179801940918,0.10972974826844746,507,1
OADMET-0002644,CCOCc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1,2.0,4.389028453826905,0.05239396282262373,1341,3
OADMET-0002643,COc1ccc(Sc2nsc(NC(=O)N[C@H](CO)C(C)(C)C)n2)cc1,5.98,5.380390548706055,0.16118116848382613,1340,2
OADMET-0002642,CCN(C1CCCCC1)S(=O)(=O)c1c(C2OCCO2)cnn1C,5.48,4.617794513702393,0.0916034566359417,1339,4
OADMET-0002641,O=C1COc2ncnc(NCC34CCCCC3C4(F)F)c2N1,2.06,3.147941160202026,0.19365600527846802,1338,3
OADMET-0002640,COc1ccc(C(NC(=O)CNC(C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1,5.12,5.114900207519531,0.08607221381447688,149,1
OADMET-0002639,Cc1nc2ccccn2c1CSc1nnc2n(C)c3ccccc3n12,3.52,4.712461757659912,0.08739762835825023,1337,1
OADMET-0002638,CCn1ncc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1C(F)(F)F,5.26,4.646761417388916,0.12018442993676352,1336,0
OADMET-0002637,CC(Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(F)cc1,5.31,5.35074405670166,0.10903283735818492,1335,1
OADMET-0002636,O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc2ccccc2nc1N1CCCC1,5.19,5.008604049682617,0.07472193557072597,506,0
OADMET-0002635,O=C(c1cccc(Nc2ccccc2)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,5.45,3.754628133773804,0.07893351621671589,1334,1
OADMET-0002634,CC(NC(=O)c1c2ccccc2nn1C)c1cccc(C(F)(F)F)c1,4.7,5.5830183029174805,0.1416299675439159,1333,2
OADMET-0002633,CC(C)(C)n1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1,6.045,5.51115837097168,0.10434273623199206,1332,1
OADMET-0002632,Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Br,5.79,5.291629123687744,0.04041096608769468,1331,0
OADMET-0002631,O=C(Nc1cccc(-c2ccccc2)c1)N1CCCC(N2CCCC2=O)CC1,5.77,4.753531742095947,0.07796756109079662,1330,4
OADMET-0002630,O=C(C1CC(c2ccccn2)=NO1)N1CCCC(Nc2cccc(Br)c2)C1,4.705,4.263798999786377,0.23201586602229465,1329,3
OADMET-0002629,Cc1n[nH]c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1-c1ccc2c(c1)OCCO2,4.95,3.962150716781616,0.12524852245751555,1328,2
OADMET-0002628,CC(Cc1cccnc1)NC(=O)c1cc(C(C)(C)C)n2ncnc2n1,6.11,4.785997104644776,0.14082940571436758,1327,0
OADMET-0002627,CN(CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,5.29,5.010538387298584,0.13859613558860298,1326,3
OADMET-0002626,CCC1OCCCC1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1,5.19,5.154533004760742,0.10674605657514524,1325,4
OADMET-0002625,COc1ccccc1CC1CCCN1C(=O)Cc1cnn2ccccc12,5.3,5.546118259429932,0.12427919691157784,64,1
OADMET-0002624,NC(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)nn1-c1ccccc1,1.74,5.356923580169678,0.10603757224140788,1324,2
OADMET-0002623,CCc1ccc(C(C)NC(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)cc1,5.28,4.499401092529297,0.07907161038240079,1323,1
OADMET-0002622,COc1ccc2[nH]cc(C3CCN(c4ncnc5[nH]ncc45)CC3)c2c1,5.52,2.5516848087310793,0.07528630819758371,261,0
OADMET-0002621,CSC(C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1)c1ccccc1,5.15,5.044566535949707,0.15868778315990864,251,2
OADMET-0002620,CC12CC(CN1C(=O)NCc1ccccc1-c1ccc(Cn3cccn3)cc1)C2,5.42,4.963208866119385,0.1297241944942524,1322,0
OADMET-0002619,COCC1(C(=O)Nc2cnc3c(F)c(F)ccc3c2)CCCCC1,5.91,5.524263095855713,0.21695194352730837,1321,3
OADMET-0002618,CC(C)c1nc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c[nH]1,4.87,4.8280590057373045,0.10281629524416082,1320,1
OADMET-0002617,O=C(c1ccn(-c2cc(F)cc(F)c2)n1)N1CCCc2ccccc21,5.67,5.524062538146973,0.09050941670186886,1319,4
OADMET-0002616,COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(O)c2ccccc2)ccc1C,5.88,5.240854072570801,0.06794040841774676,1318,4
OADMET-0002615,CC(C)C(NC(=O)C1CC12CCc1ccccc12)c1nc(C2CC2)no1,5.33,5.721133232116699,0.07268841669428765,505,4
OADMET-0002614,Nc1nncc(-c2cccc(C(=O)N3CC4(CCC4)CC3C(F)(F)F)c2)n1,5.5,4.992234325408935,0.08648910446842437,1317,2
OADMET-0002613,CC(C)(C)Cc1cc(NC(=O)C2CCCc3sc(N)nc32)n[nH]1,5.29,4.886925983428955,0.10739442977615513,1316,3
OADMET-0002612,CC(C)c1occc1C(=O)N(C)C1CCCN(c2ccccc2)C1=O,4.85,4.824009990692138,0.10157823895334758,1315,1
OADMET-0002611,CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1,5.27,4.572018623352051,0.1976739361299987,250,0
OADMET-0002610,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1,4.6850000000000005,5.275420188903809,0.15104514752252435,1314,2
OADMET-0002609,Cc1cc(C)nc(-c2noc(C(CC(C)C)N3CCCCC3=O)n2)c1,4.67,5.07694091796875,0.04573765964776993,1313,1
OADMET-0002608,CCN(CC(=O)OC)C(=O)c1ccc(-c2cccc(C)c2)n1C,4.76,4.463383483886719,0.10857543355975706,1312,0
OADMET-0002607,CC(Cc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1)C(=O)O,5.08,2.292418336868286,0.11713804213386814,249,1
OADMET-0002606,CCOC(C)c1nc(C(NC(=O)OC(C)(C)C)c2ccccc2)no1,5.33,5.359074211120605,0.09081612955128804,1311,4
OADMET-0002605,Cc1cccc(C(NC(=O)N2CCC(Cn3cccn3)CC2)C(C)(C)C)c1,5.6,5.515280151367188,0.22199324600502454,1310,3
OADMET-0002604,Cc1conc1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C,5.81,5.660245132446289,0.11108215606550204,1309,2
OADMET-0002603,CC1CCN(C(=O)C2CC23CCc2ccccc23)c2c(O)cccc21,6.855,5.789429950714111,0.11216108712714719,1308,1
OADMET-0002602,CC(C)C(C)(NCc1cn(C(C)(C)C)nn1)c1ccc(Br)cc1,5.62,5.301257991790772,0.12898139831518926,1307,0
OADMET-0002601,Cc1ccc(-c2nc(C)c(C(=O)N3C4C=CCC3CC4)s2)o1,5.915,5.8462327003479,0.10144998025624226,1306,4
OADMET-0002600,CC(NC(=O)N1CCCC1CCO)c1ccccc1Oc1ccccc1,5.28,5.087027359008789,0.14089074969350124,103,3
OADMET-0002599,CCCC1(COC)CCCN1C(=O)N[C@@H](C)c1cccc(O)c1,5.63,5.795297622680664,0.15277544579727212,248,2
OADMET-0002598,O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1cnn(-c2ccccc2F)c1,5.4,4.761933708190918,0.10380503848609607,1305,3
OADMET-0002597,CC(C)(C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1)c1ccc(F)cc1,5.09,4.8495080947875975,0.1278941722274223,1304,1
OADMET-0002596,O=C(C1CC1)N1CCCN(c2cccc(C(F)(F)F)n2)CC1,5.47,5.65680456161499,0.14867643431341962,62,4
OADMET-0002595,O=C(NCc1nnnn1C1CC1)c1ccc(-n2cnnn2)cc1Cl,2.69,3.70227313041687,0.15504213804465733,1303,4
OADMET-0002594,CCS(=O)(=O)c1ccccc1CC(=O)N(C)c1ccc(C)nn1,4.175,4.591002178192139,0.07501982983587009,1302,0
OADMET-0002593,O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1,4.609999999999999,4.39232234954834,0.16061647507585874,247,3
OADMET-0002592,CC(C)C(=O)N1CCCN(c2ccnc(Cc3ccc(F)cc3)n2)CC1,5.68,5.1592944145202635,0.07604874004027608,1301,4
OADMET-0002591,O=C(c1cnc2ccccn12)N1CCN(C2CC2)c2ccccc21,5.23,4.944205570220947,0.18245917562785455,20,2
OADMET-0002590,COc1cccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)c1,5.12,5.078627872467041,0.13729765712557568,63,3
OADMET-0002589,COc1ccc2c(c1)[C@H](n1cc(-c3ccccc3OC)nn1)CCO2,5.2,4.873948192596435,0.06765166203719876,59,0
OADMET-0002588,Cc1cc(F)ccc1[C@H](C)n1cc(C(C)(O)Cc2ccccc2)nn1,5.41,5.285935306549073,0.11850148708896399,504,3
OADMET-0002587,CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3OC(F)F)CC2)cc1,5.02,5.011789703369141,0.10974401657456138,1300,3
OADMET-0002586,CC(C)CC1(CO)CCCN1C(=O)NCC(C)(C)c1cccs1,5.62,6.168663024902344,0.13333772270311997,503,2
OADMET-0002585,CC(C)(C)c1ccccc1C(=O)N1CCC(Cn2ccnn2)CC1,5.35,4.697421836853027,0.14081096592544076,9,2
OADMET-0002584,CCOC(=O)C(Cc1ccccc1)N(C(=O)c1cncc(Cl)c1)C1CC1,5.62,5.10485143661499,0.1830278870154952,1299,2
OADMET-0002583,Cn1ncc(C2CC2)c1C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1,5.91,4.742481231689453,0.13301894763931144,1298,1
OADMET-0002582,OC1(CNc2ncnc3ccc(F)cc23)CCCCCC1,1.75,3.0718079090118406,0.17905041917554188,502,1
OADMET-0002581,COc1ccc2c(c1)CCN(C(=O)C(OC)c1ccccc1)CC2,5.29,5.0754741668701175,0.05622457541471358,501,0
OADMET-0002580,O=S(=O)(c1ccnn1CC1CCC1)N1CCc2ccncc21,5.6,4.905465984344483,0.05026273633912058,1297,0
OADMET-0002579,COc1ccccc1-c1cn(Cc2coc(C3CC3)n2)nn1,5.15,4.871615314483643,0.06068877328605939,59,0
OADMET-0002578,CCOc1cncc(NS(=O)(=O)c2cccc(N(C)C)c2)n1,4.65,5.104989242553711,0.16317092927269325,1296,4
OADMET-0002577,N#Cc1c(C2CC2)n[nH]c1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,5.03,5.2084800720214846,0.06925679939717254,1295,3
OADMET-0002576,CCn1c(SCC(=O)N(C)C2CCCCC2)nc2ccccc2c1=O,5.38,5.13717622756958,0.06738245332544857,500,0
OADMET-0002575,CC(NC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc2c(c1)CC(=O)N2,6.16,4.675461196899414,0.10682006863974304,1294,2
OADMET-0002574,Cc1nocc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1,4.79,5.622243118286133,0.057940496326344876,1293,1
OADMET-0002573,CCC(NC(=O)c1cc(C)n(CC)c1C)C(O)C(F)(F)F,5.41,5.233904457092285,0.1212753326847796,1292,0
OADMET-0002572,COCC(NS(=O)(=O)c1cc(C)ccc1Cl)c1cccc(OC)c1,5.58,5.670907878875733,0.09383177878751801,1291,4
OADMET-0002571,Cn1cnnc1C1CCCN1c1cccc(-n2cnc3ccccc32)n1,6.0600000000000005,3.9641857147216797,0.09687489829923981,499,4
OADMET-0002570,CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1,5.14,4.848527336120606,0.06753194435755734,1290,2
OADMET-0002569,Cc1cc(C(=O)N(C)C2(C(F)(F)F)CC2)nn1C(C)(C)C,5.58,5.393446731567383,0.18521334028764674,498,3
OADMET-0002568,C=C1CCC(CNc2nc(C)ccc2S(=O)(=O)N2C3CCCC2CC(=O)NC3)CC1,5.53,4.766845607757569,0.13021657787699215,1289,0
OADMET-0002567,CC1(C)[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)[C@H]1c1ccccc1,5.93,5.626201248168945,0.14115911602289766,1288,0
OADMET-0002566,COc1ccc(C(C)NC(=O)N2CCCCCC2c2ccncc2)cc1F,5.61,4.933691120147705,0.08775849533574205,497,1
OADMET-0002565,C[C@@H](c1cccc(F)c1)n1cc(CC2(C#N)CCCCC2)nn1,5.55,5.878020763397217,0.22733082919444686,496,3
OADMET-0002564,CCOC(Cn1cc(-c2ccc(C)c(Cl)c2)nn1)OCC,5.52,5.153895092010498,0.09270479197335552,1287,1
OADMET-0002563,Cc1nc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc12,5.36,4.807704639434815,0.09417920811809134,1286,0
OADMET-0002562,Cc1cccc(C(C)NC(=O)c2cc(-c3ccccc3O)[nH]n2)c1C,4.94,5.49788236618042,0.13152878277191865,1285,4
OADMET-0002561,Cn1nc(-c2cccnc2)cc1C(=O)N1CCC2(CC1)OCCc1ccccc12,5.32,4.588682079315186,0.0655602242105772,495,0
OADMET-0002560,Cc1cccc(Oc2ccccc2C(=O)N2CCCC(C(O)C(F)(F)F)C2)c1,5.4,5.457342910766601,0.1778893302022331,1284,3
OADMET-0002559,COC(C)(C(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1ccccc1,6.140000000000001,5.701882457733154,0.09762097852706485,494,4
OADMET-0002558,Cn1nc(CNC(=O)[C@H]2COCC[C@H]2c2ccccc2)cc1C1CC1,4.57,4.632542419433594,0.08428204598639473,272,0
OADMET-0002557,CCCCCC1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O,5.13,5.120137310028076,0.09558905868542883,1283,2
OADMET-0002556,CCOc1cc(NC(=O)c2cc(C)cc3ccncc23)cc(OCC)c1,5.6,5.0536243438720705,0.12777556830092887,1282,1
OADMET-0002555,Nc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cn1,5.03,3.3344964504241945,0.12316288424494358,286,2
OADMET-0002554,O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC(c2cn[nH]c2)CC1,5.08,4.478761005401611,0.1985776845275138,1281,0
OADMET-0002553,NC(=O)c1ccc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)s1,5.89,5.587146186828614,0.06460249308714013,1280,4
OADMET-0002552,O=C(Cn1cc(-c2cncc(F)c2)nn1)N1CC2CCCCC21c1ccccc1,5.52,4.901220607757568,0.07143870193777975,1279,3
OADMET-0002551,COc1ccc2[nH]nc(C(=O)NC(C)c3ccccc3N(C)C)c2c1,5.44,5.180558967590332,0.06446686125303305,1278,2
OADMET-0002550,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2,5.11,5.811902332305908,0.14107053668597466,246,2
OADMET-0002549,Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@H]1C[C@@]1(C)OC(C)C,5.63,4.754776382446289,0.12609990160731946,493,2
OADMET-0002547,Cc1ccc(NC(=O)c2nnc(C3CC3)o2)cc1OCCC(C)C,5.16,4.8317607879638675,0.09582972919361205,1277,1
OADMET-0002546,COc1cccc2[nH]cc(S(=O)(=O)NC(C)CCSC)c12,5.36,5.15769510269165,0.0627297645269601,1276,4
OADMET-0002545,Cc1noc(C(C)N2CC3CCC(C2)N3C(=O)C2CC(C)(C)C2)n1,4.96,4.670162773132324,0.12858829956149398,1275,2
OADMET-0002544,CN1C(=O)CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)C1c1cnn(C)c1,3.45,3.4448485374450684,0.15737775500136106,1274,3
OADMET-0002543,COc1ccc(S(=O)(=O)N2c3ncnn3CCC2C)cc1F,5.14,4.711943435668945,0.175386138971802,1273,2
OADMET-0002542,Cc1ccn2c(=O)c(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cnc2c1,5.54,5.106530952453613,0.09843660013926515,245,3
OADMET-0002541,CCC(C)Oc1cc(C(=O)N2CCC(C)c3cccc(O)c32)ccn1,6.195,5.931560707092285,0.10457351596990405,492,4
OADMET-0002539,O=S(=O)(Nc1cccc2[nH]ccc12)c1sccc1C1CC1,6.050000000000001,5.202206230163574,0.13748187425167807,491,3
OADMET-0002538,COc1ccccc1-c1cn(Cc2nc(C(C)(C)C)cs2)nn1,5.835,5.403014278411865,0.05197113382627233,59,0
OADMET-0002537,O=S1(=O)CCC2(CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)C1,5.45,4.636014175415039,0.09822022956541168,136,3
OADMET-0002338,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,6.12,4.617558002471924,0.2888621794420745,244,1
OADMET-0002337,CCOP(=O)(OCC)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC,6.87,6.377682495117187,0.261373615760485,1272,1
OADMET-0002333,Fc1ccc(N2CCNCC2)cc1,2.17,2.456860399246216,0.05914262495339629,227,1
OADMET-0002332,c1ccc(C2CCNC2)cc1,3.95,2.6910377979278564,0.11564169571191296,490,3
OADMET-0002331,Cn1c(C(=O)O)cc2cc(Cl)ccc21,3.77,2.815716791152954,0.04866904727975302,447,4
OADMET-0002330,Cc1ccc(-c2nc3ccccc3s2)cc1N,3.9,4.094631671905518,0.04218051030704208,243,4
OADMET-0002329,O=C(O)CSc1ccccc1,1.87,2.7479644298553465,0.057304146503761394,58,2
OADMET-0002328,Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1,3.31,3.178661346435547,0.13929585477417145,11,3
OADMET-0002327,COc1ccc(-c2noc(CCCC(=O)O)n2)cc1,2.65,2.790723991394043,0.09604813870518053,242,0
OADMET-0002326,O=C(O)c1cc(-c2ccc(O)cc2)on1,1.86,2.664403486251831,0.07222370901804863,17,0
OADMET-0002325,COc1ccc(OC)c(N)c1,2.96,2.960823392868042,0.12400854836741788,83,4
OADMET-0002324,Nc1nc2ccc(Cl)cc2s1,3.58,3.3961703777313232,0.24206428942957758,34,3
OADMET-0002323,O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1,1.96,2.6131189823150636,0.14187766077049357,135,2
OADMET-0002322,Nc1nccs1,2.83,2.554527425765991,0.12238306819535123,1271,0
OADMET-0002321,Cc1ccc(N2CC(C(=O)O)CC2=O)cc1C,2.54,2.8212038040161134,0.08270958108142601,128,0
OADMET-0002320,O=C(O)Cn1ccc([N+](=O)[O-])n1,1.88,1.9881489515304565,0.05771621994971927,468,4
OADMET-0002319,Cc1ccc(SC(C)C(=O)O)cc1,3.0,3.094160318374634,0.10197208684195597,225,3
OADMET-0002318,COc1ccc2cc(C(=O)O)[nH]c2c1,2.88,2.4107641220092773,0.10684609144332942,0,0
OADMET-0002317,O=C(O)c1ccc(-n2cnnn2)cc1,1.92,2.652653169631958,0.1233230167246791,57,0
OADMET-0002316,Cc1csc2ncc(C(=O)O)c(=O)n12,2.11,1.9299952030181884,0.05744057270143133,238,2
OADMET-0002315,NCc1ccc2c(c1)OCO2,2.64,2.796799659729004,0.07550625500961482,55,4
OADMET-0002314,Nc1ccc2c(c1)OCO2,2.63,3.6832221508026124,0.2251191818366569,55,4
OADMET-0002313,COc1ccccc1CN,2.02,2.061479377746582,0.04155167201013062,7,3
OADMET-0002312,COc1ccc(CCN)cc1OC,2.47,2.321930694580078,0.09369705436773099,82,4
OADMET-0002311,Nc1ccc(N2CCCCC2)cc1,2.95,3.3959952354431153,0.16467441620879097,241,4
OADMET-0002310,CN(C)c1cccc(C(=O)O)c1,1.97,2.6433922290802,0.1534060090489241,5,2
OADMET-0002309,COc1ccc(CCC(=O)O)cc1OC,2.87,2.3124438762664794,0.06066793879266284,18,4
OADMET-0002308,Cc1ccc(C(=O)O)o1,2.32,2.4218392372131348,0.0669351327532114,132,1
OADMET-0002307,Cc1c(N)cccc1Cl,2.89,2.8891093730926514,0.07006741098560532,481,1
OADMET-0002306,O=C(O)c1cc(Br)cc(Br)c1O,2.89,2.8558663368225097,0.092384249585048,48,1
OADMET-0002305,O=C(O)c1cc(-c2cccs2)on1,2.18,2.2509188652038574,0.05838585069071971,17,0
OADMET-0002304,NCCCc1ccccc1,2.2,3.0691176414489747,0.12660213066392023,18,4
OADMET-0002303,COc1ccc(OCC(=O)O)cc1,2.76,2.5791115760803223,0.04206484576511119,0,0
OADMET-0002302,NCCCn1ccnc1,2.82,2.6667415142059325,0.1502288849148963,1270,4
OADMET-0002301,NCCc1ccc(S(N)(=O)=O)cc1,2.91,1.9109756231307984,0.13217146887588643,88,2
OADMET-0002300,CCOc1ccccc1C(=O)O,2.1,2.3055477142333984,0.07736074081751014,2,3
OADMET-0002299,O=C(O)c1sc2cc(Cl)ccc2c1Cl,3.05,3.303501319885254,0.07988013789956411,33,4
OADMET-0002298,COc1cccc(OC)c1C(=O)O,2.13,2.6967833995819093,0.1925408078449742,0,0
OADMET-0002297,COc1cccc2cc(C(=O)O)c(=O)oc12,2.2,2.7779612064361574,0.0355739689249742,38,0
OADMET-0002296,O=C(O)c1cc2cc(F)ccc2[nH]1,2.01,2.6964249134063722,0.13593332921793252,31,3
OADMET-0002295,NC(=O)C1CCNCC1,2.09,2.4136662006378176,0.10587215375363362,482,2
OADMET-0002294,NC(=O)C1(N2CCCCC2)CCNCC1,2.06,2.305107927322388,0.0499152275527652,159,4
OADMET-0002293,c1ccc2c(c1)CCNC2,2.22,2.5693435668945312,0.11547172949350405,1269,3
OADMET-0002292,NCc1cccnc1,1.92,2.3288036823272704,0.14408765172977164,51,2
OADMET-0002291,O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O,4.27,3.46255202293396,0.08192460817510674,78,1
OADMET-0002290,O=C(O)c1cccs1,2.12,2.339777421951294,0.061205323153541366,56,0
OADMET-0002289,O=C(O)COc1ccc(Br)cc1,2.97,2.737507772445679,0.04889177935058103,3,4
OADMET-0002288,O=C(O)CSc1nc2ccccc2s1,2.96,3.147639751434326,0.1476639355633508,58,2
OADMET-0002287,O=C(O)COc1ccc(Cl)cc1,2.76,2.92149977684021,0.053822997988872884,3,4
OADMET-0002286,O=C(O)c1ccc2c(c1)OCO2,2.55,2.531687831878662,0.06674328720822637,55,4
OADMET-0002285,CCOc1ccc(C(=O)O)cc1,2.21,2.7031605720520018,0.06979217958960747,0,0
OADMET-0002284,Cc1cc2oc(C(=O)O)c(C)c2cc1C,3.5,3.01940975189209,0.07064125039577049,134,0
OADMET-0002283,O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1,3.52,3.0521167755126952,0.13961193973442754,22,1
OADMET-0002282,O=C(O)c1ccc(-c2cccc(F)c2)nc1,2.73,2.343676710128784,0.14483661554005084,5,2
OADMET-0002281,O=C(O)c1ccc(OC(F)F)c(OCC2CC2)c1,3.65,3.3959495067596435,0.07786838884748873,450,1
OADMET-0002280,O=C(O)c1ccncc1,1.96,2.3420727252960205,0.04421525487996832,0,0
OADMET-0002279,O=C(O)CCn1c(=O)oc2ccccc21,1.97,2.7093766212463377,0.0596004330694683,26,0
OADMET-0002278,O=C(O)C1COc2ccccc2O1,2.91,2.3554055213928224,0.16874798523446946,489,2
OADMET-0002277,COc1ccc(C(=O)O)cc1,2.26,2.571109962463379,0.03282139007062965,0,0
OADMET-0002276,Cc1ccc(C(=O)O)cc1Cl,2.88,2.6395796298980714,0.07450725105297197,6,4
OADMET-0002275,Cc1cc(Cl)ccc1OCC(=O)O,2.96,3.2967653274536133,0.12183877740187224,1,2
OADMET-0002274,O=C(O)c1cc([N+](=O)[O-])ccc1Cl,1.85,2.4099589347839356,0.05897844166239138,2,3
OADMET-0002273,COc1cccc(C(=O)O)c1,2.48,2.403331184387207,0.0548081507103529,0,0
OADMET-0002272,O=C(Nc1ccccc1C(=O)O)c1ccco1,3.13,2.6066285610198974,0.10741872497381266,28,2
OADMET-0002271,COc1ccc(C(=O)O)cc1Br,3.02,2.5468863964080812,0.060621865410947176,0,0
OADMET-0002270,O=C(O)c1cccnc1Cl,2.11,2.679364013671875,0.09132121617268163,2,3
OADMET-0002269,CCC(CC)C(=O)O,2.35,2.5168463230133056,0.2733681300577381,87,4
OADMET-0002268,CCCCCCCCCCCCCCCC(=O)O,2.5,2.764379787445068,0.09399281695162676,125,0
OADMET-0002267,O=C(O)c1cc(-c2ccc(Cl)cc2Cl)on1,3.37,2.6552831172943114,0.06035959061558267,17,0
OADMET-0002266,Cc1nc(SCC(=O)O)c2c(C)c(C)sc2n1,3.88,2.3339234352111817,0.13259784783803805,446,4
OADMET-0002265,Cc1onc(-c2ccccc2Cl)c1C(=O)O,2.94,2.822109842300415,0.09071052809087173,29,0
OADMET-0002264,O=C(O)c1cccc([N+](=O)[O-])c1,2.02,1.9914775609970092,0.1381324071438406,5,2
OADMET-0002263,O=C(O)c1c(F)cccc1F,1.82,2.16351580619812,0.09198409459760493,5,2
OADMET-0002262,Cc1cc(C)cc(C(=O)O)c1,1.97,2.475364398956299,0.0375404084066658,6,4
OADMET-0002261,O=C(O)c1cc2c(ccc3ccccc32)o1,3.38,2.744481897354126,0.1586964406613907,240,2
OADMET-0002260,COc1ccc(Br)cc1C(=O)O,2.01,2.903528022766113,0.15745254311134868,1,2
OADMET-0002259,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O,4.01,3.224599313735962,0.18282321577158775,29,0
OADMET-0002258,O=C(O)c1cccc(F)c1,2.66,2.084490919113159,0.13565257240136896,5,2
OADMET-0002257,COc1cccc(OCC(=O)O)c1,3.23,2.704620599746704,0.07000845710722647,3,4
OADMET-0002256,O=C(O)c1cc(Br)c(Br)s1,3.03,2.9497602939605714,0.08658036676748534,488,1
OADMET-0002255,CCCCCCCC/C=C\CCCCCCCC(=O)O,2.17,2.6996388912200926,0.09932563118578079,133,1
OADMET-0002254,CCCCCCCCC(=O)O,2.45,2.4679360389709473,0.07491807820857899,125,0
OADMET-0002253,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O,3.05,3.857951307296753,0.11059357470694622,11,3
OADMET-0002252,O=C(O)COc1ccc(C(=O)c2ccccc2)cc1,2.04,2.5266261100769043,0.08009896066817478,3,4
OADMET-0002251,O=C(O)c1c(F)cccc1Cl,2.57,2.0009677410125732,0.055755780484449666,2,3
OADMET-0002250,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,4.14,3.7064719200134277,0.08322392572356524,487,0
OADMET-0002249,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,3.05,2.680605411529541,0.16566586694591645,78,1
OADMET-0002248,CCC(C(=O)O)c1ccccc1,2.45,2.879127788543701,0.059799914349780145,19,2
OADMET-0002247,O=C(O)c1ccc([N+](=O)[O-])cc1,2.55,2.3133689880371096,0.05460929590733643,0,0
OADMET-0002246,O=C(O)c1ccco1,1.92,2.3033459186553955,0.06708019770067447,17,0
OADMET-0002245,CCc1nn(C)c(C(=O)O)c1Cl,2.64,2.316887140274048,0.09579688145416977,486,3
OADMET-0002244,CCc1nc2ccc(C(=O)O)cc2nc1CC,2.05,2.2216819763183593,0.07619462698826125,239,1
OADMET-0002243,O=C(O)c1ccc(I)cc1,3.18,2.4017448902130125,0.05956864523070507,0,0
OADMET-0002242,O=C(O)CN1CCOCC1,2.01,2.2423275470733643,0.07595208836660139,86,3
OADMET-0002241,O=C(O)c1cnc2sccn2c1=O,2.75,1.8455378055572509,0.07233640841356961,238,2
OADMET-0002240,O=C(O)c1ccc(NC(=O)c2ccco2)cc1,3.05,2.275978183746338,0.08116314008338316,28,2
OADMET-0002239,COc1ccc(C(=O)O)cc1OC,2.07,2.2244311332702638,0.0386367899478516,0,0
OADMET-0002238,Cc1oncc1C(=O)O,2.19,2.4427539825439455,0.15019519264816814,485,1
OADMET-0002237,O=C(O)C(Sc1ccccc1)c1ccccc1,3.72,3.846714973449707,0.17526875889912671,19,2
OADMET-0002236,O=C(O)c1cccc(-c2ccco2)c1,2.92,2.3337196350097655,0.1486909670805012,5,2
OADMET-0002235,O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,2.88,2.826442241668701,0.0821996707144215,6,4
OADMET-0002234,O=C(O)CC1c2ccccc2Oc2ccccc21,3.75,4.381668472290039,0.14537230281848948,466,3
OADMET-0002233,O=C(O)CN1CCCC1=O,1.88,2.290600395202637,0.14003925685347515,10,1
OADMET-0002232,CC(=O)Nc1ccc(C(=O)O)cc1,2.69,2.9760344505310057,0.07181146457968379,0,0
OADMET-0002231,O=C(O)CC(c1ccccc1)c1ccccc1,3.7,3.712828493118286,0.03802073121824746,18,4
OADMET-0002230,O=C(O)C(CO)c1ccccc1,2.49,2.433519220352173,0.10564500800678313,19,2
OADMET-0002229,Cc1ccccc1C(=O)O,2.61,2.303453731536865,0.10513862921518675,2,3
OADMET-0002228,O=C(O)c1cc2ccccc2cc1O,3.04,3.018054723739624,0.08215366245908226,2,3
OADMET-0002227,COc1cc(C(=O)O)cc(OC)c1OCc1ccccc1,2.87,2.864306020736694,0.10019665234550262,37,4
OADMET-0002226,O=C(O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,2.02,2.3073599338531494,0.06714861082361688,484,2
OADMET-0002225,O=C(O)c1cccc2c(Br)cccc12,3.54,3.2718075275421143,0.12651038302698175,2,3
OADMET-0002224,CC(CC(=O)O)c1ccccc1,3.24,3.0092702388763426,0.15353816475001394,19,2
OADMET-0002223,CN1CCCCC1C(=O)O,2.1,2.191843271255493,0.16237511388738854,85,2
OADMET-0002222,COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC,2.03,2.275164842605591,0.072437676070972,1,2
OADMET-0002221,O=C(O)c1cnccn1,2.64,2.105926275253296,0.05843538947372788,237,0
OADMET-0002220,COc1cc(C(=O)O)cc(OC)c1OC,1.88,1.9524510622024536,0.07326453649123063,0,0
OADMET-0002219,Cc1ccc(C(=O)O)cc1,1.98,2.541565990447998,0.015864836142115257,0,0
OADMET-0002218,Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O,3.44,2.791148567199707,0.06930799105553748,36,0
OADMET-0002217,COc1ccc(Cl)cc1C(=O)O,2.05,2.6176674365997314,0.15832792542231372,1,2
OADMET-0002216,Cc1c(C(=O)O)cccc1-c1ccc(OC(F)(F)F)cc1,2.96,2.702360200881958,0.06647190182505133,458,0
OADMET-0002215,Cc1c(C(=O)O)oc2ccc(F)cc12,2.52,2.863548421859741,0.1280861102454496,76,2
OADMET-0002214,O=C(O)CSCc1ccc(Cl)cc1,3.93,3.0713985443115233,0.2315346046903482,3,4
OADMET-0002213,CC(C)c1ccc(OCc2ccc(C(=O)O)cc2)cc1,2.98,3.252117729187012,0.06887333232889517,0,0
OADMET-0002212,O=C(O)c1ccccc1O,2.01,2.326110029220581,0.14276877236028826,2,3
OADMET-0002211,CC(C)C(=O)O,1.85,2.4754787921905517,0.2385373921748316,87,4
OADMET-0002210,O=C(O)CCSc1ccccc1,1.91,2.413611555099487,0.08383280980240389,18,4
OADMET-0002209,O=C(O)Cc1ccccc1[N+](=O)[O-],2.72,2.3024728775024412,0.06265694588149127,471,0
OADMET-0002208,O=C(O)c1ccc(-c2ccc(Cl)cc2)o1,3.05,3.014987659454346,0.08088415664816315,132,1
OADMET-0002207,O=C(O)c1ccc2ccccc2n1,2.89,2.433559703826904,0.1489775816200462,211,2
OADMET-0002206,COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,2.84,2.404364538192749,0.11746486217995644,0,0
OADMET-0002205,O=C(O)c1cc(Cl)ccc1O,2.33,2.311001920700073,0.1301509768594387,1,2
OADMET-0002204,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,3.67,3.547153854370117,0.15801490427958673,19,2
OADMET-0002203,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,4.08,3.6778520584106444,0.09575581646494143,11,3
OADMET-0002202,O=C(O)c1cc2ccccc2oc1=O,2.98,2.5628262519836427,0.10894354629123922,20,2
OADMET-0002201,O=C(O)COc1ccc([N+](=O)[O-])cc1,2.25,2.410814332962036,0.04388798930445421,3,4
OADMET-0002200,O=C(O)c1cccnc1,2.24,1.8559062242507935,0.07652445849596577,5,2
OADMET-0002199,O=C(O)CN1CCCC1,1.95,1.816306185722351,0.0810752177796443,236,4
OADMET-0002198,O=C(O)CCCCN1CCOCC1,2.77,2.650835084915161,0.06822978503650858,86,3
OADMET-0002197,CC(C)(O)C(=O)O,1.95,1.8625964164733886,0.15661732619291838,1268,2
OADMET-0002196,O=C(O)CCc1ccccc1,3.01,2.8482712745666503,0.0848313538577243,18,4
OADMET-0002195,CC(C)CC(=O)O,2.9,2.9298660278320314,0.143288419343435,87,4
OADMET-0002194,O=C(O)Cc1ccc(Cl)cc1,2.54,2.9690977573394775,0.0921701384728131,3,4
OADMET-0002193,CC(C)(C)c1ccc(C(=O)NCCC(=O)O)cc1,2.65,3.719897747039795,0.0878202541471605,15,3
OADMET-0002192,O=C(O)CSc1ccc(Cl)cc1,3.05,2.504474401473999,0.09094516642631914,3,4
OADMET-0002191,O=C(O)CCSc1ccc(Cl)cc1,3.73,2.6771663188934327,0.07984809225856088,3,4
OADMET-0002190,O=C(O)c1ccc(Cl)cc1[N+](=O)[O-],2.93,2.541761302947998,0.11588668351212005,1,2
OADMET-0002189,CCCCN1CCCCC1C(=O)O,1.83,2.1635159254074097,0.10292930829495743,85,2
OADMET-0002188,O=C(O)CS,2.1,2.11547908782959,0.06445612841597509,1267,1
OADMET-0002187,Cc1ccc(C(=O)O)cc1C#Cc1cnc2cccnn12,2.06,2.6198925971984863,0.08205665489431803,463,0
OADMET-0002186,CCCCOc1cc(C(=O)O)c2ccccc2n1,3.79,3.448731231689453,0.12181194879207237,11,3
OADMET-0002185,O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1.82,3.169704627990723,0.07629454840189272,17,0
OADMET-0002184,O=C(O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,3.5,4.170794868469239,0.05979712488465724,11,3
OADMET-0002183,O=C(O)C(Cl)Cl,1.92,2.3091052055358885,0.0909455065639535,87,4
OADMET-0002182,O=C(O)COc1ccc(F)cc1,2.58,2.8575789451599123,0.049021448185183385,3,4
OADMET-0002181,CC(=O)c1c(C)[nH]c(C(=O)O)c1C,2.14,2.2431729316711424,0.08815105676178046,483,1
OADMET-0002180,C1CCN(C2CCNCC2)C1,1.89,2.053968620300293,0.1459110917324511,1266,0
OADMET-0002179,O=C(O)Cn1c(=O)oc2ccccc21,3.03,2.456417369842529,0.09973784773577425,26,0
OADMET-0002178,COC(=O)C1CCNCC1,2.45,2.914195251464844,0.07550562804177277,482,2
OADMET-0002177,CCCCOc1ccc(C(=O)O)cc1,2.36,2.6368589401245117,0.08028470307891306,0,0
OADMET-0002176,COc1ccccc1C(=O)O,2.73,2.251553201675415,0.08491279332210197,0,0
OADMET-0002175,O=C(O)c1cccc(-n2cnnn2)c1,3.03,2.0294519662857056,0.12310268632903643,5,2
OADMET-0002174,CC(C)CCN,1.82,2.799249219894409,0.20723041366184192,479,4
OADMET-0002173,CC(=O)Oc1ccccc1C(=O)O,2.61,2.3297095775604246,0.11418194124022762,2,3
OADMET-0002172,CN(C)S(=O)(=O)c1cccc(C(=O)O)c1,2.42,2.2519972801208494,0.16765195832429175,5,2
OADMET-0002171,O=C(O)C(c1ccccc1)c1ccccc1,3.36,3.5671746253967287,0.12305374617017131,19,2
OADMET-0002170,O=C(O)C1CCCCC1,2.19,2.314728879928589,0.14488576667300265,1265,4
OADMET-0002169,CC(C)(C)c1ccc(C(=O)O)cc1,2.86,2.4815256118774416,0.12995434509394468,0,0
OADMET-0002168,Cc1ccc(C)c(-n2cnc3cc(C(=O)O)ccc32)c1,3.0,3.026989793777466,0.11773292443058977,462,1
OADMET-0002167,O=C(O)COc1ccc2ccccc2c1,3.11,3.031504440307617,0.05235256875701362,3,4
OADMET-0002166,N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1,2.22,3.067699670791626,0.3124415457187212,456,3
OADMET-0002165,CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1,2.92,2.226237678527832,0.16656607071322774,27,4
OADMET-0002164,COc1ccc(CCCC(=O)O)cc1,2.82,2.638212251663208,0.04897371851344577,0,0
OADMET-0002163,O=C(O)c1cc(Cl)cc(Cl)c1O,2.99,2.464515972137451,0.13651335212351207,1,2
OADMET-0002162,Nc1ncc([N+](=O)[O-])s1,1.79,2.3208752155303953,0.11155424389993393,1264,3
OADMET-0002161,Cc1cccc(C)c1N,2.57,2.2342468738555907,0.11630186500450622,476,2
OADMET-0002160,NCCN1CCOCC1,1.82,2.419335889816284,0.0678374491500179,86,3
OADMET-0002159,CCN(CC)CC(=O)O,1.99,2.3337839126586912,0.0872255534660176,1263,1
OADMET-0002158,CC(C)(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1,3.27,3.021401119232178,0.08596689870766067,235,0
OADMET-0002157,O=C(O)c1cc(Cl)cc(Cl)c1,2.17,2.777268314361572,0.04739821508417299,6,4
OADMET-0002156,O=C(O)c1ccccc1Cl,2.36,2.395385503768921,0.059518280788464197,2,3
OADMET-0002155,O=C(O)c1sc2ccccc2c1Cl,3.02,2.6887264251708984,0.08675271047318638,84,0
OADMET-0002154,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,3.47,2.2040117740631104,0.13571385749637152,1262,0
OADMET-0002153,CN1CCNCC1,1.8,2.204759120941162,0.13580518639584935,1261,4
OADMET-0002152,CCOC(=O)N1CCNCC1,2.85,2.3800867080688475,0.16049395104753128,1260,3
OADMET-0002151,O=C(O)c1cc(-c2ccccc2)on1,2.77,2.2980736255645753,0.06958433244043875,17,0
OADMET-0002150,O=C(O)c1ccc(Cl)c(Cl)c1,1.94,2.7359766483306887,0.1398542006896454,5,2
OADMET-0002149,O=C(O)c1cncc(Br)c1,1.98,2.453593683242798,0.10303587324911992,234,1
OADMET-0002148,O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1,2.78,2.1893431425094603,0.09812141753669584,6,4
OADMET-0002147,O=C(O)c1cc(-c2ccco2)on1,3.19,2.2989370822906494,0.056261812314262576,17,0
OADMET-0002146,N#Cc1cccc(C(=O)O)c1,1.87,1.8173737525939941,0.13018097515975247,5,2
OADMET-0002145,N#CCC(=O)O,2.02,2.1079581022262572,0.08760541945380954,1259,4
OADMET-0002144,O=C(O)COc1cccc2ccccc12,3.42,3.29284348487854,0.07096934684197133,35,0
OADMET-0002143,O=C(O)c1ccc(Cl)cc1,3.01,2.7388683319091798,0.045788961342657045,0,0
OADMET-0002142,O=C(O)c1ccc(C(F)(F)F)cc1,2.15,2.5612327575683596,0.0913017128843345,0,0
OADMET-0002141,CC1CN(c2ccc(N)cn2)CC(C)O1,2.83,2.1855751037597657,0.1359473764634748,1258,0
OADMET-0002140,Nc1nnc(C2CC2)s1,2.52,2.4952431201934813,0.19601914912884752,1257,1
OADMET-0002139,Cc1nc2c([nH]1)-c1ccccc1NCC2,2.96,3.0374326705932617,0.13681106852718677,1256,0
OADMET-0002138,Nc1cccc([N+](=O)[O-])c1,1.96,2.430423879623413,0.10117736658647063,34,3
OADMET-0002137,Nc1ccccc1,3.22,2.028177857398987,0.1388016980591541,54,3
OADMET-0002136,Cc1c(N)cccc1[N+](=O)[O-],1.83,2.2436514854431153,0.14723000285546956,481,1
OADMET-0002135,Cc1ccc(C)c(N2CCNCC2)c1,3.41,2.998903226852417,0.17985533855784017,52,3
OADMET-0002134,CCNCc1ccncc1,2.85,2.2532912731170653,0.11777304550561807,51,2
OADMET-0002133,c1ccc(C(c2ccccc2)N2CCNCC2)cc1,3.95,3.9548644542694094,0.13444974799143078,221,1
OADMET-0002132,O=C(CN1CCNCC1)N1CCOCC1,2.95,2.2278901100158692,0.10194688709694244,49,0
OADMET-0002131,c1ccc(CC2CCNCC2)cc1,3.1,2.7229466915130613,0.030534733993895623,9,2
OADMET-0002130,Nc1ccc(Cl)c(C(F)(F)F)c1,2.81,2.614986801147461,0.17673260634189986,27,4
OADMET-0002129,Nc1cc(C(F)(F)F)ccc1Cl,2.45,3.434159278869629,0.05905174447866702,27,4
OADMET-0002128,CNc1ccc(Cl)cc1,2.87,2.6066142082214356,0.16456172050724255,1255,1
OADMET-0002127,Nc1c(-c2cccs2)nc2ccccn12,3.92,3.572111415863037,0.1470211473122249,459,4
OADMET-0002126,c1ccc2c(c1)CCc1ccccc1N2,3.22,5.2756591796875,0.13200707732913197,1254,2
OADMET-0002125,O=C(c1ccco1)N1CCNCC1,2.16,2.1799992322921753,0.11891572815571841,53,1
OADMET-0002124,Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,3.59,6.371702861785889,0.34801365181727556,77,0
OADMET-0002123,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1,3.56,3.9465227127075195,0.18892285046133087,480,0
OADMET-0002122,Cc1[nH]c2ccccc2c1CCN,4.15,2.999273109436035,0.06201737280924333,222,1
OADMET-0002121,Nc1cccc(C(F)(F)F)c1,2.91,2.6978451728820803,0.17382341376696908,27,4
OADMET-0002120,NCc1ccccc1CN1CCCC1,1.95,1.928191900253296,0.12015907874231777,228,0
OADMET-0002119,CC(C)N(CCN)C(C)C,2.73,2.3177578449249268,0.18422126394859248,479,4
OADMET-0002118,Nc1c(Cl)cncc1Cl,1.77,2.9018306732177734,0.235524274423586,1253,3
OADMET-0002117,NCCCN1CCOCC1,2.4,2.459389162063599,0.06864232514367756,86,3
OADMET-0002116,Nc1nc2ccccc2s1,3.11,3.0522663593292236,0.28361041758901756,34,3
OADMET-0002115,Nc1cc(Cl)ccc1O,3.65,2.654983139038086,0.16369280274179876,233,3
OADMET-0002114,Nc1ccc([N+](=O)[O-])cn1,2.53,2.0100574493408203,0.06654952756507597,232,2
OADMET-0002113,Nc1noc2ccccc12,3.0,2.5648252964019775,0.1186770694378356,1252,2
OADMET-0002112,Nc1ccc(C(F)(F)F)cc1,2.97,2.4156236171722414,0.23596552589456604,27,4
OADMET-0002111,Nc1ccc([N+](=O)[O-])cc1Cl,2.97,2.309690237045288,0.12806701219219999,34,3
OADMET-0002110,Nc1ccc(Br)cc1,2.0,2.330654239654541,0.07543021739269459,54,3
OADMET-0002109,COc1ccc(N)cc1,2.53,2.51188440322876,0.0999699380490409,0,0
OADMET-0002108,NCCS(=O)(=O)O,2.515,2.139890670776367,0.05211334199095506,1251,4
OADMET-0002107,OC1CCCNc2ccc(Cl)cc21,2.6,4.260513591766357,0.12095686435430192,1250,0
OADMET-0002106,NCc1ccccn1,2.02,2.215212917327881,0.1011997714942299,478,3
OADMET-0002105,CN1CCN(c2ccc(N)cc2)CC1,1.86,2.5254700660705565,0.10048003137692628,241,4
OADMET-0002104,NCCc1c[nH]c2ccccc12,2.81,2.674207592010498,0.05100433227755106,14,1
OADMET-0002103,C1COCCN1,3.18,2.3355228424072267,0.11957161726318695,1249,4
OADMET-0002102,CC1CCNCC1,2.82,2.1798431396484377,0.14074243076679593,1248,0
OADMET-0002101,Clc1ccc2c(N3CCNCC3)ccnc2c1,3.26,2.5714886665344237,0.14187680615163273,460,4
OADMET-0002100,O=C(Nc1ccc(Cl)cc1)C1CCCNC1,3.01,2.960679292678833,0.13350596353876168,1247,1
OADMET-0002099,Oc1ccccc1N1CCNCC1,1.98,2.597345733642578,0.13056710062915214,52,3
OADMET-0002098,NC1CCCCC1,2.05,1.7814309120178222,0.07885469312280317,230,1
OADMET-0002097,NCc1ccc(Cl)cc1,2.67,2.649631309509277,0.03153336511181232,51,2
OADMET-0002096,NCc1cccs1,2.51,2.074187922477722,0.14419968455438475,1246,2
OADMET-0002095,NCc1ccncc1,2.85,2.4241752147674562,0.1703373333179783,51,2
OADMET-0002094,NC1CCCC1,1.93,1.862632656097412,0.14200363958297235,230,1
OADMET-0002093,O=C(c1cccs1)N1CCNCC1,2.45,1.9628373622894286,0.09701013000797366,53,1
OADMET-0002092,C1CCC2(CC1)NCCO2,1.98,3.2636301517486572,0.27128869290601043,1245,1
OADMET-0002091,Cc1ccc(Oc2ccc(CN)cc2)cc1,2.83,2.213806390762329,0.18622812540919265,231,1
OADMET-0002090,C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ccc12,1.91,1.881895613670349,0.1563080954959892,461,2
OADMET-0002089,CNCc1ccco1,1.95,2.403842878341675,0.06594099126793368,1244,0
OADMET-0002088,COc1ccc(CN2CCNCC2)cc1,2.08,2.9363502502441405,0.14875472959579525,81,3
OADMET-0002087,NC1CCCCCC1,2.69,1.6793034315109252,0.05698762848651306,230,1
OADMET-0002086,Nc1ccc(F)cc1F,1.85,2.3479389190673827,0.08164948639903577,1243,4
OADMET-0002085,Nc1cccc(Cl)c1,2.71,2.9011154651641844,0.17839467852078872,54,3
OADMET-0002084,Nc1ccc(-c2cccnc2)cc1,1.84,2.751411867141724,0.13855586230980882,229,0
OADMET-0002083,CCn1c2ccccc2c2cc(N)ccc21,4.28,4.380850505828858,0.13711754285004543,121,0
OADMET-0002082,NCc1ccccc1Cl,2.64,2.305606746673584,0.05494890066141675,228,0
OADMET-0002081,COc1ccc(N)c(OC)c1,3.02,2.6570055961608885,0.12880282396056908,83,4
OADMET-0002080,COc1ccc(C2(CN)CCOCC2)cc1,3.32,2.2102983474731444,0.09305928407334578,477,0
OADMET-0002079,Nc1ccc(O)cc1,2.07,2.2938749313354494,0.1069516608935112,54,3
OADMET-0002078,Nc1ccc(Cl)cc1C(F)(F)F,1.91,2.3529056549072265,0.14220243761939674,27,4
OADMET-0002077,Nc1nc2ccc([N+](=O)[O-])cc2s1,2.06,2.715972900390625,0.1474014217572696,34,3
OADMET-0002076,Cc1ccnc(N)c1,2.9,2.958055353164673,0.19472968229302445,1242,1
OADMET-0002075,Nc1nnc(-c2ccncc2)s1,2.41,2.2056570053100586,0.0981921817887401,1241,1
OADMET-0002074,Cc1cc(C)c(N)c(C)c1,1.82,2.3945667266845705,0.11963573027253428,476,2
OADMET-0002073,Nc1ccccc1-c1ccc(Cl)cc1,1.94,3.0507977962493897,0.07863579706222124,475,4
OADMET-0002072,Nc1ccccc1N1CCCC1,2.09,3.3291882991790773,0.14083576032514275,241,4
OADMET-0002071,Fc1cccc(CN2CCNCC2)c1,2.72,2.9320683002471926,0.11148052582525537,81,3
OADMET-0002070,O=[N+]([O-])c1ccc(N2CCNCC2)cc1,2.92,2.012921905517578,0.04980211854399871,227,1
OADMET-0002069,Cc1cc(Br)ccc1N,2.88,2.3660630702972414,0.09769780937153384,474,3
OADMET-0002068,Nc1ccccc1-c1ccccc1,1.87,2.3927162170410154,0.0795341685561377,54,3
OADMET-0002067,OCCNCCO,2.6,2.446315860748291,0.08830604175844235,1240,0
OADMET-0002066,CCOC(=O)c1cccc(N)c1,2.69,2.386989402770996,0.08443958650429362,124,1
OADMET-0002065,Nc1ccc(Cl)c(Cl)c1,2.39,2.8128748893737794,0.125492358344912,27,4
OADMET-0002064,NCCc1ccccc1,2.12,3.055946922302246,0.055326242489657444,18,4
OADMET-0002063,COc1cc(N)cc(OC)c1,3.96,3.4448162078857423,0.12711024352516628,83,4
OADMET-0002062,Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,2.44,2.308222770690918,0.158188583764328,27,4
OADMET-0002061,NC1CCN(Cc2ccccc2)CC1,1.98,2.2966198444366457,0.12895813938703207,25,2
OADMET-0002060,COc1cc(CN)ccc1O,2.49,2.5448937892913817,0.07638606696004736,82,4
OADMET-0002059,Nc1cc(-c2ccccc2)nn1-c1ccccc1,4.08,4.774484443664551,0.07481487235824107,473,2
OADMET-0002058,CC[C@H](N)c1ccccc1,2.13,2.1089649200439453,0.147755394643278,19,2
OADMET-0002057,C1CCCNCCC1,1.97,2.636794662475586,0.2648816843870462,472,1
OADMET-0002056,c1cc2c(cc1CN1CCNCC1)OCO2,2.82,2.8244633197784426,0.12553752566579257,81,3
OADMET-0002055,c1ccc(N2CCNCC2)nc1,1.94,2.665876340866089,0.17565529842460828,52,3
OADMET-0002054,c1cnc(N2CCNCC2)nc1,1.83,3.265000247955322,0.21289589390217628,52,3
OADMET-0002053,Fc1ccccc1N1CCNCC1,2.49,2.4917179584503173,0.07282069959142275,24,3
OADMET-0002052,C1CCCNCC1,2.49,2.3950641632080076,0.16157034274941184,472,1
OADMET-0002051,CCN(CC)CCN,2.01,2.177742052078247,0.06741915855000814,1239,4
OADMET-0002050,CC(C)(C)c1ccc(CN)cc1,1.88,3.14459810256958,0.14167068209451922,51,2
OADMET-0002049,NCCO,2.86,2.8915876865386965,0.19719525231557322,1238,0
OADMET-0002048,CN(C)C1(CN)CCCC1,2.01,1.913431453704834,0.24652605464343658,1237,1
OADMET-0002047,C#CC(C)(C)N,2.01,1.4816598176956177,0.15058789619032417,1236,2
OADMET-0002046,NCC1CCCO1,1.92,2.5029577732086183,0.15775439892874105,1235,3
OADMET-0002045,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl,4.51,4.632360553741455,0.15504399896923138,471,0
OADMET-0002044,Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1,3.73,3.6637455463409423,0.074652103682828,470,1
OADMET-0002043,Cc1cc(Br)ccc1NC(=O)CCSc1ccccc1,4.46,4.765142726898193,0.06608109982844862,469,0
OADMET-0002042,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc2C1,5.61,5.2158105850219725,0.11575554294142398,29,0
OADMET-0002041,CCC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1,5.03,5.802925777435303,0.14741874471212724,19,2
OADMET-0002040,O=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,3.55,4.473355960845947,0.1300812572840472,56,0
OADMET-0002039,O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(C(=O)c2ccco2)CC1,3.04,3.504528617858887,0.08809790841210312,53,1
OADMET-0002038,COc1ccc(C(=O)NCCCN2CCOCC2)cc1OC,2.0,3.0049845218658446,0.10114229067463769,16,1
OADMET-0002037,O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,2.98,3.411706256866455,0.09931707641146084,53,1
OADMET-0002036,CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1,4.09,3.7100109100341796,0.114466816300339,131,2
OADMET-0002035,CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1,4.95,4.791863536834716,0.04468116084542191,226,4
OADMET-0002034,O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1,4.17,3.6409299850463865,0.08211528704732379,468,4
OADMET-0002033,CCOc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,3.88,3.8428460121154786,0.0942364455553471,130,2
OADMET-0002032,COc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OC,3.89,4.04480299949646,0.07408874505892435,26,0
OADMET-0002031,CN1CCN(C(=O)C2CCCCC2)CC1,1.96,2.153483009338379,0.07279037183507941,1234,2
OADMET-0002030,O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)C1,4.57,4.542319393157959,0.13445641166496625,80,2
OADMET-0002029,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1,4.37,4.665840148925781,0.0627868988562064,29,0
OADMET-0002028,Cc1ccc(SC(C)C(=O)NCc2cccnc2)cc1,3.95,3.9585195064544676,0.1978653642071001,225,3
OADMET-0002027,O=C(CCc1ccccc1)NCc1cccnc1,2.83,4.0231680393219,0.024402667804628964,18,4
OADMET-0002026,O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1,1.95,4.4599100112915036,0.13912607456341705,2,3
OADMET-0002025,O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1,3.75,4.631877803802491,0.1415663965747705,224,3
OADMET-0002024,O=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl,3.1,4.990379810333252,0.07194636670920325,33,4
OADMET-0002023,O=C(NCc1ccc(Cl)cc1)c1cnccn1,2.7,3.1460439682006838,0.20964110421228438,15,3
OADMET-0002022,COc1cc(C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC,3.85,4.1478887557983395,0.05640749483692558,223,4
OADMET-0002021,COc1cccc(OCC(=O)NC2CCCCC2)c1,4.41,4.5811460494995115,0.11214297985549572,25,2
OADMET-0002020,COc1ccc(CCCC(=O)NC2CCCCC2)cc1,3.82,4.428531360626221,0.12823333183473262,129,1
OADMET-0002019,COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1,4.49,4.671148014068604,0.07212564532348342,242,0
OADMET-0002018,CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1,2.36,4.052967596054077,0.12801300089470735,23,3
OADMET-0002017,Cc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C,4.21,4.187577247619629,0.03852438379737076,128,0
OADMET-0002016,COc1ccc(C(=O)N2CCOCC2)cc1Br,2.99,3.3379640579223633,0.16180672226969245,16,1
OADMET-0002015,COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1,4.12,4.878219890594482,0.05771483632069279,243,4
OADMET-0002014,O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1,5.29,4.096591520309448,0.10164144783704737,467,4
OADMET-0002013,O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1,4.28,4.69971284866333,0.11917770429853912,466,3
OADMET-0002012,Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1,4.33,4.61386775970459,0.09343901337358108,50,2
OADMET-0002011,COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1,4.46,4.083861684799194,0.14075451686901042,28,2
OADMET-0002010,O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-],4.87,4.071290779113769,0.16582531919351465,15,3
OADMET-0002009,CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1,3.11,3.5409823417663575,0.16207342811899414,465,3
OADMET-0002008,O=C(NCCCN1CCOCC1)C1COc2ccccc2O1,2.27,3.3041576385498046,0.07114097548955516,16,1
OADMET-0002007,CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,4.83,3.3155431270599367,0.057445223066015155,464,2
OADMET-0002006,CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,5.19,5.0896556854248045,0.18862316422425984,15,3
OADMET-0002005,CC(CC(=O)NC1CCCC1)c1ccccc1,4.24,5.036561584472656,0.18477771296510595,127,4
OADMET-0002004,O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1,2.3,4.028992223739624,0.13789918694546296,124,1
OADMET-0002003,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1,2.34,3.398804473876953,0.07141404325076543,57,0
OADMET-0002002,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,2.58,2.946927881240845,0.12082170975514009,16,1
OADMET-0002001,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,3.1100000000000003,3.743772506713867,0.055716716913906464,463,0
OADMET-0002000,O=C(NCCO)c1ccc(Cl)cc1,1.92,2.3419981479644774,0.070517938883203,15,3
OADMET-0001999,Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl,3.82,2.9783974170684813,0.09823838166846371,6,4
OADMET-0001998,COc1ccccc1CNC(=O)c1cccc(N(C)C)c1,4.87,5.1265209197998045,0.11366920643666156,7,3
OADMET-0001997,COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1,3.61,3.8589526653289794,0.1441548636003235,15,3
OADMET-0001996,O=C(NCCCc1ccccc1)c1cccs1,3.0,4.178849697113037,0.13201816982257433,56,0
OADMET-0001995,O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1,4.32,4.505921077728272,0.08577558278848046,50,2
OADMET-0001994,O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1,3.47,4.745527648925782,0.057733579445335026,48,1
OADMET-0001993,Cc1cccc(C)c1NC(=O)C1CCCCN1C,2.98,4.363497066497803,0.09292462723454148,10,1
OADMET-0001992,O=C(NCC1CCCO1)c1cccc(F)c1,2.95,4.485979080200195,0.05840300171924838,320,1
OADMET-0001991,Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1,4.45,4.662771415710449,0.06989804984525239,222,1
OADMET-0001990,O=C(COc1cccc2ccccc12)N1c2ccccc2CCc2ccccc21,5.29,5.57253589630127,0.05391631065016728,35,0
OADMET-0001989,Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1,4.4,4.88303804397583,0.1255057138342422,462,1
OADMET-0001988,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,1.77,2.344806671142578,0.08770164535175591,461,2
OADMET-0001987,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,2.45,3.6210993766784667,0.15640656851070062,10,1
OADMET-0001986,O=C(Nc1nnc(C2CC2)s1)c1ccncc1,3.85,2.9452478885650635,0.04468558393981508,1233,0
OADMET-0001985,CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C,3.58,3.9006673812866213,0.11619408601875027,31,3
OADMET-0001984,O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1,3.41,3.630053234100342,0.09854914974398635,14,1
OADMET-0001983,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCc2ccccc2C1,4.91,5.109027767181397,0.11232546067421487,78,1
OADMET-0001982,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,4.745,4.538076114654541,0.08836854938274226,10,1
OADMET-0001981,O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,1.81,2.6761364459991457,0.18160372961730278,25,2
OADMET-0001980,O=C(CSc1nc2ccccc2s1)Nc1nccs1,4.06,5.384517860412598,0.04049573755117151,120,4
OADMET-0001979,O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1,3.61,3.786665344238281,0.05782679537936649,460,4
OADMET-0001978,O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1,4.03,4.413995456695557,0.042755145105309415,459,4
OADMET-0001977,COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12,5.42,4.634775829315186,0.15003746048474756,38,0
OADMET-0001976,O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,4.58,5.019587802886963,0.1275778205512224,221,1
OADMET-0001975,COc1ccccc1CNC(=O)c1ccccc1OC,4.78,4.941410064697266,0.09425169087390518,7,3
OADMET-0001974,Cc1cccc(C)c1NC(=O)CN1CCCC1,3.67,4.178280162811279,0.057085256680313376,10,1
OADMET-0001973,COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1,5.19,4.574594402313233,0.08817108161772032,37,4
OADMET-0001972,Cc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.81,3.8999192237854006,0.09555825872538165,458,0
OADMET-0001971,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1,2.84,2.551654052734375,0.11518946896248924,123,4
OADMET-0001970,O=C(c1cc(-c2ccco2)on1)N1CCOCC1,2.22,2.321217346191406,0.12798000125726228,17,0
OADMET-0001969,O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1,4.27,4.386822128295899,0.13047038626975674,457,1
OADMET-0001968,O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,4.48,4.354441833496094,0.09612623415363525,16,1
OADMET-0001967,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,2.18,2.2014116764068605,0.16164642598690715,456,3
OADMET-0001966,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,4.59,4.440691661834717,0.14547368296953836,455,4
OADMET-0001965,O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1,2.08,3.3836410999298097,0.12903573354570552,50,2
OADMET-0001964,CCc1nc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2nc1CC,4.71,4.068774557113647,0.16000419836935087,220,0
OADMET-0001963,Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)CC2)c1,4.39,4.642001438140869,0.07630628957161671,220,0
OADMET-0001962,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,1.84,4.812338352203369,0.10096727645116682,10,1
OADMET-0001961,CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1,3.92,4.046591758728027,0.17318790603408785,454,2
OADMET-0001960,N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,4.84,5.2376314163208,0.1158288448766849,126,2
OADMET-0001958,O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1,1.91,3.0821109771728517,0.15222428283884712,234,1
OADMET-0001957,CCCCCCCCCCCCCCCC(=O)NCCO,1.89,2.962195062637329,0.07197422661016495,125,0
OADMET-0001956,O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCCC1,1.86,4.6110584259033205,0.1285619306167741,34,3
OADMET-0001955,CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1,4.57,4.224748134613037,0.1247001401924274,124,1
OADMET-0001954,CCN(CC)CCNC(=O)COc1ccc(OC)cc1,2.28,2.525336217880249,0.10056953074076701,123,4
OADMET-0001953,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,4.07,3.6899807453155518,0.054640658631116897,82,4
OADMET-0001951,CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,5.95,5.63867769241333,0.1488595402357512,453,2
OADMET-0001950,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,5.66,4.779526805877685,0.10131564928763852,126,2
OADMET-0001949,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,3.47,3.765134906768799,0.1321425532369298,1,2
OADMET-0001948,COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,4.48,4.273509979248047,0.1455226308258831,49,0
OADMET-0001947,O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1,3.6,3.169546031951904,0.12689729678612469,25,2
OADMET-0001946,Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1,4.64,4.864023971557617,0.09085058706804149,452,3
OADMET-0001945,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,1.81,3.2314858436584473,0.12106271016030963,16,1
OADMET-0001944,CCN(CC)CC(=O)Nc1c(C)cccc1C,3.13,4.659671878814697,0.08822955291972863,10,1
OADMET-0001943,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1,5.52,5.131461524963379,0.08600725541006314,29,0
OADMET-0001942,COC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,2.82,3.8597389698028564,0.14105689034038282,20,2
OADMET-0001941,CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,3.0,4.3675329208374025,0.12891049295595342,219,2
OADMET-0001940,O=C(NCCCN1CCOCC1)c1cc(-c2ccc(O)cc2)on1,2.27,2.9095110416412355,0.09193779697441311,16,1
OADMET-0001938,Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1,2.19,4.469320392608642,0.07390326381096948,9,2
OADMET-0001937,Cc1c(NC(=O)C(Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-],5.25,5.280039882659912,0.14810770887677172,451,2
OADMET-0001936,Cc1cc(Cl)ccc1OCC(=O)NCc1ccncc1,2.93,3.6788766860961912,0.21795508423978258,218,4
OADMET-0001935,COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC,4.99,5.034957504272461,0.12103418344173822,217,2
OADMET-0001934,O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1,5.29,4.768465900421143,0.12590604410051762,79,1
OADMET-0001933,NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1,3.63,3.679606533050537,0.13561734432520922,58,2
OADMET-0001932,O=C(CCSc1ccc(Cl)cc1)N1CCCCCC1,5.37,5.509874534606934,0.061584353517437435,216,0
OADMET-0001931,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1,1.97,3.9517660617828367,0.15577526321141813,24,3
OADMET-0001930,CN1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)CC1,3.63,3.515966844558716,0.22629188227373162,235,0
OADMET-0001928,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,5.62,4.79519681930542,0.09918014523677406,36,0
OADMET-0001927,O=C(NC1CCCCCC1)c1cccs1,3.89,4.257241725921631,0.14926440851193745,56,0
OADMET-0001926,O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCCCCC1,5.23,4.977791786193848,0.13996046234174814,78,1
OADMET-0001925,COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1,4.82,4.8795267105102536,0.16289003862641463,23,3
OADMET-0001924,O=C(c1c(F)cccc1F)N1CCN(c2ccccc2F)CC1,3.9,3.7263333320617678,0.15245899551109482,24,3
OADMET-0001923,O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1,3.4,5.893691921234131,0.27601115087356526,77,0
OADMET-0001922,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,4.98,4.455319118499756,0.12137852705293758,450,1
OADMET-0001921,COc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1,1.84,2.2139541149139403,0.10700676518469025,49,0
OADMET-0001920,Cc1ccccc1C(=O)N1CCc2ccccc2C1,1.78,5.205936241149902,0.1253303138349744,9,2
OADMET-0001919,O=C(Nc1ccccc1)c1ccccc1O,1.88,4.052661561965943,0.18229600097113988,22,1
OADMET-0001918,O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O,4.73,4.615760040283203,0.18225001806988333,22,1
OADMET-0001917,CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl,4.16,4.313780879974365,0.06373216015478875,15,3
OADMET-0001916,COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OC,4.95,4.946863269805908,0.10187427858668392,32,4
OADMET-0001914,O=C(CS)Nc1ccccc1,3.88,2.5857966423034666,0.15191957631362338,215,3
OADMET-0001913,O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl,4.875,4.487244510650635,0.07525589237629891,449,1
OADMET-0001912,CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,3.0,3.3295197010040285,0.13873199318009277,214,2
OADMET-0001911,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,4.18,4.152064847946167,0.18325952394802394,214,2
OADMET-0001910,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,2.42,3.2722422599792482,0.1557821611876915,122,2
OADMET-0001909,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,2.415,3.1438488960266113,0.11594887568917736,22,1
OADMET-0001908,COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1,4.05,3.8163577556610107,0.1361986306567047,23,3
OADMET-0001906,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1,4.25,4.250129985809326,0.06347723560237145,213,3
OADMET-0001905,O=C(CN1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1,2.97,3.255299711227417,0.18795451699270874,34,3
OADMET-0001904,Cc1cc(C)cc(C(=O)NCc2ccc3c(c2)OCO3)c1,4.84,4.767575740814209,0.14228969380993853,55,4
OADMET-0001903,O=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl,5.16,5.684311294555664,0.0734412988755097,33,4
OADMET-0001902,COc1ccc2cc(C(=O)N3CCc4ccccc4C3)[nH]c2c1,4.7,4.651593208312988,0.12566281872469673,31,3
OADMET-0001901,COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)cc1,4.06,4.861699390411377,0.11178542176850007,448,0
OADMET-0001900,O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,4.81,3.9550928115844726,0.13338430475064691,28,2
OADMET-0001899,CCn1c2ccccc2c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21,4.95,4.5047462463378904,0.03444673904759321,121,0
OADMET-0001898,O=C(c1cc2cc(F)ccc2[nH]1)N1CCc2ccccc2C1,5.13,4.858052539825439,0.13934999452816027,31,3
OADMET-0001897,Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C,3.48,4.368204879760742,0.09019989731128121,76,2
OADMET-0001895,Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21,3.94,3.6688931465148924,0.0913213784062998,447,4
OADMET-0001894,COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1,5.1,5.375920104980469,0.13885360995883075,1,2
OADMET-0001893,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,1.94,4.902873611450195,0.18772541745644178,212,3
OADMET-0001892,O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1,4.45,4.802907180786133,0.11461070847170675,28,2
OADMET-0001890,CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1,3.37,3.0100022315979005,0.10332908314021161,84,0
OADMET-0001888,COc1ccc(CCNC(=O)c2cnc3scc(C)n3c2=O)cc1OC,4.13,3.799191474914551,0.06452641215584691,26,0
OADMET-0001887,COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1,4.13,4.2975105285644535,0.1735173785916066,23,3
OADMET-0001885,O=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1,3.1,2.7304452419281007,0.10601175907145145,47,0
OADMET-0001884,O=C(NC1CCCC1)c1cc2c(ccc3ccccc32)o1,4.2,5.016912269592285,0.07108852863301772,46,3
OADMET-0001883,O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1,4.75,4.702301979064941,0.07580210014346604,79,1
OADMET-0001882,O=C(Nc1ccccc1)c1cc(Cl)ccc1O,1.81,4.087900543212891,0.15043983561576305,22,1
OADMET-0001881,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2O)CC1,4.6,4.202488899230957,0.14488581368413098,24,3
OADMET-0001880,O=C(NCc1ccccn1)c1ccc2ccccc2n1,3.86,4.148010730743408,0.11057548485056172,211,2
OADMET-0001879,O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,3.53,4.7466856956481935,0.09493591351229753,135,2
OADMET-0001878,O=C(CSc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2,4.83,5.037701225280761,0.05913362140714228,120,4
OADMET-0001877,Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12,4.88,4.467382621765137,0.1044085197348911,76,2
OADMET-0001876,O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1,3.1,3.1651403427124025,0.08687594184174093,48,1
OADMET-0001875,O=C(NCc1cccnc1)c1cnc2sccn2c1=O,1.9,2.9697948932647704,0.16019245008665173,33,4
OADMET-0001874,Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1,4.77,4.5416741371154785,0.08966555787904268,446,4
OADMET-0001872,C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1,3.92,4.315747308731079,0.21749588854231852,1232,2
OADMET-0001871,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,4.38,4.160621643066406,0.11929490824570858,445,4
OADMET-0001870,O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,4.12,4.513225269317627,0.06967355727718383,48,1
OADMET-0001869,O=C(Nc1ccc(O)cc1)c1ccccc1O,2.54,2.863207530975342,0.23557725966357684,22,1
OADMET-0001868,O=C(C(Cl)Cl)N1CCOC12CCCCC2,2.84,3.2691972732543944,0.35068141894716587,1231,3
OADMET-0001867,COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1,3.55,4.74110221862793,0.13100586169771777,444,3
OADMET-0001866,COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1,4.54,4.62013692855835,0.08374986493782328,210,4
OADMET-0001865,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO,2.81,2.51495680809021,0.1333395377870038,133,1
OADMET-0001864,O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1,3.49,3.488458824157715,0.14492620992035424,47,0
OADMET-0001863,CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1,5.06,4.557961940765381,0.1047720994456404,443,2
OADMET-0001862,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,3.27,2.8312612533569337,0.1586506181777497,81,3
OADMET-0001861,O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1,2.01,2.4691237449645995,0.12605206356121304,122,2
OADMET-0001859,O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,2.82,3.9542901515960693,0.1008809683052859,14,1
OADMET-0001858,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,1.9,3.148787593841553,0.10409954223021894,77,0
OADMET-0001857,O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O,4.0,3.726729965209961,0.11048796188286239,22,1
OADMET-0001828,Cc1nsc(C=O)c1C(=O)N1CCC2(CCCC2)CC1,4.3,4.612851810455322,0.07933268115620187,1230,0
OADMET-0001827,Cc1cc(C=O)c(O)c(C(=O)N2CCCC(c3cc(C)n[nH]3)C2)c1,3.62,4.036477518081665,0.08230791000978216,1229,1
OADMET-0001826,O=Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,3.42,3.4149086475372314,0.16639899368083388,442,1
OADMET-0001825,O=CNc1cccc(NC(=O)NCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1,1.62,3.506627416610718,0.170848999931818,1228,2
OADMET-0001824,O=Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1,2.56,3.398827886581421,0.16382672465968035,15,3
OADMET-0001823,CN(C[C@]12CCC[C@H]1OCC2)c1cccc(O)c1C=O,5.23,4.751141357421875,0.14260667884493958,1227,3
OADMET-0001822,CC(C)c1csc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)n1,4.04,4.5638104438781735,0.10345881728687435,402,2
OADMET-0001821,Cc1nn(C)cc1C1CCCN1C(=O)COc1cccc(C=O)c1,4.17,3.992603826522827,0.12210253317552763,209,4
OADMET-0001820,Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1C=O,4.45,3.890642690658569,0.11354156077275292,441,0
OADMET-0001819,O=Cc1coc2ccc(Br)cc2c1=O,3.8,3.163594436645508,0.1573030046805314,1226,4
OADMET-0001818,COc1ccc(OCC(=O)NCc2ccccc2OC)c(C=O)c1,4.05,4.2746072769165036,0.11052609393979149,7,3
OADMET-0001817,C=CC(=O)N1CCC(C(=O)N(Cc2cccnc2)Cc2ccccc2C)CC1,3.77,3.711549711227417,0.1381876859000187,440,0
OADMET-0001816,C=CC(=O)N1CCN(C(=O)CC(O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1,3.99,3.1538065910339355,0.10549744069488062,44,1
OADMET-0001815,C=CC(=O)N(CC)CC(=O)N(CC(=O)NC)CC(C)N1C[C@@H](C)O[C@@H](C)C1,2.81,3.218096208572388,0.17040532309306072,1225,0
OADMET-0001814,C=CC(=O)N(Cc1ccn(C)n1)c1ccc(C(=O)N2CCC(O)CC2)cc1,3.36,2.941334915161133,0.06462215117911618,408,2
OADMET-0001813,C=CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,4.07,2.1838669776916504,0.10430483079242808,1224,3
OADMET-0001812,C=CC(=O)Nc1ccc(C(=O)N(C)C2CCCc3nc(C)sc32)cc1,3.33,3.766322469711304,0.15129982291088281,118,1
OADMET-0001811,C=CC(=O)NCc1ccc(C(=O)N(C2CC2)C2CC(=O)NC2=O)cc1,1.7,2.9096066474914553,0.1432650957860638,12,0
OADMET-0001810,C=CC(=O)NC1(CNC(=O)C(C)(C)c2c(C)noc2C)CCCCCC1,4.7,4.774182415008545,0.12137986665570846,1223,4
OADMET-0001809,C=CC(=O)N(c1ccc(C2CCOC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1,4.33,4.759745788574219,0.10335559286112728,1222,0
OADMET-0001808,C=CC(=O)Nc1ccc(NC(=O)C(C)n2nc(C)cc2C)c(Cl)c1,4.16,3.780123472213745,0.10484561799627992,1221,1
OADMET-0001807,C=CC(=O)Nc1ccc(C(=O)NCc2cc(C)ccc2[N+](=O)[O-])cc1,4.63,3.5407995700836183,0.13280899401115517,439,4
OADMET-0001806,C=CC(=O)NCc1ccccc1CC(=O)NCCc1nnc2c(=O)[nH]ccn12,1.68,3.140260124206543,0.10380975558669928,1220,2
OADMET-0001805,C=CC(=O)NC1(CNC(=O)[C@H]2CCCC[C@H]2c2ccccc2)CCOCC1,4.64,4.755313205718994,0.1454245949294093,438,4
OADMET-0001804,C=CC(=O)NC(C)C1CN(C(=O)c2cccc(Cl)c2Cl)CCO1,4.22,4.238858604431153,0.10646022033074844,1219,3
OADMET-0001803,C=CC(=O)Nc1cccc(CC(=O)NCc2cn(C)nc2-c2cccc(F)c2)c1,4.17,4.212858772277832,0.12078514797582973,73,3
OADMET-0001802,C=CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)c1,3.5,3.9596442699432375,0.10726741747760175,1218,0
OADMET-0001801,C=CC(=O)Nc1ccc(C(=O)NCCCn2ccc(=O)[nH]c2=O)cc1,1.75,2.5377663135528565,0.04619555640367388,437,3
OADMET-0001800,C=CC(=O)N(CC)CC(=O)Nc1ccc(OC)c(C(=O)c2ccccc2)c1,4.53,4.094797563552857,0.10201443172897179,197,2
OADMET-0001799,C=CC(=O)NCC1CCCCC1NC(=O)Cc1csc(C(C)(C)C)n1,5.22,4.857314205169677,0.12160655791882677,208,3
OADMET-0001798,C=CC(=O)NCc1c(Cl)cccc1N(C)Cc1cccnc1,5.25,4.248902702331543,0.14246083131586187,1217,1
OADMET-0001797,C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2CO)cc1,3.59,4.055596399307251,0.11721175024408315,436,2
OADMET-0001796,C=CC(=O)N1CC(CC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1,4.1,3.01091628074646,0.11009109142074569,421,1
OADMET-0001795,C=CC(=O)Nc1ccc(C(=O)NCC2(C3=CCOCC3)CCC2)cc1,3.81,4.050595760345459,0.1266490344548084,118,1
OADMET-0001794,C=CC(=O)NC(CNC(=O)c1nnc2ccccc2n1)c1ccc(C(C)C)cc1,5.37,4.402581119537354,0.11506148878638921,1216,2
OADMET-0001793,C=CC(=O)NCC(NC(=O)C1CC=Cc2ccccc21)c1ccc2ccccc2c1,5.21,4.952333545684814,0.12960005140522637,409,3
OADMET-0001792,C=CC(=O)N1CCC(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)CC1,2.25,3.3574894428253175,0.11302585784659758,4,1
OADMET-0001791,C=CC(=O)N1CCC(C(=O)N2CCC=C(c3cnn(C)c3)C2)CC1,1.91,1.8833041191101074,0.10612054755363781,75,3
OADMET-0001790,C=CC(=O)N1CCC(C(=O)Nc2ccc3c(ccn3CCC)c2)CC1,2.57,3.1832955360412596,0.09865598838902355,4,1
OADMET-0001789,C=CC(=O)N1CC(CC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)C1,1.73,3.176141357421875,0.08130836781764943,1215,2
OADMET-0001788,C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1,4.67,3.7028605461120607,0.13679417837022215,197,2
OADMET-0001787,C=CC(=O)N(C)c1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)O)cc1,3.96,3.401846694946289,0.12006300946178056,200,0
OADMET-0001786,C=CC(=O)NCc1ccccc1CC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1,4.06,3.660812568664551,0.08414719716499099,119,0
OADMET-0001785,C=CC(=O)N1CCC(C(=O)NC2COc3c(F)cc(F)cc3C2)CC1,4.09,3.0645462036132813,0.10384629136421399,207,4
OADMET-0001784,C=CC(=O)N(C)CC(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1,3.37,3.088740921020508,0.04838019537608782,13,4
OADMET-0001783,C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2csc(C(C)OC)n2)cc1,3.99,3.905395746231079,0.13997535923237056,200,0
OADMET-0001782,C=CC(=O)N1CC(C(=O)NCC(C)(O)Cn2cc(Br)cn2)C1,2.35,2.4161327838897706,0.0476249964677361,21,4
OADMET-0001781,C=CC(=O)N(C)CC(=O)NCC(c1ccc(OC(C)C)cc1)N(C)C,2.37,3.96825966835022,0.1886519945875309,117,3
OADMET-0001780,C=CC(=O)N1CCC(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1,2.98,2.660507249832153,0.11406042723644216,4,1
OADMET-0001779,C=CC(=O)NCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21,3.76,3.6286049842834474,0.1519450208767823,74,3
OADMET-0001778,C=CC(=O)N1CCC(C(=O)NCc2nnc(CC)s2)CC1,2.28,1.973397159576416,0.09947695560774947,4,1
OADMET-0001777,C=CC(=O)Nc1ccc(CCC(=O)NCC(C)c2nc(C)cs2)cc1,4.13,3.638714599609375,0.1171530274825654,368,3
OADMET-0001776,C=CC(=O)Nc1cccc(CC(=O)NC2CCSc3c(F)cccc32)c1,3.98,4.722640705108643,0.09916580295516814,73,3
OADMET-0001775,C=CC(=O)N(C)CC(=O)N1CCCC(NC(=O)c2cc3ccccc3o2)C1,3.43,3.904436731338501,0.16051788719544954,46,3
OADMET-0001774,C=CC(=O)Nc1ccc(CC(=O)N2CC3(CCOCC3)CC2C)cc1,4.45,3.644053554534912,0.14319548471187962,435,1
OADMET-0001773,C=CC(=O)N(Cc1cc2c(cc1OC)CC(C)O2)Cc1ccsc1C,5.81,4.729077339172363,0.11513986867581015,1214,3
OADMET-0001772,C=CC(=O)N1CC(CC(=O)NC(C)COc2ccc(C)cc2)C1,2.82,3.3394002437591555,0.07079458305977956,1213,4
OADMET-0001771,C=CC(=O)Nc1ccc(C(=O)NCCOC2(C)CCOCC2)cc1,3.87,2.964539813995361,0.08891096319224706,12,0
OADMET-0001770,C=CC(=O)N1CCCC(C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1,1.94,3.2286118030548097,0.05898160577495179,115,0
OADMET-0001769,C=CC(=O)Nc1ccc(C(=O)N(C)CC2(C)CCCO2)cc1,3.52,3.911404180526733,0.13023265513051957,118,1
OADMET-0001768,C=CC(=O)Nc1ccc(C(=O)N=c2sccn2Cc2ccccc2)cc1,4.19,3.699431562423706,0.13188733209919556,1212,0
OADMET-0001767,C=CC(=O)N1CCC(C(=O)N2CCCc3sc(Br)cc3C2)CC1,5.25,3.418178749084473,0.10206884804800839,75,3
OADMET-0001766,C=CC(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC,4.28,3.2169463634490967,0.21701182131336547,1211,3
OADMET-0001765,C=CC(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1,3.9,3.228164005279541,0.1240894517335012,1210,4
OADMET-0001764,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1,3.76,3.0703702926635743,0.17715135862399023,206,1
OADMET-0001763,C=CC(=O)N1CCC(C(=O)NC2CCN(S(=O)(=O)CCC)CC2)CC1,1.88,2.4688716411590574,0.13298166954155186,21,4
OADMET-0001762,C=CC(=O)NCCC(=O)N1CCc2c(ccc(Br)c2F)C1,4.26,3.944633722305298,0.12884357469228636,8,4
OADMET-0001761,C=CC(=O)NCc1ccc(C(=O)NCC2(C)COc3ccccc3O2)cc1,4.1,3.9493784427642824,0.08093857514530302,12,0
OADMET-0001760,C=CC(=O)N(C)CC(=O)NC(C)(CC)c1nc2c(c(=O)[nH]1)CCCC2,3.47,3.8720993518829347,0.15180720927026747,1209,3
OADMET-0001759,C=CC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1,3.4,2.8341196060180662,0.06274446342517626,45,0
OADMET-0001758,C=CC(=O)NCc1ccc(C(=O)Nc2ncc(C3(O)CCC3)s2)cc1,1.71,3.6599495887756346,0.14652550349284552,12,0
OADMET-0001757,C=CC(=O)Nc1ccc(C(=O)NC(c2ncccn2)C2CC2)cc1,3.25,3.966587448120117,0.12667629642483677,1208,4
OADMET-0001756,C=CC(=O)N1CCC(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)CC1,2.94,2.7819983959198,0.17381027300900367,205,3
OADMET-0001755,C=CC(=O)NCCC(=O)N1CCCC1(C)Cc1ccc(Cl)c(Cl)c1,6.37,5.085554504394532,0.0671325484833446,434,4
OADMET-0001754,C=CC(=O)Nc1cc(NC(=O)C23CCN(C2)S(=O)(=O)C3)ccc1F,3.04,3.625726842880249,0.04014708284724277,45,0
OADMET-0001753,C=CC(=O)NC(C)C1CCN(C(=O)CC2COc3ccccc3O2)CC1,4.63,4.434849739074707,0.10585744310421448,1207,2
OADMET-0001752,C=CC(=O)NC1CCN(Cc2ccc(OC)cc2OC)C1=O,3.33,4.041631507873535,0.10804572049014495,433,0
OADMET-0001751,C=CC(=O)N(CCc1c(C)noc1C)Cc1cc(Cl)cs1,4.62,4.431874084472656,0.10692799140393197,1206,4
OADMET-0001750,C=CC(=O)N1CC(CC(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)C1,3.27,3.4631780624389648,0.12396624880135304,1205,1
OADMET-0001749,C=CC(=O)N(C)CC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1,1.65,2.6242230415344237,0.08339655114749797,412,3
OADMET-0001748,C=CC(=O)NCCc1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1,4.89,4.913411331176758,0.09974640198278577,432,4
OADMET-0001747,C=CC(=O)NCc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1,3.91,2.7865767955780028,0.016227863944437093,429,2
OADMET-0001746,C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1,2.6,2.8494855403900146,0.13580989869812995,8,4
OADMET-0001745,C=CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1,3.87,3.6686971187591553,0.1815541681306722,204,2
OADMET-0001744,C=CC(=O)NCCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1,2.14,3.174868106842041,0.08667766429386677,8,4
OADMET-0001743,C=CC(=O)N(C)CC(=O)N1CCOC(c2ccc(Cl)s2)C1,4.11,3.3940193176269533,0.08264470830065983,13,4
OADMET-0001742,C=CC(=O)N(CC)CC(=O)NCC(C)(C)C1(O)CCCOC1,2.94,2.5771260261535645,0.14922272579003035,1204,2
OADMET-0001741,C=CC(=O)N(CC)CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1,2.45,2.549504280090332,0.07907811674864225,116,2
OADMET-0001740,C=CC(=O)N1CCC(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1,2.82,2.8054112434387206,0.09367507419055157,21,4
OADMET-0001739,C=CC(=O)N(C)CC(=O)N1CCN(c2cccc(Br)c2)CC1,3.59,2.9052804946899413,0.057990856694579186,13,4
OADMET-0001738,C=CC(=O)N(C)CC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1,5.09,4.069863557815552,0.11413775632940647,1203,1
OADMET-0001737,C=CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1,3.99,4.442286968231201,0.1721550875387832,116,2
OADMET-0001736,C=CC(=O)NCc1ccc(C(=O)N2COC[C@@]3(COC[C@@H]4CCCN43)C2)cc1,3.05,3.1430678844451903,0.18341430606160966,12,0
OADMET-0001735,C=CC(=O)N(Cc1cnn(CC)c1)Cc1ccc(C2CC2C)o1,4.27,4.455417060852051,0.12957824566151857,178,3
OADMET-0001734,C=CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1,4.53,4.260790061950684,0.1814925384158714,73,3
OADMET-0001733,C=CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1,3.44,3.4766833782196045,0.12758730727273498,12,0
OADMET-0001732,C=CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(F)c(Br)c3)C2)cc1,4.38,4.212870311737061,0.11537834495361406,1202,0
OADMET-0001731,C=CC(=O)N(C)CC(=O)NC(C)c1ccc(-c2nn[nH]n2)cc1,2.75,3.318980264663696,0.1398139443185176,431,3
OADMET-0001730,C=CC(=O)N(C)c1ccc(C(=O)N2CCN(c3cccc(F)c3F)CC2)cc1,3.26,3.7027000427246093,0.13673859661031126,24,3
OADMET-0001729,C=CC(=O)Nc1ccc(CCC(=O)N2CCS(=O)C(C)(C)CC2)cc1,3.67,2.8788835048675536,0.22970756263640477,1201,3
OADMET-0001727,C=CC(=O)N(CC)CC(=O)N1CCN(C2CCCOC2)CC1,2.54,2.1036478996276857,0.08429961536073782,116,2
OADMET-0001726,C=CC(=O)N1CCC(C(=O)N2CCCC2Cn2cnc3ccccc32)CC1,3.35,3.4356163501739503,0.1271143845272333,72,1
OADMET-0001725,C=CC(=O)N(Cc1cc(C(N)=O)cs1)C[C@H]1CCO[C@@H]1c1cnn(C)c1,2.55,3.3323573589324953,0.12096497290087473,1200,1
OADMET-0001724,C=CC(=O)N(Cc1cnn(C)c1C)CC1(c2cccc(F)c2)CCOCC1,4.6,4.4159948348999025,0.07095274397846371,1199,0
OADMET-0001723,C=CC(=O)N(Cc1cnc(C(C)(C)C)nc1)c1ccc(NC(=O)CC)cc1,4.07,3.1857980251312257,0.05366932477573417,1198,2
OADMET-0001722,C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cc3sc(=O)n(C)c3cc2C)c1,3.87,3.275043773651123,0.16534692014510657,1197,1
OADMET-0001721,C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1,3.91,2.856133460998535,0.10483515809151867,203,4
OADMET-0001720,C=CC(=O)NCCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1,3.44,3.514466142654419,0.1468623827117194,8,4
OADMET-0001719,C=CC(=O)NCCC(=O)N1C[C@H](CO)[C@@H](c2cnn(C)c2)C1,1.67,2.403725242614746,0.1129131093680485,202,1
OADMET-0001718,C=CC(=O)Nc1ccccc1CC(=O)N1CCCC1C(=O)N(C)C,4.08,4.269137954711914,0.12993168178343145,430,2
OADMET-0001717,C=CC(=O)NCc1ccc(C(=O)N2CCN(C3=NCCS3)CC2)cc1,3.36,2.0175384283065796,0.10753295660480715,8,4
OADMET-0001716,C=CC(=O)N1CCCC1C(=O)NCc1noc2c1CC(C)CC2,4.04,4.31901216506958,0.0765252237780179,1196,0
OADMET-0001715,C=CC(=O)NCc1ccc(C(=O)NCCc2cnc3ccccc3c2)cc1,3.41,3.6221605777740478,0.10104428107635184,201,0
OADMET-0001714,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1,1.72,3.5441051959991454,0.15266736748656975,206,1
OADMET-0001713,C=CC(=O)NCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1,3.49,2.8805433750152587,0.09600225139804015,429,2
OADMET-0001712,C=CC(=O)N(C)c1ccc(C(=O)N(C)c2nnc(C)s2)cc1,2.66,2.659976005554199,0.0722953656779467,200,0
OADMET-0001711,C=CC(=O)N(C)CC(=O)N1CCN(Cc2cc3c(s2)CCCC3)CC1,1.62,2.5665305614471436,0.03526931043442238,13,4
OADMET-0001710,C=CC(=O)NCCc1noc(COc2ccc(Cl)cc2)n1,4.45,3.1612051486968995,0.13660500236456546,1195,2
OADMET-0001709,C=CC(=O)N(CC)CC(=O)N1CCCC1c1nc(-c2ccccc2Cl)c[nH]1,4.56,4.399623775482178,0.060465021220146326,428,1
OADMET-0001708,C=CC(=O)N1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,2.43,2.5982385635375977,0.13149724511888597,72,1
OADMET-0001707,C=CC(=O)NCCC(=O)N1CCC(O)(c2scnc2Br)CC1,2.81,2.705914831161499,0.07785295589953072,8,4
OADMET-0001695,CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccsc1C=O,4.44,3.944921588897705,0.06781846143302622,1194,1
OADMET-0001694,O=Cc1c(-c2ccc(Br)s2)nc2ccccn12,3.67,4.18126163482666,0.11704181508083525,1193,3
OADMET-0001693,CCSc1nnc(SCc2cc(C=O)ccc2OC)s1,4.52,4.1646599769592285,0.062084795677952914,407,1
OADMET-0001692,O=Cc1c(O)ccc2cc(OP(=O)(O)O)ccc12,1.89,2.112640905380249,0.15876830800185565,1192,1
OADMET-0001691,CNC(=O)C(NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1,3.47,3.5644257068634033,0.12952244581247693,427,1
OADMET-0001690,O=Cc1ccc(C(=O)NCc2noc(-c3ccc(Cl)cc3F)n2)[nH]1,3.91,3.4984143733978272,0.017630653103778923,1191,4
OADMET-0001689,O=Cc1ccc2cc(Cl)cc(Br)c2n1,3.28,4.47582311630249,0.09482690780701444,1190,1
OADMET-0001688,COC(=O)c1[nH]c2ccc(Br)cc2c1C=O,3.48,3.7508773803710938,0.05859464563443337,1189,4
OADMET-0001687,Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=O,4.18,3.7417922973632813,0.164689284305921,193,1
OADMET-0001686,O=Cc1ccc(-c2ncccc2OCCc2ccccn2)cc1,4.5,3.517218589782715,0.03716394490014503,1188,4
OADMET-0001685,O=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1,2.27,2.8625436782836915,0.11177900517511362,1187,2
OADMET-0001684,COc1ccc(C(C)=O)cc1COc1c(C)cc(C=O)cc1C,3.91,3.9675283908843992,0.12471223946399376,1186,1
OADMET-0001683,O=Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)[nH]1,4.58,5.035922718048096,0.05321883322201157,1185,4
OADMET-0001682,Cc1c(C=O)c2ccccn2c1CCc1ccncc1,4.63,3.6096776485443116,0.13558392260982297,1184,0
OADMET-0001681,CC1CCN(c2ccc(F)cc2F)CCN1c1ncc(C=O)cn1,4.09,4.275644302368164,0.13499589085044617,404,3
OADMET-0001680,Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C=O,4.31,4.277662372589111,0.09959472828191222,193,1
OADMET-0001679,Cc1cccc(C)c1NC(=O)C(CC(C)C)n1cccc1C=O,5.43,4.715562152862549,0.10955483326543,1183,3
OADMET-0001678,O=Cc1ccc(Oc2ccc(Br)cc2)nc1,2.37,2.5621144771575928,0.13146520315314983,1182,2
OADMET-0001677,NC(=O)C1CCCN1c1nc2ccccn2c1C=O,2.97,2.790312957763672,0.06015989912658535,1181,4
OADMET-0001676,O=Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,3.94,4.31862735748291,0.0726073192443071,11,3
OADMET-0001675,Cc1ccccc1-n1cc(-c2c[nH]c(C=O)c2)nn1,3.46,4.01004958152771,0.07197634724551899,1180,2
OADMET-0001674,C=CC(=O)N(Cc1cc(CC)no1)Cc1sncc1Br,3.81,3.870630073547363,0.10808284326180126,1179,3
OADMET-0001673,C=CC(=O)NCCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21,2.73,4.038505983352661,0.20027884916653613,1178,3
OADMET-0001672,C=CC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)CC(C)S(C)=O,3.35,3.518781328201294,0.08883942263976266,1177,2
OADMET-0001671,C=CC(=O)N1CCN(C(=O)c2csc(N=S(C)(=O)N(C)C)n2)[C@@H](C)C1,3.66,2.7351529121398928,0.15254516424493084,44,1
OADMET-0001670,C=CC(=O)NC[C@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@@H]1OCC,4.5,4.152189588546753,0.13071716093045227,1176,1
OADMET-0001669,C=CC(=O)N1CC(C(=O)NC(CC)CC)Oc2ccccc21,3.72,4.0559204578399655,0.1576519851442914,426,2
OADMET-0001668,C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cnc(C3CCCO3)s2)C1,3.49,4.380226039886475,0.14842423701937196,422,3
OADMET-0001667,C=CC(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1,4.56,3.8646222591400146,0.08450006991111969,1175,2
OADMET-0001666,C=CC(=O)N1CCC(C(=O)NC(CCO)c2cccs2)CC1,1.76,2.5791497230529785,0.08062519390714729,199,4
OADMET-0001665,C=CC(=O)NCCC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1,2.36,2.190746212005615,0.05812489914304936,1174,3
OADMET-0001664,C=CC(=O)N1CCN(C(=O)C2CCCN(c3nc(C)cs3)C2)[C@@H](C)C1,3.43,2.6987549304962157,0.13577864393988823,44,1
OADMET-0001663,C=CC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)[C@@H](C)C1,1.89,2.8538652896881103,0.10529448750889435,44,1
OADMET-0001662,C=CC(=O)N(C)CC(=O)Nc1nn(-c2ncccc2F)cc1C,3.14,3.2530073642730715,0.1789923359001026,1173,1
OADMET-0001661,C=CC(=O)Nc1cccc(CC(=O)N2CCC(O)(c3ccc(F)c(F)c3)CC2)c1,4.26,4.426271152496338,0.11983203911035048,73,3
OADMET-0001660,C=CC(=O)NCC1(NC(=O)c2cccc(CNC(C)=O)c2)CCCCC1,3.33,4.428306770324707,0.08002020251564047,1172,3
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OADMET-0001658,C=CC(=O)Nc1ccc(CC(=O)N2CCn3c(n[nH]c(=O)c3=O)C2)cc1,2.2,2.225126552581787,0.044658249733206375,1171,0
OADMET-0001657,C=CC(=O)N1CCCC(C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)C1,1.66,3.4601531505584715,0.061861808160480855,425,0
OADMET-0001656,C=CC(=O)N1CCC(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)CC1,2.5,2.752072286605835,0.0937123396696898,424,4
OADMET-0001655,C=CC(=O)NCCC(=O)N1CCCC(c2nc3c(s2)CCC3)C1,4.11,4.576630592346191,0.11457979649365031,423,3
OADMET-0001654,C=CC(=O)NCc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1,3.66,3.4781432151794434,0.06934947939519666,1170,4
OADMET-0001653,C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1,1.88,4.443825054168701,0.15234984256973938,422,3
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OADMET-0001650,C=CC(=O)N1CCC(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1,2.86,3.636954641342163,0.09806164217335092,4,1
OADMET-0001649,C=CC(=O)NC(Cc1ccccc1)c1nc(-c2ccncc2)no1,3.95,3.634309720993042,0.11066387699053999,415,1
OADMET-0001648,C=CC(=O)N(C)CC(=O)N1CCC2(CC1)Cc1cc(OC)ccc1C2=O,2.64,3.4477593421936037,0.051931646859605274,13,4
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OADMET-0001646,C=CC(=O)N(CC1=CCCCC1)Cc1cc(-c2ccc(Cl)cc2)on1,4.22,4.857975196838379,0.13207894725375205,1167,3
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OADMET-0001643,C=CC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl,4.1,3.3806304931640625,0.18866100608580905,1166,2
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OADMET-0001633,C=CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1OC(C)C,4.18,4.39946231842041,0.16662281875120175,117,3
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OADMET-0001612,C=CC(=O)N(C)CC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1,3.53,2.9697460174560546,0.10015103651044467,13,4
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OADMET-0001601,C=CC(=O)N[C@H]1CN(C(=O)Cc2noc3ccc(F)cc23)C[C@@H]1C1CC1,3.52,3.931270456314087,0.11348418123292653,1154,2
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OADMET-0001549,O=Cc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1,2.58,3.345018768310547,0.12923458249059744,379,4
OADMET-0001548,O=Cc1sc(N2CCCCC2)nc1-c1cccs1,4.7,4.8845312118530275,0.09753879358147416,1135,2
OADMET-0001547,Cc1cccn2c(=O)c(C=O)c(Sc3ncccn3)nc12,3.25,4.801410388946533,0.08911986625718096,405,4
OADMET-0001545,Nc1c(C=O)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1,1.69,2.291745328903198,0.16383689247017494,1134,1
OADMET-0001544,O=Cc1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,2.68,2.4683584213256835,0.13812123789190578,1133,2
OADMET-0001543,COc1ccc(C=O)cc1Cn1ncc(Cl)c(Cl)c1=O,4.2,4.025454950332642,0.18061913705555663,407,1
OADMET-0001542,CC1CN(C(=O)c2csc(C=O)c2)CC(C)O1,1.68,2.0638293504714964,0.08860629774043899,1132,3
OADMET-0001540,CCOC(=O)c1cccc2nc(C=O)c([N+](=O)[O-])n12,3.37,2.999738645553589,0.22714715574767447,1131,4
OADMET-0001539,O=Cc1c(Oc2ccc3c(c2)OCO3)nc2ccccn2c1=O,3.34,3.0860122203826905,0.10435987129323875,1130,2
OADMET-0001538,CC(C)c1nn(C(C)(C)C)c(O)c1C=O,4.12,4.731163787841797,0.14031154424263112,1129,1
OADMET-0001537,O=Cc1cc(F)c(OCc2cn(-c3ccc(Cl)cc3)nn2)c(F)c1,3.49,3.8827511787414553,0.16561374058885228,1128,0
OADMET-0001536,Cc1cc(C)n(CC(C)CNC(=O)COc2ccccc2C=O)n1,4.82,4.066858386993408,0.04115149496017845,406,0
OADMET-0001535,O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)o1,4.87,4.738615989685059,0.05838158289993361,1127,4
OADMET-0001533,O=Cc1ccc(CC(=O)NCCCCc2ccc(Cl)s2)[nH]1,5.2,3.508491277694702,0.09547261546362824,1126,3
OADMET-0001532,O=Cc1ccc(OCC(=O)NC2CCCc3ccccc32)cc1,4.67,3.946446943283081,0.09923517015197117,195,2
OADMET-0001531,O=Cc1nn(C2CCCCO2)nc1Br,3.29,3.910421276092529,0.19532697634997584,1125,2
OADMET-0001530,O=Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2)o1,3.87,2.678085374832153,0.08596258003213537,1124,1
OADMET-0001529,Cc1cc(C=O)cc2c1OC1(C=C2)Oc2ccccc2C(=O)N1C,5.1,4.293463230133057,0.1148479893208839,1123,0
OADMET-0001528,Cc1ccccc1Nc1nc(Cl)c(C=O)s1,4.56,3.808621644973755,0.15865184308171762,1122,4
OADMET-0001527,Cc1ccccc1C1CN(c2ccc(C=O)cn2)CCO1,3.79,3.7000543117523192,0.1296248227925493,1121,3
OADMET-0001526,O=Cc1sc(=NS(=O)(=O)c2ccc(F)cc2)n(-c2ccccc2)c1Cl,3.53,5.05922679901123,0.05114159170337362,1120,2
OADMET-0001525,COc1cc(C=O)ccc1OCC(=O)NC1CCCc2ccccc21,4.91,4.547515487670898,0.09585759633401725,195,2
OADMET-0001524,COc1cncc(CNC(=O)CCOc2ccc(C=O)cc2OC)c1,3.01,3.1781189918518065,0.05048890799283175,194,0
OADMET-0001522,O=Cc1ccccc1S(=O)(=O)N1CCCCC1CCn1ccnn1,4.53,4.330566501617431,0.08410798419983971,1119,1
OADMET-0001520,CC1CC(C)CN(CC(C)NC(=O)c2cc(Br)c(C=O)n2C)C1,4.55,4.377898788452148,0.07595842594233224,1118,0
OADMET-0001519,CCC(CC)c1nnc(NC(=O)c2cc(C=O)[nH]c2C)s1,3.81,3.694776010513306,0.15581736304108607,1117,3
OADMET-0001518,O=Cc1cc(Cl)cnc1Sc1ccncn1,3.66,2.6034892082214354,0.1946098372781899,1116,4
OADMET-0001517,Cn1cc(C=O)cc1C(=O)NC(Cn1ccnc1)c1ccccc1,3.1,3.937663698196411,0.11289468366618889,1115,2
OADMET-0001516,Cc1ccc2cc(C=O)c(N3CCCCC3)nc2c1,4.79,4.851890277862549,0.09045182173734923,1114,1
OADMET-0001514,CCOC(=O)c1c(Nc2ccccc2)sc(C=O)c1Cl,4.53,4.6981048583984375,0.08095000531859216,1113,0
OADMET-0001513,Cc1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=O,4.98,5.161289978027344,0.15021854803059612,193,1
OADMET-0001512,CC1(Cn2cc(-c3cncc(C=O)c3)nn2)COC1,1.82,3.2607441902160645,0.10933013203019581,1112,4
OADMET-0001511,CN(C(=O)c1cc(C=O)ccc1F)C(c1ccccc1)c1nnc[nH]1,3.62,3.4454298973083497,0.07772486362973903,1111,3
OADMET-0001510,COc1ccc2nc(O)c(C=O)cc2c1,1.67,2.4210941314697267,0.09800828583425439,1110,2
OADMET-0001509,O=Cc1csc(COc2ccc(Cl)cc2)n1,2.86,3.4848477840423584,0.1278746175166771,1109,1
OADMET-0001508,O=Cc1ccccc1OCCOc1ccc(Cl)c2cccnc12,4.58,4.449913883209229,0.043853784982903654,1108,0
OADMET-0001507,Cc1cc(C=O)c(C)n1-c1ccc(F)c(F)c1F,4.61,4.302478313446045,0.14959176873528285,1107,4
OADMET-0001506,COc1cc(C=O)ccc1OCc1ncc(C)c(OC)c1C,4.47,3.9160425662994385,0.08014522446150409,194,0
OADMET-0001505,Cc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12,3.86,4.084747266769409,0.06787121180682594,405,4
OADMET-0001504,O=Cc1nc2ccccc2n1Cc1ccc2ccccc2c1,5.16,4.446272945404052,0.10862420741122668,1106,3
OADMET-0001503,O=Cc1ccc(OCCCCN2CCCCC2)cc1,3.52,2.148283815383911,0.11074791884028812,1105,2
OADMET-0001502,Cc1cccc2cc(C=O)c(Oc3ccc(F)cc3)nc12,4.57,4.505442810058594,0.16023220529754115,1104,1
OADMET-0001501,CC(C)(C)c1cnnn1-c1ccc(C=Cc2ccc(C=O)cc2)cc1,3.91,4.243531513214111,0.13502704973984747,1103,0
OADMET-0001500,O=Cc1cnc(N2CC3(CCC3)C2c2ccc(F)cc2)nc1,4.41,4.801588630676269,0.11310272064373733,404,3
OADMET-0001499,COc1ccc(OCC(=O)NCc2cccs2)c(C=O)c1,3.88,3.16420431137085,0.06502255940748834,403,4
OADMET-0001498,CC1(Cc2ccc(Cl)s2)CCCN1C(=O)c1cncc(C=O)c1,5.51,5.111227893829346,0.11885297578886746,1102,1
OADMET-0001497,O=Cc1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1,4.95,4.752234268188476,0.08989498692350828,1101,4
OADMET-0001496,O=Cc1ccc(N2CCN(c3ncnc4[nH]ncc34)CC2)s1,1.85,2.0410167455673216,0.0856249404421375,261,0
OADMET-0001495,CC1(Cc2ccccc2)CCCN1c1ncc(C=O)cn1,5.09,4.956497573852539,0.11003272067412212,1100,1
OADMET-0001494,Cc1noc2ncc(NC(=O)c3ccc(N(C)C)c(C=O)c3)cc12,2.26,4.080288314819336,0.05097686426546243,402,2
OADMET-0001493,Cc1cc(C(=O)N2CC(n3cncn3)C2)cc(C=O)c1O,2.33,3.00529408454895,0.2756170496317117,1099,3
OADMET-0001492,CCOc1ccc2nc(N3CCCC(C(=O)Nc4cccc(C(C)=O)c4)C3)sc2c1,4.19,4.595569801330567,0.08114923079782335,401,0
OADMET-0001491,COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1OC,5.18,4.813553142547607,0.052673622002093155,26,0
OADMET-0001490,COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)sc4n3)c2)c1,5.3,4.371409511566162,0.045173214003111396,1098,0
OADMET-0001489,Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1,4.09,4.604869651794433,0.13957725361802067,1097,4
OADMET-0001488,Cn1cccc1Cc1nnc(SCC(=O)N2CCCCC2)n1CCc1ccccc1,5.22,5.250891304016113,0.12289143268734595,1096,3
OADMET-0001487,COc1ccc(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1,3.76,5.4250093460083,0.1313240410367651,1095,2
OADMET-0001486,Clc1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1,5.08,5.278628730773926,0.15051855174055434,1094,1
OADMET-0001485,CCOc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1,5.78,5.322481918334961,0.1012695037729268,1093,0
OADMET-0001484,COc1ccc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1,2.44,3.41904764175415,0.08022592945961342,1092,4
OADMET-0001482,Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCN(c3ccccc3)CC2)cc1C,5.67,5.4824981689453125,0.09516608651472495,1091,3
OADMET-0001481,CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(C)cc(C)c3)no2)cc1,4.41,5.176575469970703,0.07798052132862617,1090,2
OADMET-0001480,O=C(Nc1ccc(Cl)cc1)c1csc2c1CCCCC2,4.83,5.169335460662841,0.12279696915533733,1089,1
OADMET-0001479,Cc1cc2cc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)c(=O)[nH]c2cc1C,4.61,4.549804019927978,0.05548609798924129,1088,0
OADMET-0001478,CCOc1ccc(CC(=O)N2CCC(CCOC)(NC(=O)Nc3cccc(C)c3)C2)cc1,5.04,4.496097183227539,0.11921274545977859,400,1
OADMET-0001477,O=C(C1CCC1)N(Cc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1,5.33,5.506116580963135,0.077202535539321,1087,4
OADMET-0001476,COCCC1(NC(=O)c2ccc(F)cc2)CCN(C(=O)COc2cccc(C)c2)C1,4.38,4.711576175689697,0.1120498083376373,400,1
OADMET-0001474,CCn1nc(C)c(CN2CCc3c(c(CCC(=O)N4CCCC4)nn3C)C2)c1C,2.86,4.459551239013672,0.10924769387564133,43,4
OADMET-0001473,CCn1cc(C(=O)N2CCCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)cn1,2.52,3.855573558807373,0.048037454775830365,43,4
OADMET-0001472,COc1cccc(NC(=O)N2CCCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)c1,3.57,4.2292193412780765,0.041763311638028516,43,4
OADMET-0001471,CCOCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1,1.73,3.701060152053833,0.1370219763205299,1086,3
OADMET-0001470,CCCn1c(C)cnc1C1CCN(S(=O)(=O)c2cccc3cccnc23)C1,6.43,5.310136699676514,0.11401645867692813,42,2
OADMET-0001469,CCOC(=O)c1ccc(CNC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cc1,4.34,4.750295829772949,0.11740631244249808,1085,2
OADMET-0001468,CCC(C)C(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)CS2(=O)=O,4.01,4.980278396606446,0.11571775389731248,1084,1
OADMET-0001467,CC(C)C(=O)N(CCCN1CCCC1)C1CCCN(C(=O)COc2ccc(F)cc2)C1,3.87,4.356726264953613,0.055131658939188186,43,4
OADMET-0001466,CCn1nc(C)c(CN2CCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)c1C,3.16,3.5351213932037355,0.08133600549178208,43,4
OADMET-0001465,Cc1noc(C)c1S(=O)(=O)N1CCC(N(CCCN2CCCC2)C(=O)C(C)C)C1,4.41,4.311237621307373,0.10266413571339712,43,4
OADMET-0001464,Cc1ccc(C(=O)N2CCC(N3C(=O)CCC3C(=O)NCc3ccccc3)CC2)s1,4.45,3.858237600326538,0.16198465541838325,1083,0
OADMET-0001463,CC(=O)N(CCc1noc(C2CCC2)n1)C1CCN(C(=O)CN2CCCCCC2)C1,3.21,4.207070541381836,0.030745688534931905,192,2
OADMET-0001462,CC(=O)N(CCc1noc(C2CCC2)n1)C1CCN(C(=O)CCCc2ccccc2)C1,5.16,4.797267723083496,0.07959314804224303,192,2
OADMET-0001461,CCC(CC)C(=O)N1CCC(N(CCc2noc(C3CCC3)n2)C(C)=O)C1,5.18,4.910161399841309,0.11564791046437735,192,2
OADMET-0001460,O=C(NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1)c1ccc2[nH]cnc2c1,2.48,3.240476369857788,0.08421122758356098,70,0
OADMET-0001459,Cc1ncoc1C(=O)NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1,3.69,3.474105405807495,0.08317251305606563,70,0
OADMET-0001458,Cn1cnc(C(=O)NCCN(C2CCOCC2)C2CCCN(C(=O)C3CC3)C2)c1,3.0,3.101196765899658,0.06229893791686127,70,0
OADMET-0001457,Cn1cnc(S(=O)(=O)NCCN(C2CCOCC2)C2CCCN(C(=O)C3CC3)C2)c1,2.9,3.880415439605713,0.09693719107330175,70,0
OADMET-0001456,CC(C)NC(=O)NCCN(C1CCOCC1)C1CCN(S(C)(=O)=O)CC1,3.16,2.9228519439697265,0.08500351943427466,1082,4
OADMET-0001454,COCCC1(C(N)=O)CCCN(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C1,2.3,3.1584332942962647,0.07626529159606671,396,4
OADMET-0001453,COc1ccc(C2(C(=O)NCC3CN(CC(C)C)C(=O)CO3)CCCCC2)cc1,5.52,4.7189380645751955,0.0946381615728302,114,0
OADMET-0001452,CC(C)CN1CC(CNC(=O)c2nccc3ccccc23)OCC1=O,5.06,4.49444351196289,0.09877426723758272,114,0
OADMET-0001451,CC(C)CN1CC(CNC(=O)CCCc2c[nH]c3ccccc23)OCC1=O,5.04,4.1445409774780275,0.06199951673435919,114,0
OADMET-0001450,O=C(c1ccccn1)N1CCCC1CCc1noc(C2CC2)n1,3.66,4.735588932037354,0.05631333812658223,109,1
OADMET-0001449,O=C(c1cncc(Br)c1)N1CCCC1CCc1noc(-c2cccnc2)n1,5.2,4.568916511535645,0.12184324150040125,399,3
OADMET-0001448,CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1,4.54,3.6681548595428466,0.23964350341768223,191,3
OADMET-0001447,O=C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CCCCCCN1,4.65,3.8307807445526123,0.1845732229382017,191,3
OADMET-0001446,Cn1ccnc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1,2.51,2.9868195056915283,0.26909077518128716,191,3
OADMET-0001445,CCN1[C@@H]2CCCC[C@@]2(C(=O)NCCCN2CCCC2=O)CCS1(=O)=O,4.36,4.4229207038879395,0.23377841646474845,1081,3
OADMET-0001444,CO[C@H]1CN(C2CCN(C(=O)COCc3ccccc3)CC2)[C@H]1c1cccnc1,4.56,3.581685495376587,0.20723936149185876,398,3
OADMET-0001442,CCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCOCCNC(=O)CC1,3.69,3.5131225109100344,0.1653988631194854,1080,2
OADMET-0001441,Cc1cccc(OCCc2noc(C3CN(C(=O)c4ccsc4)C3)n2)c1,5.05,4.736011695861817,0.12046825003460362,113,3
OADMET-0001440,COc1ccc(C(=O)N2CC(c3nc(CCOCC4CC4)no3)C2)cc1,4.59,4.218495798110962,0.15327455916028943,113,3
OADMET-0001439,Cc1ccccc1S(=O)(=O)N1CC(c2nc(CCN(C)C(=O)C3CCOCC3)no2)C1,5.33,4.758559131622315,0.06156441606132815,1079,1
OADMET-0001438,CCn1cc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)ccc1=O,1.67,2.6586209297180177,0.09162468035629032,190,4
OADMET-0001437,Cc1noc(C)c1CNC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2,4.53,4.3460618019104,0.0842727158772858,1078,0
OADMET-0001436,CCOCCCNC(=O)CN1C(=O)C(Oc2ccc(F)cc2)C12CCCCC2,5.35,4.501489925384521,0.06918337283243972,1077,4
OADMET-0001435,O=C(c1ccncc1)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccncc2)CC1,3.09,3.381902503967285,0.08988038728381059,1076,3
OADMET-0001434,OCC1CN(c2ncccn2)CC12CCN(Cc1cccc3[nH]ccc13)CC2,2.86,3.495591926574707,0.10504221622256707,1075,2
OADMET-0001433,CNC(=O)c1cc[nH]c1C1CCCN(C(=O)CN2CCCC2=O)C1,2.36,4.1914873123168945,0.10095960824219329,1074,1
OADMET-0001432,Oc1ccc(CN2CCCCC2c2nc(CCOCC3CC3)no2)cc1,4.61,4.32001142501831,0.17356110112704493,113,3
OADMET-0001431,CCCNC(=O)N1CCC2(CC1)N(C1CCCC1)C(=O)CS2=O,3.64,3.9581594944000242,0.1565612120382408,1073,0
OADMET-0001430,CCC(C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1,4.92,4.69738883972168,0.09839199238633349,1072,4
OADMET-0001429,COc1ccc(NC(=O)N2CCn3nnc(CCC(=O)N4CCCC4)c3C2)cc1,3.34,3.6666397571563722,0.23315656740762888,1071,3
OADMET-0001427,CCOCCCNC(=O)N1CCC(Cc2nnc(-c3ccccc3)[nH]2)CC1,4.79,4.013486433029175,0.0741332486731739,189,2
OADMET-0001426,CN1C(=O)c2cccn2CC1CNC(=O)CCc1c[nH]c2ccccc12,4.87,3.7958131790161134,0.07667525738707628,114,0
OADMET-0001425,CCC(=O)N1CCC(Oc2ccccc2-c2nc(C3CC3)no2)C1,5.15,4.407560539245606,0.08610421776137114,397,4
OADMET-0001424,CCOC(=O)c1ccc(NC(=O)CC2CCCCN(C)C2=O)cc1,4.98,4.238607788085938,0.12131988015019668,1070,2
OADMET-0001423,COCCNC(=O)CN1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1,1.88,3.0186649322509767,0.10507515167060368,1069,1
OADMET-0001422,O=C(CCc1c[nH]c2ccccc12)N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1,4.77,4.259684944152832,0.13095531780658848,14,1
OADMET-0001420,CCOc1ccc(CN2C[C@@H]3C(=O)N(CCN4CCc5ccccc5C4)C(=O)[C@@H]3C2)cc1,5.19,3.522285223007202,0.13733763535114613,1068,2
OADMET-0001419,N#Cc1ccc(CN2CCc3nc(N4CCc5ccccc5C4)[nH]c(=O)c3CC2)cc1,3.61,3.7570467948913575,0.19546376082945263,1067,3
OADMET-0001418,CN(Cc1cccnc1)c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(F)c(Cl)c1)CC2,4.24,3.4612566471099853,0.09402687802549053,376,2
OADMET-0001417,COc1ccc(CC(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@@H](CO)C2)cc1,3.38,4.012741184234619,0.22976760353535014,183,3
OADMET-0001416,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2nnc3n2CCCC3)cc1,4.71,4.593044281005859,0.10261235839867361,1066,4
OADMET-0001415,COc1ccc(-c2nc(CC3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)no2)cc1,3.83,4.596833038330078,0.06197482048361263,1065,2
OADMET-0001414,Cn1nc(C2CCCN(C(=O)C3CCC3)C2)n(C2CCCC2)c1=O,4.86,4.647269058227539,0.14662609965975795,1064,1
OADMET-0001413,O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2nncn2Cc2ccccc2)C1,3.4,4.159693241119385,0.08651847479661431,190,4
OADMET-0001412,O=C(c1ccc2cc[nH]c2c1)N1CCC(Cc2nncn2Cc2ccccc2)C1,4.11,4.372998905181885,0.0589940449584254,190,4
OADMET-0001410,CCn1cc(S(=O)(=O)NC[C@@]23CCC[C@H]2N(CCOC)C(=O)CC3)cn1,4.8,4.497360324859619,0.10583376812135507,42,2
OADMET-0001409,CCCN1C(=O)CC[C@]2(CNC(=O)c3noc(C)c3COC)CCC[C@@H]12,4.1,4.771099281311035,0.15098795585271066,42,2
OADMET-0001408,CCCN1C(=O)CC[C@]2(CNC(=O)c3cc(C4CC4)[nH]n3)CCC[C@@H]12,5.27,5.050249767303467,0.13150450057671015,42,2
OADMET-0001407,O=C(Nc1ccccc1)c1ccc(N2CCC(NCc3ccc(O)cc3)C2)nc1,3.2,3.388445234298706,0.08195184867580546,1063,0
OADMET-0001406,CCCN1C(=O)CC[C@]2(CNS(=O)(=O)c3cccc4cccnc34)CCC[C@@H]12,5.86,5.6521093368530275,0.1367896410401139,42,2
OADMET-0001405,CCCN1C(=O)CC[C@]2(CNC(=O)c3n[nH]c4ccccc34)CCC[C@@H]12,5.8,4.950993633270263,0.11698743183278137,42,2
OADMET-0001404,CCOCCCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1,4.09,3.1787201881408693,0.10680663960239554,189,2
OADMET-0001403,O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2cccc(Cl)c2)CC1,4.05,4.1182780265808105,0.10781457159513594,394,3
OADMET-0001402,CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1,4.39,4.398636436462402,0.10459170889195926,1062,4
OADMET-0001401,CCNc1cc(N2CCCC(CCC(=O)N3CCN(C(=O)OCC)CC3)C2)ncn1,3.49,3.216137981414795,0.173429626742699,1061,3
OADMET-0001400,CCCN(C)c1nccnc1OC1CCN(C(=O)C(C)C)C1,4.99,4.604364967346191,0.135652768728345,1060,2
OADMET-0001399,COc1ccccc1CCC(=O)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1,5.01,5.400434684753418,0.10344823513173039,1059,1
OADMET-0001398,Cc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)cc1,1.66,3.917183780670166,0.0627310213674385,1058,0
OADMET-0001397,CNc1ccc(OC2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc1,4.38,3.6563504695892335,0.11768365922100563,396,4
OADMET-0001396,Cc1ccc(CN2CC(C(=O)N3CCCn4nc(-c5ccccc5)cc4C3)CC2=O)cc1,5.48,4.37902135848999,0.10806309568567267,395,3
OADMET-0001395,Cc1ccc(S(=O)(=O)NC(C(=O)NCc2n[nH]c3ccccc23)C(C)C)cc1,5.48,5.1265276908874515,0.05464209592039119,1057,4
OADMET-0001394,CC(NC(=O)Cc1c(F)cccc1Cl)C(=O)N1CCN(c2ccccn2)CC1,4.74,4.0378659725189205,0.11389163736397155,219,2
OADMET-0001393,CCC(=O)Nc1ccc(C)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O,3.04,4.134055519104004,0.14194588265937425,394,3
OADMET-0001392,Cc1cccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn34)cc2)c1,2.85,4.5126289367675785,0.14700545938133408,1056,3
OADMET-0001391,CCOc1cc(=O)c(C(=O)N2CCN(CC(C)C)CC2)nn1-c1ccc(C)cc1,4.33,3.830133390426636,0.07308096581420435,1055,2
OADMET-0001390,CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3ccc4oc(C)nc4c3)C2)cc1,1.75,2.448630666732788,0.05779638804156357,393,2
OADMET-0001388,O=C(CCc1nc2ccccc2s1)NC1CCN(C(=O)N2C[C@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)CC1,6.14,4.4546229362487795,0.17951045492895573,1054,1
OADMET-0001387,CC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(F)cc4F)CC3=O)ccc21,1.63,4.235875988006592,0.06468644879612843,128,0
OADMET-0001385,CCC(=O)NCc1csc(C2CCCN(C(=O)c3ccccc3OC)C2)n1,4.75,4.699761772155762,0.07531813364880582,188,0
OADMET-0001384,CCOC(=O)N1CCN(C(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)CC1,1.71,3.5881994724273683,0.09642364079841945,1053,0
OADMET-0001383,CS(=O)(=O)N(Cc1ccccn1)C1CN(C(=O)CCc2c[nH]c3ccccc23)C1,3.93,4.173550605773926,0.08625215878122963,392,1
OADMET-0001382,O=C(C1CCCCC1)N1CC(N(Cc2ccccn2)C(=O)Nc2ccccc2)C1,4.76,4.510389995574951,0.13441050447105113,391,0
OADMET-0001381,CCN(Cc1ccncc1)C1CN(C(=O)c2ccn(CC)n2)C1,4.44,3.1394863605499266,0.30338257716908607,187,3
OADMET-0001380,CCN(Cc1ccncc1)C1CN(C(=O)CC2CCN(C(C)=O)CC2)C1,2.42,2.7324954986572267,0.2061236113024955,187,3
OADMET-0001379,CCn1nccc1C(=O)N1CC(N(Cc2ccncc2)CC(C)C)C1,4.88,3.5893040180206297,0.20501410245731785,187,3
OADMET-0001377,C=CCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)C1,3.19,3.542470359802246,0.11563608545301853,1052,3
OADMET-0001376,CCC(=O)NCCc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1,3.92,3.600223684310913,0.12550258703368197,188,0
OADMET-0001375,Cc1nnc2c(=O)n(CC(=O)NC3CCCC3)c3cccnc3n12,3.39,4.09885950088501,0.04529050832617418,1051,4
OADMET-0001374,O=C(Cn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1cccc(Cl)c1,5.25,5.313535499572754,0.08513995584884614,1050,2
OADMET-0001373,CCCCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,4.38,4.660444068908691,0.03940662089598464,1049,1
OADMET-0001372,O=C(c1ccc2c(c1)CN(C(=O)c1ccc3ncccc3c1)CCO2)N1CCCC1,3.41,3.864078712463379,0.04738674459078979,1048,0
OADMET-0001371,CC(CNC(=O)CCn1c(N2CCCCC2)nc2ccsc2c1=O)c1ccccc1,5.14,5.448161697387695,0.0721109048707598,1047,4
OADMET-0001370,CC(C)n1c(=O)n(CC(=O)NCCCc2ccccc2)c2cc(S(=O)(=O)N3CCCC3)ccc21,5.26,4.782983303070068,0.1294550846201105,1046,3
OADMET-0001369,CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(OC)cc1)C(C(=O)N(C)C)C2,4.26,4.3890259742736815,0.07644513312335922,1045,2
OADMET-0001368,Cc1cccc(-c2noc(C3CCCN3C(=O)C(C)NC(=O)c3ccccc3)n2)c1,5.6,4.9961145401000975,0.09035647758743905,390,0
OADMET-0001367,COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)no2)c1,5.43,5.26673583984375,0.10562208945094242,1044,1
OADMET-0001366,Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(CC(=O)N2CCCC2)CS3)c(C)c1,5.2,4.842148971557617,0.07872357333600792,1043,0
OADMET-0001365,CCOC(=O)c1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)c1,4.8,4.579192638397217,0.07114972312829708,1042,4
OADMET-0001364,Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCc4ccccc4)n3)c2c1,5.09,4.347743988037109,0.0964067359284117,1041,3
OADMET-0001363,COCc1nc(CNC(=O)CSc2nc3cc(C)ccc3[nH]2)no1,3.57,3.4020294189453124,0.11053150052775124,389,4
OADMET-0001362,CCCn1cc(NC(=O)NC(C)c2ccc(-n3cncn3)cc2)nn1,3.53,3.6336487770080566,0.09464122795040165,1040,2
OADMET-0001361,COCCn1ccnc1CN1CCC(NS(C)(=O)=O)CC1,3.55,2.471813201904297,0.04423988088514695,1039,1
OADMET-0001360,Cn1ncc(CN2CCC(N3CCC(O)CC3)CC2)c1C1CC1,3.02,2.6882558822631837,0.1090180563293501,1038,0
OADMET-0001359,CC(Cn1cncn1)NCC1(c2cccc(F)c2)CCCC1,4.38,5.096170902252197,0.14406293573188297,1037,3
OADMET-0001358,CC(=O)c1cc(CN2CCC3(CC2)CN(CC(C)c2ccccc2)C(=O)O3)cs1,3.43,4.401096248626709,0.07413346833496307,1036,0
OADMET-0001357,CCc1cc(-c2ccnn2C)nc(N(C)C)n1,3.38,3.6821280479431153,0.18103458296132022,1035,0
OADMET-0001356,COc1ccc(NC(=O)NC(C)c2cnn(C)c2)cc1NS(C)(=O)=O,3.94,3.3700911521911623,0.1154109978371813,171,1
OADMET-0001355,CCc1ccc(CN(C)Cc2ccc(CN3CCCCC3)s2)nc1,3.78,4.627451801300049,0.14106441568092754,1034,3
OADMET-0001354,COc1cc(-c2ccc(C(C)N3CCCC3)cc2)nc(N)n1,3.62,3.354863977432251,0.1700058561923969,1033,3
OADMET-0001353,CC(C)[C@@H]1CN(C(=O)c2ncn[nH]2)C[C@H]1NS(=O)(=O)N(C)C,3.24,4.537526226043701,0.1293241715558522,355,4
OADMET-0001352,CCc1nnc(CNC(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)s1,2.61,3.6542285442352296,0.09528200815100146,106,2
OADMET-0001351,CCCCN(Cc1ccc(F)cc1)Cc1cc(O)c(OC)cn1,4.55,3.7657626628875733,0.07629884585550353,1032,2
OADMET-0001350,COc1ncccc1-c1ncc(C)c(N(C)C)n1,3.7,4.748914527893066,0.14484523362517218,1031,1
OADMET-0001349,COc1ccc(CC(=O)N2CCC(CNC(=O)CCn3nnnc3C)CC2)cc1,3.36,3.313361167907715,0.06168032113464717,384,4
OADMET-0001347,CN(Cc1noc(C2CCCC2)n1)Cc1nc2ccc(F)cc2[nH]1,4.64,4.175404739379883,0.07600482621757272,1030,0
OADMET-0001346,Cc1cc(C(=O)N(CCOc2ccccc2)CC2CCCO2)ccc1N1CCOCC1,4.38,4.555464839935302,0.07737091919700467,1029,4
OADMET-0001345,C[C@H](N)C(=O)Nc1ccccc1CN1CCOCC1,3.28,3.3855707168579103,0.16780577810242336,1028,3
OADMET-0001344,Cc1cc(C(=O)NCc2nc(N)nc(N(C)C)n2)c(-c2ccccc2)o1,4.08,4.616225719451904,0.1022263843862601,343,2
OADMET-0001343,Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n(C2CCCC2)n1,3.71,3.6250925064086914,0.06320377816692424,324,4
OADMET-0001342,Cc1cc(C)n(CCN(C)C(=O)c2cccc(-c3cncc(C(=O)O)n3)c2)n1,1.81,3.7268839836120606,0.10016147663513991,387,1
OADMET-0001341,O=C(NCc1cc(-c2ccco2)on1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1,3.44,2.587527132034302,0.12301164590762213,388,3
OADMET-0001340,Cc1ccn(CCCNc2cc(C(C)C)ncn2)n1,3.16,3.5550904273986816,0.08616272691061205,1027,2
OADMET-0001339,O=C(N[C@@H]1CCN(C(=O)CCc2ccc(=O)[nH]n2)C[C@H]1O)c1ccccc1,2.05,2.6562424182891844,0.16299293882334706,183,3
OADMET-0001338,Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3snnc3C)c2)n1,4.87,4.979782009124756,0.10418434696483687,387,1
OADMET-0001337,CCc1csc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)n1,4.99,4.945457553863525,0.08912763696160796,1026,1
OADMET-0001336,CCc1cn[nH]c1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,4.96,4.514546012878418,0.13610881420712678,1025,0
OADMET-0001335,COc1ccc(NC2(C(=O)NCc3noc(C4CC4)n3)CCCCC2)cc1,4.74,4.937470149993897,0.09312840448779201,68,2
OADMET-0001334,CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cc(=O)[nH]c(=O)[nH]1,3.49,2.6723450660705566,0.1321560729365697,1024,4
OADMET-0001333,CC(C)Nc1ncc(C(=O)NC2CCSC2)cn1,3.73,4.422593116760254,0.25236110303681136,1023,3
OADMET-0001332,CN1CCN(C(=O)CSCc2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21,4.69,4.281244373321533,0.14266864974542762,1022,1
OADMET-0001331,CC(C)(C)c1cc(CNC(=O)C2CCC(=O)NC(=O)N2)[nH]n1,3.09,2.944058656692505,0.12850890760513917,382,1
OADMET-0001330,O=C(c1ccc(-c2cccnc2)nc1)N1CCCC(c2ccccc2)CC1,4.56,4.638722038269043,0.07663469857503022,386,0
OADMET-0001329,CN1CCN(Cc2nnc(C3CCN(C(=O)Cn4ncnn4)CC3)n2C)CC1,3.05,2.689728546142578,0.07022168187225665,1021,4
OADMET-0001328,c1ccc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)cc1,3.67,3.427887773513794,0.14960403857959306,1020,0
OADMET-0001327,Nc1nnnn1CC(=O)N1CCC(Oc2cccnc2)CC1,1.91,2.448688793182373,0.11061633951450629,1019,4
OADMET-0001326,COCCN(Cc1cc(C(C)C)on1)Cc1ccccc1Cl,4.8,5.009121513366699,0.17645876828552137,1018,3
OADMET-0001325,CN(Cc1ccc(-c2cc[nH]n2)o1)C1CCSCC1,3.98,3.852552080154419,0.113417832590784,1017,2
OADMET-0001324,O=S(=O)(N1CCCCC1)N1CCCN(Cc2c[nH]cn2)CC1,3.39,4.326233005523681,0.2670612047884937,1016,1
OADMET-0001323,O=C(NCCc1noc(C2CC2)n1)c1nc2ccccc2[nH]c1=O,3.58,3.998464059829712,0.13056699402256666,109,1
OADMET-0001322,Nc1nnnn1CC(=O)NCCc1noc(-c2ccccc2)n1,2.55,3.4340882301330566,0.08440920527845616,179,2
OADMET-0001321,Cc1cccc2[nH]c(C3CCCN3C(=O)c3c[nH]c(=O)[nH]3)nc12,2.59,3.2840264797210694,0.04677691173030824,1015,0
OADMET-0001320,Cc1nn(C)c(C)c1CCC(=O)NC(C)c1nnc(CC(=O)O)[nH]1,2.51,2.566213274002075,0.051063212896826075,186,1
OADMET-0001319,CCc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)[nH]1,3.69,4.340647125244141,0.13338015300339068,1014,4
OADMET-0001318,Cc1ncsc1CN(Cc1ccccc1)C(=O)NC1CCCCC1,4.66,4.846413803100586,0.1491268351306805,1013,3
OADMET-0001317,CC(C)(O)CCc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1,3.25,3.4989092350006104,0.17879377437084784,1012,2
OADMET-0001316,Nc1nnc(CCNC(=O)C2CCN(C(=O)C3CCCO3)CC2)s1,2.36,2.4405939102172853,0.18674700159709517,1011,1
OADMET-0001315,CN(C)Cc1ccccc1CN(C)C(=O)c1ccc(-c2cccc(F)c2)cc1,4.46,4.568481063842773,0.10781323401247109,1010,0
OADMET-0001314,CCCOc1cccc(-c2nccnc2NC)c1,3.43,4.5198627471923825,0.05724399841146087,1009,4
OADMET-0001313,CCc1nc(CN2CCC(n3nc(C)cc3C)C2)no1,3.53,3.627830696105957,0.1442407692782225,374,3
OADMET-0001312,c1ccc(OCCN2CCN(Cc3ccc(C4CCCO4)s3)CC2)cc1,3.53,3.547023820877075,0.03393478527822258,1008,2
OADMET-0001311,CCCn1ncnc1C(C)NC(=O)c1cc(C)oc1C,3.81,3.7625262260437013,0.1174319255062972,1007,0
OADMET-0001308,CCCc1nc(C)c(CNC(=O)Cn2nnnc2N)s1,3.23,2.672992134094238,0.08006480142205677,111,3
OADMET-0001307,Cc1ccccc1CNC(=O)CN1CCN(c2ccnc3nncn23)CC1,3.03,2.9544320106506348,0.12060552925013207,1006,0
OADMET-0001306,Cc1ccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1,3.56,5.092212963104248,0.18040473130322124,1005,1
OADMET-0001305,CCc1noc(C)c1C(=O)N1CCC(N2CCSCC2)CC1,3.17,3.071482229232788,0.1187762144861925,1004,0
OADMET-0001304,Cc1nc(-c2ccc(C(C)N3CCOCC3)cc2)n(C)n1,2.56,3.843837118148804,0.10189227317044505,1003,4
OADMET-0001303,COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c1,4.15,4.010249423980713,0.21994217810586514,1002,3
OADMET-0001302,c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,3.94,3.860023355484009,0.04037420548962617,1001,2
OADMET-0001301,CC(Cc1cccs1)NC(=O)c1cccc(Cn2cccn2)c1,4.68,4.977798080444336,0.11365277309267949,385,2
OADMET-0001300,Cc1nc(CCNC(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)nc2c1CCC2,3.18,2.89573712348938,0.19446039581458546,1000,1
OADMET-0001299,Fc1ccccc1CCC1CCCN(c2nnnn2-c2ccccc2)C1,4.92,5.4479554176330565,0.04486095276258004,999,0
OADMET-0001297,CNC(=O)CC1C(=O)NCCN1C(=O)NCc1nc2cc(F)ccc2[nH]1,2.6,2.405245542526245,0.06516559810674606,998,4
OADMET-0001296,Cc1nnnn1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1,2.71,3.510449981689453,0.11049758599624322,384,4
OADMET-0001295,Cc1ccc(C(=O)NC(c2nccn2C)C(C)C)s1,4.6,5.250288200378418,0.12442086235462459,997,3
OADMET-0001294,O=C(O)c1csc(CCNC(=O)N2CCOc3ccc(CO)cc3C2)n1,2.34,2.442988729476929,0.05248490501465129,996,2
OADMET-0001293,CCSc1ccccc1NC(=O)c1cscn1,4.19,4.552723407745361,0.09108669050682164,353,1
OADMET-0001292,Cc1nc2cc(C(=O)N3CC(Oc4ccccc4Cl)C3)ccc2s1,3.68,4.319467639923095,0.10690228366299417,995,1
OADMET-0001290,CCCCC(=O)Nc1ccc(C(=O)NCCc2nnc(N)s2)cc1,3.41,2.879654788970947,0.055172986543007035,176,0
OADMET-0001289,COc1ccc2c(c1)CC(C(=O)NCc1nnnn1-c1ccccc1)CO2,4.21,4.465902709960938,0.08091813079328035,112,4
OADMET-0001288,O=C(NCc1nc(-c2ncccn2)no1)C1CC(=O)N(Cc2ccncc2)C1,2.76,2.7486032962799074,0.13344855279578677,994,4
OADMET-0001287,CC(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)nc1,2.5,2.608583164215088,0.1263690681898337,993,2
OADMET-0001286,COc1ccccc1-n1c(SCC(=O)O)nnc1C1CCOCC1,2.39,3.6941273689270018,0.16032281672116303,992,3
OADMET-0001284,CCOc1c(CN(C)Cc2nc(C(N)=O)no2)cccc1OC,3.35,3.6548927783966065,0.042386373241955835,991,2
OADMET-0001283,Cn1nc2cccc(S(=O)(=O)NCCCc3csc(N)n3)c2n1,4.0,3.7122490882873533,0.13235276265052046,366,0
OADMET-0001282,COCCCn1cnnc1CNC(=O)Cn1ccccc1=O,2.37,2.4328043937683104,0.12711380687761387,381,2
OADMET-0001281,CN(C)CCN1CC2(CCN(C(=O)CCCS(N)(=O)=O)CC2)OC1=O,2.28,2.8200300693511964,0.19649992584590026,990,1
OADMET-0001280,COCCn1cncc1CN1CCN(S(C)(=O)=O)CC1,3.14,2.7780596733093263,0.1358687240903253,989,0
OADMET-0001279,CCCOC1CCCN(C(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1,4.83,4.270732498168945,0.08629522038113481,988,4
OADMET-0001278,Nc1nc(-c2ccccc2C(=O)O)cc(N2CCOCC2)n1,2.56,2.332190752029419,0.06801646994333063,987,3
OADMET-0001277,CCc1cc(NCCCn2ccnc2)n2nccc2n1,1.61,3.754435920715332,0.08890120996095603,986,2
OADMET-0001276,Fc1ccc(-c2n[nH]cc2CN(Cc2cccnc2)Cc2cccnc2)cc1,4.6,4.4087165832519535,0.24191409746568923,985,1
OADMET-0001275,Cc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)c(C)c1,3.8,4.445282077789306,0.15181477640834937,69,0
OADMET-0001274,CNC(=O)c1ccc(S(=O)(=O)NCc2nonc2C)cc1,3.68,3.8593557834625245,0.09569054281621693,341,4
OADMET-0001273,CSc1ncc(CNC(=O)Cn2nnnc2N)n1C,3.39,2.056329846382141,0.07682712955826927,383,1
OADMET-0001272,O=C(NCCCn1ccnn1)C1Cc2ccccc2O1,2.95,3.992872142791748,0.10595034790336047,185,4
OADMET-0001270,Cc1cc(C)nc(SCc2ccc(C(=O)NCc3noc(C4CC4)n3)o2)n1,4.39,4.565330219268799,0.08169645906855436,182,3
OADMET-0001268,CCCn1cc(NC(=O)NCCn2c(C)cc(C)nc2=O)nn1,2.43,3.1309409141540527,0.0711535242227304,984,0
OADMET-0001267,Cn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O,3.29,2.8296984672546386,0.1609050312892163,382,1
OADMET-0001266,CCN1CCN(C(=O)NC(C)c2nncn2CCCOC)CC1,2.79,2.570337343215942,0.12383789187958424,381,2
OADMET-0001264,Cn1cccc1CCC(=O)N1CCCN(C2CCCC2)CC1,2.91,4.003934097290039,0.07680529902268786,983,4
OADMET-0001263,CC(c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1,4.5,4.806034183502197,0.18709908652250007,982,3
OADMET-0001262,CN(C)c1ccc(CCC(=O)NCc2noc(C(N)=O)n2)cc1,3.18,3.151854944229126,0.11632388325694396,69,0
OADMET-0001261,CN1CC(=O)N(CC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)C1=O,3.15,3.120289611816406,0.2548003855221597,380,3
OADMET-0001260,COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)CC2)c1,3.37,3.754535436630249,0.09797870216664832,981,1
OADMET-0001259,Cc1ccc(CN2CCC(CNC(=O)c3n[nH]nc3C)CC2)o1,2.88,3.205925178527832,0.1707385373181977,980,3
OADMET-0001258,Cc1cnc2c(C(=O)Nc3ccc(Oc4nnn[nH]4)cc3)cnn2c1,1.64,2.0475927591323853,0.07323339269840709,66,3
OADMET-0001257,Cc1nc(CN2CC[C@@H](Nc3ncccc3C#N)[C@H](O)C2)cs1,3.77,3.581603765487671,0.17535646051779039,979,2
OADMET-0001256,CSCc1ccc(C(=O)NC2CCS(=O)(=O)CC2)o1,3.21,3.7341197967529296,0.0716180383762274,978,1
OADMET-0001255,CCN1CC(C(=O)NCCCc2nc(C)c(C)s2)CC1=O,3.39,3.683848476409912,0.20806940961086648,342,3
OADMET-0001254,COc1cc(C)c(C)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1,5.05,4.607088088989258,0.1138754984844512,977,2
OADMET-0001253,OCC1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1,4.36,4.413625335693359,0.18412305642934712,976,1
OADMET-0001252,Cc1n[nH]c(SCC(=O)N(C)Cc2nc(-c3ccncc3)no2)n1,3.73,2.6387702941894533,0.1255946356571189,354,0
OADMET-0001251,Cc1nccn1CC1CCCN(S(=O)(=O)N(C)C(C)C)C1,4.47,4.263527059555054,0.24867290582918733,975,0
OADMET-0001250,Cn1cc(S(=O)(=O)NCc2nncn2CCc2ccccc2)c(=O)n(C)c1=O,3.09,4.095414161682129,0.15246443126025097,974,4
OADMET-0001248,CC(C)c1cc(C(=O)NCCc2nnc(N)s2)nc(N)n1,3.28,2.4194087982177734,0.0549864955296361,176,0
OADMET-0001247,CCCc1noc(CN(C)C(=O)NC2CCS(=O)(=O)C2)n1,3.55,3.4204468727111816,0.05037963967620408,347,2
OADMET-0001246,Nc1nnc(SCC(=O)NCc2csc(-c3ncccn3)n2)s1,2.77,3.3881499767303467,0.20753474307859712,973,3
OADMET-0001245,Cc1ccccc1C1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1,2.84,3.6799928188323974,0.1280977336706337,972,2
OADMET-0001244,CCc1ocnc1C(=O)N1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21,2.8,2.4996006965637205,0.16428209752472397,971,1
OADMET-0001243,Cc1cc(N2CCN(C(=O)CC3C=CCC3)CC2)nc(N)n1,3.03,3.7794281959533693,0.11465659826720888,970,0
OADMET-0001242,O=C(NCCCc1nnn[nH]1)c1[nH]nc2c1CCC2,2.62,2.247632360458374,0.0975305577704699,337,2
OADMET-0001241,O=Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O,1.66,3.612542486190796,0.15633014424257935,969,4
OADMET-0001240,Cc1cc(OCc2ccc(C=O)o2)ccc1[N+](=O)[O-],3.38,3.1388596057891847,0.15762189534228127,379,4
OADMET-0001239,O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,7.54855421686747,5.181390285491943,0.1171651678545803,968,3
OADMET-0001238,CNC(=O)C1(NC(=O)c2nccn2C)CCCCC1,3.33,3.9438860416412354,0.14573478980656449,967,2
OADMET-0001237,Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1,3.94,3.775394821166992,0.15608385161899405,57,0
OADMET-0001236,Cn1nnnc1SCCNC(=O)c1nc(=O)[nH]c2ccccc12,2.57,3.5237885475158692,0.1604984843080888,358,3
OADMET-0001235,Cc1nnnn1-c1ccc(NS(=O)(=O)NCc2ccccc2)cc1,3.35,3.6201047897338867,0.05345693534603951,966,1
OADMET-0001234,CN(CC(=O)O)Cc1cc2ccccc2n(C)c1=O,4.11,3.3650360107421875,0.07985604624428572,378,1
OADMET-0001233,COc1ccc2oc(CNC(=O)[C@H]3CCC[C@@H](O)C3)nc2c1,3.4,2.7267961502075195,0.2166254837975909,965,0
OADMET-0001232,CCNc1ncc(CN2CCC(C(=O)O)CC2)cn1,3.35,2.374095058441162,0.14004584172642104,964,4
OADMET-0001231,Cc1cc(C)cc(N2CCN(C(=O)c3ccccc3-n3cncn3)CC2=O)c1,3.95,4.381838417053222,0.142048270193839,963,3
OADMET-0001230,CCC(NS(=O)(=O)N1CCOCC1)c1nc(C)c[nH]1,4.19,3.3707343101501466,0.04815308740761252,962,2
OADMET-0001229,CCc1nnc(CN(CC)C(=O)CC2CCOC2)o1,3.49,2.8449357032775877,0.10892123691690737,961,1
OADMET-0001228,CS(=O)(=O)CCC(=O)N1C[C@H]2CC[C@H]1C2,2.71,5.257001495361328,0.15602620397366238,960,0
OADMET-0001227,CN(Cc1ccc2nonc2c1)C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1,2.79,2.142564392089844,0.13139303257418375,959,4
OADMET-0001226,O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1cnco1,3.19,3.1459006786346437,0.19364776728656174,958,3
OADMET-0001225,CCc1nc(CNC(=O)c2ccc3nnnn3c2)cs1,3.52,2.4240572452545166,0.08158743032965407,371,0
OADMET-0001224,CCc1noc(C(C)NC(=O)c2cnc(N)nc2-c2ccccc2)n1,3.76,3.8492061138153075,0.12470668531469088,957,2
OADMET-0001223,Nc1nc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1,2.9,2.8277917861938477,0.14159959033995012,370,1
OADMET-0001222,COc1ccccc1OC1CN(CC(C)(C)CN2CCOCC2)C1,3.19,4.732388210296631,0.3131453271794538,956,1
OADMET-0001221,Cc1ccc(CN2CCNC(=O)C2CC(=O)N2CCC3(CC2)COC(=O)O3)o1,2.97,3.3143235206604005,0.17654503802524543,955,0
OADMET-0001220,CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N(C)CCO)c2)cn1,3.16,3.6194108963012694,0.08356615643901413,954,4
OADMET-0001219,CC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O,2.74,3.6004223823547363,0.09069083248535965,148,2
OADMET-0001218,Cc1c[nH]c(C(C)NC(=O)c2cc(Cl)ccc2C)n1,3.82,4.162113237380981,0.14765487341079797,953,3
OADMET-0001217,O=C(Cn1cccn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1,4.01,4.396817398071289,0.2295258577688299,952,3
OADMET-0001216,O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cnn[nH]1,3.11,2.611175012588501,0.13292855621262115,951,4
OADMET-0001215,Cc1cc(N2CCC[C@@H]2C(=O)O)nc(N2CCOCC2)n1,2.24,2.4841466426849363,0.08635223102112408,950,0
OADMET-0001214,CC1(C)CC1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,4.57,4.802792167663574,0.10223302259071093,359,4
OADMET-0001213,CCc1csc(CCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n1,4.36,4.5555870056152346,0.04633143603268261,949,4
OADMET-0001212,COc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1Cn1cccn1,4.28,4.076393795013428,0.09038755567559424,948,0
OADMET-0001211,CC(=O)Nc1ccc2nc(CNCCNc3ccncc3C)ccc2c1,2.67,3.2886502265930178,0.17139438326293963,947,4
OADMET-0001210,c1ccc(-c2ccc(CN3CC(N4CCOCC4)C3)s2)cc1,3.23,3.6942235469818114,0.14819025752902112,946,3
OADMET-0001209,COCC1CCN(C(=O)Cn2nc3ccccc3n2)C1,4.0,3.7808131694793703,0.14948485683663695,377,0
OADMET-0001208,Cn1cncc1C(=O)NC1(c2cc(F)cc(F)c2)CC1,4.11,4.843347072601318,0.09951180163511554,945,2
OADMET-0001207,Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1,2.75,2.9463810443878176,0.02551390643551902,944,1
OADMET-0001206,Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1C,2.77,3.0967673778533937,0.09883698710552744,175,2
OADMET-0001204,O=C(CCCn1ccnc1)N1CCC(Cc2ccc(F)cc2)CC1,5.33,3.902598476409912,0.08506961392228948,105,2
OADMET-0001203,Cc1n[nH]c(C2CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1,3.05,3.0516595363616945,0.09521912715797345,155,2
OADMET-0001202,CCc1nnc(CN(CC)C(=O)Nc2ccc(Cc3nnc(C)[nH]3)cc2)o1,2.49,3.102363872528076,0.11284421956536371,943,0
OADMET-0001201,CCCC(C)N1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O,3.95,3.4354951858520506,0.0822925272325776,942,4
OADMET-0001200,Fc1cc(CN2CCCN(Cc3cccnc3)CC2)ccc1Cl,4.17,3.231163263320923,0.06581660778895497,376,2
OADMET-0001199,CCOCC(=O)N1CCC(C(=O)N2CCCC(O)CC2)CC1,2.53,2.780310535430908,0.12162604343081283,375,4
OADMET-0001198,COCCc1nc(CNC(=O)CSc2nc(C)n[nH]2)no1,2.79,2.956165409088135,0.07588798490487221,68,2
OADMET-0001197,CN(Cc1ccc(CN2CC[C@@H](N)[C@H](O)C2)o1)S(C)(=O)=O,2.68,2.4570510387420654,0.08338994698979889,941,3
OADMET-0001196,COC(C)c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1,4.98,5.452273273468018,0.08624453291649102,940,2
OADMET-0001195,CCc1nc(CN2CCOC(c3ccc4cc(OC)ccc4c3)C2)no1,3.78,4.488092708587646,0.12607075635965234,374,3
OADMET-0001194,CC(C)C[C@@H](NC(=O)c1cccc(-c2ncc[nH]2)c1)C(N)=O,3.32,3.590124416351318,0.15031962416445144,939,1
OADMET-0001193,CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cn(CCN)nn1,2.48,2.6825339794158936,0.12374499506735612,938,0
OADMET-0001192,CSCCC(=O)NC1CCN(Cc2ccccc2F)CC1,3.06,3.0321557998657225,0.17713515169354632,937,3
OADMET-0001191,CC(C)(C)n1ccc(C(=O)N2CCN(CCCCO)CC2)c1,3.66,2.991515064239502,0.12226214402957805,936,1
OADMET-0001190,O=C(CCCn1cncn1)NC1CCCN(Cc2cccs2)C1,3.48,2.988325595855713,0.12296290545896646,935,2
OADMET-0001189,CN(C)CC1COCCN(CCCn2cccn2)C1,3.05,3.344350290298462,0.1275821495088538,934,1
OADMET-0001188,CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1O,3.19,2.09028103351593,0.059093999926349686,933,0
OADMET-0001187,COc1cccc(-c2ccccc2NC(=O)C2CCN(c3cnccn3)CC2)c1,4.19,4.462815380096435,0.04493159691053098,932,4
OADMET-0001186,Cc1nnc2ncc(-c3ccc(OC(C)C)cc3)cn12,3.7,3.1233766078948975,0.1343170229267266,367,4
OADMET-0001185,CC(C)c1nc(C(=O)NC2(c3nnc(N)s3)CCCCC2)cs1,5.54,4.547152709960938,0.06829052958114516,931,3
OADMET-0001184,COc1ccccc1CCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O,3.34,3.47842698097229,0.14615046561816236,930,2
OADMET-0001183,CCCS(=O)(=O)NC(C)c1nc(-c2ccc(OC)c(OC)c2)no1,3.85,4.302865409851075,0.06140809010814013,184,1
OADMET-0001182,Cc1cc(CN2CCC(c3nnc[nH]3)CC2)on1,2.69,2.5266830921173096,0.07561637916903513,350,4
OADMET-0001181,CCc1nc2cc(NC(=O)C3CCC3)ccc2n1CC,4.56,4.056873607635498,0.17733871296449336,373,3
OADMET-0001180,CCSc1cccc(-c2cc(C(=O)N3CCCCC3)ccn2)c1,4.77,5.307515811920166,0.06840326132911217,929,1
OADMET-0001179,COCc1ccc(C(=O)NCc2noc(C(N)=O)n2)s1,2.66,2.8093950748443604,0.13149814961418513,69,0
OADMET-0001178,Cc1nnnn1CCC(=O)Nc1ccc2[nH]c(C(C)O)nc2c1,2.53,2.5158843040466308,0.07295409727046603,372,2
OADMET-0001177,COc1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1CO,4.84,4.762720775604248,0.07845134434046074,928,0
OADMET-0001176,Cc1ccc2nc(CN3CCN(C)C(c4ccccc4)C3)[nH]c2c1C,4.47,4.242919540405273,0.06670414479680735,927,4
OADMET-0001175,CC(=O)N[C@@H](C)C(=O)Nc1cccc(-n2cccn2)c1,3.9,3.813131332397461,0.24539576063951254,926,3
OADMET-0001174,Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)COCc2nc3ccccc3[nH]2)on1,3.81,3.364204502105713,0.11279882311075459,348,1
OADMET-0001173,Cc1nn(C)cc1C(=O)NCC1CCCN(c2ccncc2)C1,3.3,3.1214952945709227,0.08754772227997881,925,2
OADMET-0001172,CC(C)c1nccc(C(=O)N2CCc3n[nH]cc3C2)n1,2.43,3.3213428497314452,0.10764454855284297,924,2
OADMET-0001171,CCCCC(=O)Nc1ccc(C)cc1NC(=O)Cn1nnnc1N,3.55,3.3816810607910157,0.19284113406147602,111,3
OADMET-0001170,CCc1csc(CNC(=O)c2cc3ncccn3n2)n1,3.24,3.4489554882049562,0.09948048689055072,371,0
OADMET-0001169,CCn1cnnc1CCNC(=O)c1ccc(CN2CCCC2)o1,3.01,2.6203917503356933,0.03167930698313067,335,0
OADMET-0001168,CCCCSCc1cc(C(=O)NC2(C(=O)O)CCCC2)oc1C,4.55,2.9780033111572264,0.08156939351580403,923,3
OADMET-0001167,Cc1ncn(CCNC(=O)c2cncc(O)c2)c1C,2.28,2.49804105758667,0.07504791274796882,922,4
OADMET-0001166,CC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2)[C@H](O)C1,2.4,2.576613998413086,0.15043671030385333,183,3
OADMET-0001165,COCc1nnc(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)s1,2.49,3.381319761276245,0.1611790074893963,921,0
OADMET-0001164,COC1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1,2.51,2.771577835083008,0.08183211119600169,920,0
OADMET-0001163,O=C(Nc1ccccc1Cl)N1CCC(n2cc(C3CCCCC3)nn2)CC1,3.93,4.495098972320557,0.07834649339111448,919,4
OADMET-0001162,Cc1nnc(CN(C)C(=O)NCC2CCCCC2)o1,3.5,3.518631935119629,0.08702862338692974,918,3
OADMET-0001161,CSCc1noc(CNC(=O)c2n[nH]c(=O)c3ccccc23)n1,3.62,3.8180222511291504,0.12840561846342674,917,2
OADMET-0001160,Nc1nnc(CNC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)s1,3.31,3.1906529903411864,0.16283989288367776,180,3
OADMET-0001159,Cc1csc(CN(C)CCCc2nccn2C)n1,3.41,3.1571303844451903,0.12451307345673714,916,1
OADMET-0001158,COCCc1nc(CNC(=O)N(C)Cc2noc(C3CC3)n2)no1,3.2,3.576673746109009,0.14809462513243812,68,2
OADMET-0001157,COc1ccc2ncn(CCc3n[nH]c(N)n3)c(=O)c2c1,3.15,2.3914387226104736,0.09937607720452518,915,0
OADMET-0001156,CC(C)c1cc(CNC(=O)CC2C=CCC2)on1,4.16,4.337914180755615,0.09695868225708015,914,4
OADMET-0001155,Cc1nc2sccn2c1C(=O)NCc1ccc(S(N)(=O)=O)cc1,1.72,2.78671817779541,0.12851909091383715,370,1
OADMET-0001154,COc1c[nH]c(C(=O)N[C@H]2C[C@H](c3cc(=O)[nH]c(C4CC4)n3)C2)cc1=O,2.74,4.038592052459717,0.20696336692240191,913,3
OADMET-0001153,CNC(=O)c1ccc(CNC(=O)c2nnc3nc(C)cc(C)n23)o1,3.48,2.8983311653137207,0.10442126660150873,912,2
OADMET-0001152,CCCn1ccnc1CN(C)CCc1ccccn1,3.86,3.3192147731781008,0.19061255322847848,911,1
OADMET-0001151,COc1coc(CN2CCCn3nc(C#N)cc3C2)cc1=O,2.87,3.558089256286621,0.12093373377299593,910,0
OADMET-0001150,CO[C@H]1CN(C2CSCCSC2)C[C@@H]1O,3.69,3.5377005100250245,0.5038670460491579,909,3
OADMET-0001149,Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(CC(C)C)no1,4.71,4.912726306915284,0.09538113106436741,908,1
OADMET-0001148,O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cscn2)C1,2.59,2.2557381629943847,0.040963220461570755,907,2
OADMET-0001147,COc1ccc2c(C)c(CC(=O)NCc3noc(C4CC4)n3)c(=O)oc2c1,3.72,4.3258764266967775,0.04006460765113723,182,3
OADMET-0001146,CC(C)Nc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1,4.13,3.6522115230560304,0.08060972845541231,906,1
OADMET-0001145,O=C(NCc1noc(C2CCCO2)n1)c1n[nH]c2c1CCC2,3.48,4.247078895568848,0.03919073466431362,905,0
OADMET-0001144,Cc1cccc(OC2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)c1,3.74,3.620870018005371,0.0948550378085509,369,1
OADMET-0001143,NS(=O)(=O)c1ccc(C(=O)N2CCCOC(Cn3cccn3)C2)cc1,3.04,2.9727016925811767,0.16940269177151746,904,4
OADMET-0001142,O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccc2c(c1)CCO2,4.24,4.127887773513794,0.1700368277180557,903,3
OADMET-0001141,O=C(c1cccc(-n2cnnc2)c1)N1CCCCC1CCc1ccccc1,4.41,5.331925392150879,0.05654645619247581,173,4
OADMET-0001140,CCCn1cnnc1CNC(=O)Nc1cccc(NS(C)(=O)=O)c1,2.77,3.9769492149353027,0.14154887054402795,106,2
OADMET-0001139,Fc1cnc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1,3.79,4.905534267425537,0.10633225341802091,902,2
OADMET-0001138,COc1ccc(N2CCN(Cc3cc(=O)c(OC)co3)C(C)C2=O)cc1,2.9,3.568437433242798,0.12935748318568838,901,1
OADMET-0001137,Cc1nc(N)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1,2.75,3.221201467514038,0.10400078605508745,900,0
OADMET-0001136,CCCN(Cc1ccccc1OC)Cc1ccccc1C(=O)O,4.16,3.562322998046875,0.15751129928952165,7,3
OADMET-0001135,Cc1ncn(C)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1,2.22,1.8610466957092284,0.10632777743324225,899,4
OADMET-0001134,Cc1ccc(C)c(-c2nccn2C2CCNC2)c1,3.34,4.026348876953125,0.18256308325498702,898,3
OADMET-0001133,CC(CNC(=O)C1CCC(=O)N(C2CC2)C1)(c1ccccc1)c1ccccc1,4.61,4.846459579467774,0.12834811682569397,897,2
OADMET-0001132,O=C(CSCCN1CCCC1)N1CCC(OCc2ccccn2)CC1,2.67,3.363453245162964,0.12092467447618833,896,1
OADMET-0001131,Cc1csc(C(C)CNC(=O)c2ccc[nH]2)n1,3.75,3.8981767177581785,0.1705815525606518,368,3
OADMET-0001130,Cc1cnc(N)c(-c2ccc(OC(C)C)cc2)c1,3.85,3.4633902072906495,0.11454100524861537,367,4
OADMET-0001129,Cc1cccnc1N1CCN(C(=O)CN2CC(=O)NC2=O)CC1,2.76,2.2503965854644776,0.10314551026834307,895,4
OADMET-0001128,CCCn1nccc1S(=O)(=O)NCCCc1csc(N)n1,4.28,3.87362060546875,0.13780010565706446,366,0
OADMET-0001127,CC(C)Cc1nc(CNC(=O)c2ccncc2F)no1,3.29,3.139940595626831,0.13901835249900676,894,2
OADMET-0001126,COC(=O)c1ccc(-c2ccc(C(=O)N(C)CC(O)CO)cc2)c(CO)c1,2.5,3.561135101318359,0.11444006189427458,893,2
OADMET-0001125,O=C(Nc1nc2c(F)cccc2s1)C1CCOC1,3.63,4.341358757019043,0.13868681977945052,301,3
OADMET-0001124,Nc1[nH]nc(C(=O)NC(Cn2cccn2)c2ccccc2)c1Cl,4.12,4.377099800109863,0.2157286798840032,892,3
OADMET-0001123,COc1cc2c(cc1CN(Cc1ccccn1)CC1CCCO1)CCC2,4.26,4.718367958068848,0.11324062115453684,891,2
OADMET-0001122,CC(C(=O)N1CCNC(=O)CC1)c1n[nH]c(=O)c2ccccc12,2.2,3.1364076137542725,0.17211427612317856,890,1
OADMET-0001121,CNC(=O)Cn1cc(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)cn1,2.84,3.3289474964141847,0.046835007507147086,889,0
OADMET-0001120,NS(=O)(=O)CC1CCN(C(=O)NCc2nc(-c3ccccn3)no2)C1,2.95,2.681226062774658,0.19314160156610727,67,1
OADMET-0001119,O=C(CCn1cc(Cl)cn1)N1CCC(CN2CCCC2=O)CC1,3.52,3.907258415222168,0.0882615276449388,365,0
OADMET-0001118,CNC(=O)C1CCN(c2ncc(Cl)cn2)C1,3.14,2.3795480728149414,0.14647851168744735,888,4
OADMET-0001117,Cc1nc(C)c(CNC(=O)CC2CCOC2)s1,3.42,2.7902297496795656,0.19499781208174136,887,3
OADMET-0001116,O=C(CC1C=CS(=O)(=O)C1)N1CCC(OCc2cccnc2)CC1,3.21,3.2830939292907715,0.13426602416143898,364,2
OADMET-0001115,O=C(CN1C(=O)CNC1=O)NCCc1noc(C2CCCC2)n1,2.53,2.7164586067199705,0.17866188897280796,109,1
OADMET-0001114,Cc1nnnn1-c1cccc(NC(=O)c2cccc(-n3cnnc3)c2)c1,2.55,3.373138093948364,0.2730218924786952,110,4
OADMET-0001113,Cc1csc(CN2CCN(S(C)(=O)=O)CC2)n1,3.2,3.533019256591797,0.1638348810807916,886,2
OADMET-0001112,Nc1nc(NCc2cc(-c3ccccn3)no2)cc(C2CC(O)C2)n1,3.08,2.7722866535186768,0.24541657486299107,885,1
OADMET-0001111,COc1c(F)cccc1C(=O)Nc1ccc2c(c1)CC(C)O2,4.24,4.927242946624756,0.08102069392421536,884,0
OADMET-0001110,CC(NC(=O)c1cc(C2CC2)[nH]n1)c1nnc(CC(=O)O)[nH]1,2.74,2.8512744426727297,0.1323575536412576,186,1
OADMET-0001109,O=C(CN1C(=O)CNC1=O)NCc1n[nH]c2c1CCCCC2,2.47,2.7836421012878416,0.10463711480582377,883,4
OADMET-0001108,CC(C)Cn1cncc1CNC(=O)c1cncc(F)c1,3.16,3.3978127002716065,0.11573398014204002,181,0
OADMET-0001107,CCc1ocnc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1,2.23,2.6531537532806397,0.1982049371970893,882,3
OADMET-0001106,CCS(=O)(=O)NCC1CN(C(C)=O)CCO1,2.45,3.637978506088257,0.1271285663549824,881,1
OADMET-0001105,COc1ccccc1-n1cc(C(C)NC(=O)Cc2c[nH]c(=O)[nH]c2=O)cn1,2.88,2.9322899341583253,0.06935075652646785,107,0
OADMET-0001104,Cc1ccc2[nH]c(C(NC(=O)Cn3nnnc3N)C(C)C)nc2c1,3.73,3.3647315979003904,0.1748790353874544,111,3
OADMET-0001103,CCc1ccc(C(=O)N(C)Cc2ncccc2C)[nH]1,3.94,4.812350177764893,0.047817940220166576,880,4
OADMET-0001102,COc1ccc(CN(Cc2ccccn2)C(=O)NCC2CCN(C)C2)cc1,3.53,3.7231936931610106,0.15401260294591892,178,3
OADMET-0001101,O=C(c1ccccn1)C1CCCN(C(=O)NCCc2noc(C3CC3)n2)C1,4.26,3.7310370445251464,0.14602969291098958,109,1
OADMET-0001100,CS(=O)(=O)NCCC(=O)N1CCCC(OCc2cccnc2)C1,3.43,3.554384231567383,0.1444412919797695,364,2
OADMET-0001099,OC1(CCNc2ccc(Cl)cn2)CCCC1,3.92,3.523113489151001,0.06562428791365232,879,0
OADMET-0001098,CCCn1cc(CN2CCCC(c3nnc4ccccn34)C2)c(C)n1,3.49,4.085195827484131,0.10307817202433016,878,4
OADMET-0001097,CCCCC1CCCN1C(=O)NCc1ccc(O)cc1,4.31,4.555896949768067,0.15456692367409036,363,3
OADMET-0001096,CCCn1cc(NC(=O)N(C)Cc2cc(-c3ccncc3)no2)nn1,2.3,3.264278030395508,0.15480528640028351,877,3
OADMET-0001095,CCc1nc(C)c(C(=O)NC2COc3c(cccc3OC)C2)o1,3.87,4.1007672309875485,0.07728548359218929,876,2
OADMET-0001094,CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1nc(COC)no1,3.09,4.098342990875244,0.11654071875678904,875,1
OADMET-0001093,COc1ccc(NC(C)(C)C(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cc1,4.08,4.414219760894776,0.10145365507559764,298,4
OADMET-0001092,Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCCC3)c2)c1,4.82,3.8762206077575683,0.15897338722803245,874,0
OADMET-0001091,CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cn1,4.1,3.8718194484710695,0.08258435489448272,873,4
OADMET-0001090,COc1ccc(CNCCCc2ccccc2F)c(OC)c1C,4.32,4.5683060646057125,0.13800450925369795,872,3
OADMET-0001089,CC(NC(=O)Nc1cccc(N2CCN(C)C2=O)c1)c1nnc(N)s1,2.55,3.4649559020996095,0.08815740297038138,871,2
OADMET-0001088,CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2ccsc2)c1,5.11,5.068845939636231,0.047802168652834896,362,4
OADMET-0001087,OCC1(CC2CC2)CCCN(c2nc(-c3ccccc3)no2)C1,4.88,5.1262811660766605,0.11649033269079251,870,1
OADMET-0001086,CN(C)C(=O)N1CCOCC1CC(=O)NCCc1ccccn1,3.39,3.7391611099243165,0.11779532185771606,869,0
OADMET-0001085,CCCOC1CCCN(C(=O)CCn2cncn2)C1,3.53,3.495796298980713,0.21362802317608076,868,3
OADMET-0001084,CCc1nnc(CN(C)Cc2nccn2C2CC2)o1,3.46,3.9998987674713136,0.11401773968279265,867,4
OADMET-0001083,CN(C)CCOc1ccc(CN2CCN(Cc3nccn3C)CC2)cc1,3.46,2.788877534866333,0.0517756280371296,340,0
OADMET-0001082,COc1ccc(-c2n[nH]cc2CNC(=O)C2CC3(CCNCC3)CN2)cc1,2.11,3.162901735305786,0.08094240860835249,866,2
OADMET-0001081,CO[C@H]1CN(C(=O)CCc2ccc(C)cc2C)C[C@@H]1O,3.64,3.5424810886383056,0.288744594426421,865,3
OADMET-0001080,CCCN(CC1CC1)C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1,5.22,5.286324501037598,0.08529825153105614,864,4
OADMET-0001079,CC(C)c1cc(CN(C)C(=O)NCc2nc(-c3ncccn3)no2)on1,3.43,3.9229827880859376,0.1283878126386304,361,0
OADMET-0001078,CCN1CCCCC1CNc1ncc(C#N)c(N)n1,2.93,2.5638447284698485,0.21325862469761891,863,3
OADMET-0001077,O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cncc(F)c1,3.91,4.137269115447998,0.1393933512104417,181,0
OADMET-0001076,CC(C)C(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ncnn1C,4.87,4.820398330688477,0.15820446338737518,862,2
OADMET-0001075,Cc1nnc(CCNC(=O)c2ccc3nccn3c2)s1,2.27,2.3103402137756346,0.05845926610565152,861,1
OADMET-0001074,NC(=O)c1noc(CNC(=O)c2ccc(Oc3ccccc3)o2)n1,3.04,2.6930768489837646,0.08976414092000964,860,0
OADMET-0001073,CC(C)c1ccc(NC(=O)NCCc2ncnn2C)cc1,3.98,3.500956916809082,0.10795121603290134,859,4
OADMET-0001072,CC1CCC(=O)N1c1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1,3.62,3.9693565368652344,0.057513182158310146,360,2
OADMET-0001071,O=C(NCC1CCN(Cc2ncc[nH]2)CC1)c1ccsc1,2.86,2.862190914154053,0.11815388433547128,858,3
OADMET-0001070,Cc1nc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1,3.61,4.3671650886535645,0.08942789053623201,359,4
OADMET-0001069,CC(Oc1ccccc1CN1CCN(C(=O)N(C)C)CC1)C(=O)O,2.67,2.8664663791656495,0.1857267295238267,857,2
OADMET-0001068,Cc1cc(CN(C)Cc2cccc(O)c2)c(C)c(CN2CCN(C)CC2)c1,3.97,3.691160249710083,0.11430826310598914,856,1
OADMET-0001067,O=c1c2cccc(F)c2ncn1CC1CCCOC1,3.11,4.426492500305176,0.06633802050247141,855,0
OADMET-0001066,COCCc1noc(C(C)NC(=O)Cn2c(C)cc(C)nc2=O)n1,2.42,2.8818522930145263,0.121168242833827,352,2
OADMET-0001065,O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCCO,3.31,3.3823757648468016,0.07940116277029102,854,4
OADMET-0001064,COc1cccc(CNC(=O)N2CCC(NC(C)=O)C2)c1OC,3.14,3.8371516704559325,0.12169629760113719,67,1
OADMET-0001063,Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Oc2nnn[nH]2)cc1,2.44,2.075219464302063,0.06886217232681134,66,3
OADMET-0001062,CCc1noc(CN(CC)C(=O)c2ccc(-c3cc(C)n[nH]c3=O)cc2)n1,3.3,3.4431849479675294,0.10351571207308889,346,3
OADMET-0001061,Cn1nnnc1SCCNC(=O)N1CCN(c2ncccc2C#N)CC1,4.08,3.7710923671722414,0.24110925435946812,358,3
OADMET-0001060,Fc1cccc(CN2CCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)c1,3.97,3.6660748958587646,0.05659633721404897,357,4
OADMET-0001059,O=C(NCc1nc(C2CCCCC2)no1)c1cc(=O)n(-c2ccccc2)[nH]1,3.61,3.9263105392456055,0.11074743847940216,853,2
OADMET-0001058,CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)nc1,4.1,4.870469474792481,0.12813933909179967,356,3
OADMET-0001057,Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1csc(N)n1,3.65,2.649187469482422,0.0908114741029306,852,0
OADMET-0001056,CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(CN(C)C)o1,3.92,4.928230667114258,0.14007765307981962,111,3
OADMET-0001055,COc1cccc(CCNC(=O)N2CCC(CS(N)(=O)=O)C2)c1OC,2.8,3.7552977085113524,0.19303265337023617,67,1
OADMET-0001054,CC1(C(=O)NCc2noc(C(N)=O)n2)CCCCO1,2.56,2.987110710144043,0.12415484945929764,69,0
OADMET-0001053,CC(C)Cc1cc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)on1,4.64,4.636075496673584,0.15148730514833034,851,1
OADMET-0001052,O=C(c1nc2cccnc2[nH]1)N1CCCC(c2nnc[nH]2)C1,2.85,2.4437753677368166,0.052572924913203783,850,0
OADMET-0001051,CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)Cn1nnnc1N,2.49,2.724880266189575,0.0991545997200719,849,4
OADMET-0001050,O=C(NC1CCN(CC2CCCO2)CC1)c1ccncc1Cl,2.16,2.394469690322876,0.24466121389886053,848,3
OADMET-0001049,CC(C)Cc1cc(CNS(=O)(=O)c2cc(C(N)=O)cs2)on1,4.01,4.247638511657715,0.15589037000118217,847,2
OADMET-0001048,COCCOc1ccccc1NC(=O)NCc1nnc(N)s1,2.97,3.14792423248291,0.09337973324069875,180,3
OADMET-0001047,COCCn1nnnc1C1CN(C(=O)CCn2nc(C)cc2C)CCO1,3.79,4.3393604278564455,0.12645316266154152,846,1
OADMET-0001046,COc1ccccc1CCN1CCCC(CN(C)S(=O)(=O)N2CCCC2)C1,4.23,4.777760124206543,0.20270017257673784,845,0
OADMET-0001045,Cn1ccnc1C1CCN(Cc2c(F)cccc2Cl)CC1,4.29,3.8843446254730223,0.08026318664787936,844,4
OADMET-0001044,CC(C)c1nnsc1CNC(=O)[C@@H]1COC(=O)N1,3.2,2.3070453643798827,0.21215773681521838,843,3
OADMET-0001043,C1=C([C@@]23CCCN(Cc4ccccn4)[C@H]2CCOC3)CCOC1,3.76,3.726652240753174,0.1046912672323745,842,2
OADMET-0001042,Nc1nc(CCCNC(=O)C2Cc3ccccc3S(=O)(=O)N2)cs1,3.87,3.820764350891113,0.09919737604845329,339,1
OADMET-0001041,NCc1ccc(C(=O)NCCc2nc(N)cc(O)n2)cc1,3.76,2.591123676300049,0.10381474996286426,841,1
OADMET-0001040,CCNc1ncc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cn1,3.08,4.786755657196045,0.10910737050380379,355,4
OADMET-0001039,Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCc1nnn[nH]1)O2,3.33,4.160562324523926,0.10643734187232515,840,0
OADMET-0001038,COc1cccc(-c2ccnn2C(C)C)c1OC,3.97,4.4520360946655275,0.09026956283881626,839,3
OADMET-0001037,O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccon1,2.68,3.1145752906799316,0.12791037485117543,838,1
OADMET-0001036,CC(C)N1CCOC(CC(=O)N(C)CCN2CCCC2)C1,2.5,3.021704149246216,0.11007917026812056,837,1
OADMET-0001035,Cc1nc2ccccn2c1CC(=O)N1CCCN(S(C)(=O)=O)CC1,3.12,4.390008354187012,0.12735585347213677,108,0
OADMET-0001034,COCCN(C)C[C@@H]1CN(C(=O)c2cnc(C)nc2-c2ccccc2)C[C@@H]1CO,3.56,3.468055534362793,0.17521436266589283,836,2
OADMET-0001033,CN(Cc1cccnc1)Cc1cnn(CCC(=O)O)c1,2.04,2.7958088397979735,0.13747635229591834,835,1
OADMET-0001032,CCOC(=O)N1CCC(NCc2n[nH]c(N)n2)CC1,2.5,2.4016464710235597,0.09935963088230658,834,0
OADMET-0001031,Nc1nnnn1CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1,3.73,3.2653836250305175,0.13665057942282616,14,1
OADMET-0001030,COCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)n1,3.39,3.205998420715332,0.08174909063636572,344,1
OADMET-0001029,Cc1nnc(CCNC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)s1,2.7,3.466654825210571,0.10280804333647199,833,4
OADMET-0001028,CC(NC(=O)c1n[nH]c(N)c1-c1ccccc1)c1nncn1C(C)C,3.44,4.547657012939453,0.142679348468367,832,3
OADMET-0001027,Cc1nnnn1CCC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1,3.67,3.2881773471832276,0.09133921600904601,831,2
OADMET-0001026,COc1ccc(OCc2nnc([C@H]3C[C@@H](N)C3)n2C)c(Cl)c1,2.94,2.7621031761169434,0.08709554107981043,830,1
OADMET-0001025,COCCCN1CC2(CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1=O,2.39,3.2558130264282226,0.11318888071596775,829,0
OADMET-0001024,Cc1n[nH]c(SCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n1,4.24,4.368803215026856,0.1164136757290171,354,0
OADMET-0001023,COCc1ccc(C(=O)N(Cc2cccc(OC)c2OC)C2CCCC2)s1,5.58,5.130811500549316,0.10758246390267234,828,4
OADMET-0001022,Cn1ncnc1C(NC(=O)CCn1ccc(=O)[nH]c1=O)C1CC1,2.31,2.9618185997009276,0.11067064963478897,827,3
OADMET-0001021,CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c(=O)[nH]1,1.62,3.4697518348693848,0.24620326120067956,353,1
OADMET-0001020,COc1ccc(C(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)[C@H]2C[C@@H](O)C2)cn1,2.74,2.2779258251190186,0.059935996469084984,107,0
OADMET-0001019,O=C(CN1CCCCC1=O)Nc1ccc(Oc2nnn[nH]2)cc1,2.31,2.004013204574585,0.09311256278212765,10,1
OADMET-0001018,CCCOC1CCCN(CCc2c[nH]c(=O)n(C)c2=O)C1,3.34,2.8049950122833254,0.08862393039597702,826,2
OADMET-0001017,Cc1csc(NC(=O)C(C)N2CCC3(CC2)C(=O)NCCCN3C)n1,4.26,3.8460223197937013,0.07876180006841366,825,0
OADMET-0001016,CNS(=O)(=O)c1ccc(CCC(=O)NCc2nc(COC)no2)cc1,3.28,3.0212727069854735,0.12313318098757367,69,0
OADMET-0001015,CN1CCN(Cc2ccc3c4c(cccc24)C(=O)OC3)CC1c1ccccc1,4.0,4.5415044784545895,0.08954110609918117,824,3
OADMET-0001014,O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCCCn2nnnc21,4.11,4.036552810668946,0.10213018295424346,823,4
OADMET-0001013,CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc(=O)[nH]1,2.37,3.5350596427917482,0.10963174185509209,822,3
OADMET-0001012,Cc1nc(-c2ccc(CNC(=O)CC3C(=O)N(C)C(=O)N3C)cc2)no1,3.47,3.000995063781738,0.09817681890077172,821,2
OADMET-0001011,Cc1cc(C)n(CCCNC(=O)N2CCC(CS(N)(=O)=O)C2)n1,3.14,3.4706641674041747,0.20849712329782422,67,1
OADMET-0001010,CCCc1nnsc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1,5.6,5.163544178009033,0.10943172743414935,820,1
OADMET-0001009,Cn1ccnc1C(NC(=O)Cn1nnnc1N)c1ccccc1,3.21,3.2681761741638184,0.13340955232502574,179,2
OADMET-0001008,O=C(NCCn1cnnn1)c1nccnc1C(=O)N1CCCCC1,2.78,3.3874507904052735,0.05859534042758424,819,0
OADMET-0001007,CCc1oc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1CN1CCCC1,1.63,3.5989092350006104,0.11855500201975917,818,4
OADMET-0001006,CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSc1ccccn1)C2,4.26,6.229121589660645,0.28505107098306,817,3
OADMET-0001005,O=C(CN1C(=O)CNC1=O)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1,2.67,2.5014085292816164,0.18346729384569216,53,1
OADMET-0001004,O=C1NC2(CCOCC2)C(=O)N[C@H]1Cc1c[nH]cn1,2.79,2.1870352745056154,0.11036169741660001,816,2
OADMET-0001003,CC(C)c1noc(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)n1,3.49,2.911213684082031,0.12453009890515457,815,1
OADMET-0001002,CN(C)C(=O)c1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)o1,3.6,3.187523078918457,0.061461610811462904,814,0
OADMET-0001001,COCCc1noc(C(C)NC(=O)c2nonc2C)n1,2.92,2.979683017730713,0.12778133560222332,352,2
OADMET-0001000,CCN(Cc1cnn(CC)c1)C(=O)NCC1CCN(C)CC1,2.65,2.651720094680786,0.14991102229882022,178,3
OADMET-0000999,CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2ccno2)cs1,4.84,4.458632469177246,0.07314275999688077,813,4
OADMET-0000998,CCc1nccn1CCCNC(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1,2.57,2.120748233795166,0.06655922148978426,812,2
OADMET-0000997,COc1cccc(-c2ncc(CNC(=O)CC3NC(=O)NC3=O)s2)c1,3.07,3.6786739349365236,0.12114599583129164,811,1
OADMET-0000996,COc1ccc(C(NS(=O)(=O)c2ccc(C)c(C)c2)[C@H]2C[C@@H](O)C2)cn1,4.55,4.64238224029541,0.13397122190032532,107,0
OADMET-0000995,COCCNC(=O)c1cccc(S(=O)(=O)NCCc2cnccn2)c1,2.93,3.627292251586914,0.05233439102475529,810,0
OADMET-0000994,COc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC,3.14,3.1330289363861086,0.11979804587255231,177,4
OADMET-0000993,COc1ccccc1S(=O)(=O)Nc1c(C)nn(CC(=O)O)c1C,2.75,3.8183123588562013,0.13963421583795196,351,3
OADMET-0000992,CNC(=O)Cc1ccc(NC(=O)NCC2CCCN(S(C)(=O)=O)C2)cc1,3.26,3.021876096725464,0.12526140130209015,809,4
OADMET-0000991,O=C(O)c1n[nH]cc1CN1CCC(c2nnc[nH]2)CC1,3.17,2.395675230026245,0.07943443527944039,350,4
OADMET-0000990,CCn1cc(-c2ccc(C(=O)NCCCc3cccc(OC)c3)cc2)cn1,4.39,3.9858956336975098,0.04169719021858521,808,2
OADMET-0000989,CS(=O)(=O)N1CCC(Oc2ccccc2F)CC1,3.63,4.921547985076904,0.18894928339585096,349,0
OADMET-0000988,Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(C)c3nc(N)sc3c2)on1,3.79,3.642044115066528,0.10168392415944849,348,1
OADMET-0000987,CC(C)Cc1nc(CN(C)S(=O)(=O)C2CCS(=O)(=O)C2)no1,4.19,3.810144472122192,0.07225460334948332,347,2
OADMET-0000986,Cc1c(C(C)NC(=O)C(C)(C)n2cccc2)cnn1C,3.86,4.4560546875,0.10961093160477745,807,1
OADMET-0000985,CC1(c2ccccc2)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1,4.55,4.186281013488769,0.14566784439146044,806,0
OADMET-0000984,CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2coc3ccccc23)C[C@H]1O,3.92,4.442442607879639,0.141986280375625,805,4
OADMET-0000983,CC(=O)c1c(C)nn(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)c1C,2.32,2.5538792610168457,0.14658688383530638,804,3
OADMET-0000982,CCC(NC(=O)c1cnc(N)s1)c1nc(C)c[nH]1,3.01,2.5040130615234375,0.08283535184451016,803,2
OADMET-0000981,CCc1noc(CN(CC)C(=O)Nc2cccc(NS(C)(=O)=O)c2)n1,3.99,3.9116711616516113,0.14050581351476346,346,3
OADMET-0000980,Cc1n[nH]c(SCC(=O)NC(c2ccccc2)c2nnc(N)s2)n1,2.74,3.6634090900421143,0.0805558764145962,802,1
OADMET-0000979,COc1ccc(NC(=O)CCCn2cncn2)cc1NC(=O)c1ccco1,3.6,3.568401336669922,0.06801306180429373,801,0
OADMET-0000978,COc1cc(N2CCCC(c3nc4c(C)cccc4[nH]3)C2)nc(N)n1,4.25,4.785160827636719,0.10873004290871265,345,2
OADMET-0000977,O=C(Nc1ccc(Oc2nnn[nH]2)cc1)c1ccc(Cn2cccn2)o1,2.68,2.0612613677978517,0.03988043726548961,66,3
OADMET-0000976,CS(=O)(=O)Nc1cccc(NC(=O)NCC2(O)CCCCC2)c1,3.81,4.252584743499756,0.0775244991702285,106,2
OADMET-0000975,CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(=O)cc(C)o1,3.28,3.3662711143493653,0.16871832480264198,800,4
OADMET-0000974,COCc1noc(CCNC(=O)Nc2cccc3nsnc23)n1,3.64,3.8091707706451414,0.11746046496212154,344,1
OADMET-0000973,COC(=O)c1cc(C#N)c(N(C)Cc2noc(C(C)C)n2)nc1C,4.06,4.6898963928222654,0.13647689424821643,799,3
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OADMET-0000971,Cc1cc(C(=O)N[C@@H]2CCN(Cc3nc(C(C)C)no3)C[C@H]2O)no1,3.09,2.8432806968688964,0.11659984954829694,797,0
OADMET-0000970,CCc1nnc(CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)s1,4.25,4.444624710083008,0.05938148951325969,106,2
OADMET-0000969,Cc1noc(-c2ccc(S(=O)(=O)NCCCn3ccnn3)o2)c1C,3.92,4.13618311882019,0.17857563600520832,796,3
OADMET-0000968,CCCSCc1nc(-c2ccc(C)nn2)no1,3.94,3.364817476272583,0.10909840221016824,795,4
OADMET-0000967,Cc1ccc2c(C)c(C(=O)O)oc2c1C,3.13,3.2133606910705566,0.08518898288313216,134,0
OADMET-0000966,CC(C)C(=O)Nc1cccc(C(=O)NCc2noc(-c3ccco3)n2)c1,3.9,4.277326011657715,0.18034487895578466,336,1
OADMET-0000965,Cc1nonc1CNC(=O)c1cnn2cc(CCO)cnc12,2.96,2.9079501628875732,0.13610268501208497,794,3
OADMET-0000964,CN(C)c1nc(N)nc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n1,3.15,3.1855380535125732,0.14480341137490446,343,2
OADMET-0000963,c1coc(-c2noc(CNCc3cccnc3-n3cncn3)n2)c1,3.93,3.4052955150604247,0.14659026912853834,793,2
OADMET-0000962,NS(=O)(=O)c1ccc(Cl)c(NC(=O)NC2COC3(CCCCC3)C2)c1,4.39,4.219994163513183,0.07884749431356838,792,1
OADMET-0000961,Cn1cc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)cn1,2.44,2.4163198471069336,0.18026921889270558,342,3
OADMET-0000960,COCCCN1CCCC(c2nccn2CC2CCC2)C1,3.63,4.33367509841919,0.15147046468243186,791,0
OADMET-0000959,O=C(NCc1cc(C2CC2)on1)c1c[nH]c2ncnn2c1=O,2.7,2.5183881282806397,0.10760398283218633,790,4
OADMET-0000958,CNC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1,2.56,3.054932975769043,0.13744180886460416,341,4
OADMET-0000957,CN(C)CCCOc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1,3.56,3.2896199226379395,0.14880008521596294,340,0
OADMET-0000956,N#Cc1cccnc1N1CCC(NC(=O)C2CCC(=O)NC(=O)N2)CC1,2.94,2.834074592590332,0.215115617740849,789,3
OADMET-0000955,COc1cccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)c1OC,3.66,3.92313756942749,0.10883361594936901,788,2
OADMET-0000954,Cc1cc(=O)cc(C(=O)NCCCc2csc(N)n2)[nH]1,2.48,3.3810454845428466,0.1477076434017844,339,1
OADMET-0000953,CC(C)c1noc(C(C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n1,2.73,2.808611297607422,0.1016680302316048,787,1
OADMET-0000952,Fc1cc(-c2ccc(Cn3ccnc3)cc2)c2ncccc2c1,3.99,4.369733905792236,0.1413437365591745,786,0
OADMET-0000951,Cc1n[nH]nc1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C,3.33,2.9998905658721924,0.11149093144243752,785,4
OADMET-0000950,Cc1nc(C(C)NC(=O)c2cccn2C)c(C)s1,3.79,3.8563966274261476,0.1655799712298823,784,3
OADMET-0000949,Cc1cc(C)n(CC(=O)NCC2CCN(C(=O)c3csc(N)n3)CC2)n1,3.08,3.494823694229126,0.14744248066346077,338,1
OADMET-0000948,Cc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC(N)=O)CC1,3.13,2.895165967941284,0.147276780643386,783,1
OADMET-0000947,COc1ccc(-c2cn(CCn3[nH]c(=O)c4ccccc4c3=O)nn2)cn1,2.15,4.023706007003784,0.05046820631190719,782,4
OADMET-0000946,CNC(=O)c1noc(CN2CCC3(CC2)Nc2ccccc2NC3=O)n1,2.52,2.5286399841308596,0.1096179545968537,781,4
OADMET-0000945,CNc1nc(C)cc(-c2ccc(C(=O)NCCc3n[nH]c(=O)n3C)cc2)n1,3.26,3.1263968467712404,0.0832827049137215,780,0
OADMET-0000944,O=C(CCc1nc2ccccc2nc1O)NCc1n[nH]c(=O)[nH]1,2.54,2.6515300273895264,0.061777303252893837,779,4
OADMET-0000943,CCc1nc(CN(C)C(=O)NCc2nc(C(=O)NC)no2)no1,2.61,2.1822882175445555,0.08555221729523711,68,2
OADMET-0000942,CCc1ccc(-c2cc(C(=O)NCCCc3nnn[nH]3)[nH]n2)cc1,2.26,2.7965476512908936,0.11493649306139121,337,2
OADMET-0000941,COc1cccc(-n2cc(CN(C)C(=O)c3c[nH]nc3-n3cnnn3)cn2)c1,3.86,4.22499828338623,0.0758466999656439,778,3
OADMET-0000940,CCc1nc(CC2CN(C(=O)CN3C(=O)OC(C)(C)C3=O)CCO2)no1,3.09,2.68597092628479,0.1237633256102078,777,2
OADMET-0000939,CCCN(CCC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1,4.76,4.7854413986206055,0.10171645264050834,776,1
OADMET-0000938,Cn1c(C(=O)NCCCc2nnc(N)s2)cc(=O)n(C)c1=O,2.34,2.4194056034088134,0.08568962202477604,176,0
OADMET-0000937,Cc1nccc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)n1,2.83,3.3810504913330077,0.06571540998117396,775,0
OADMET-0000936,Cc1nc(N(C)C)ncc1C(=O)NCc1noc(-c2ccco2)n1,3.96,3.7939312934875487,0.10186524668047667,336,1
OADMET-0000935,Cc1cc(=O)[nH]c(SC(C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1,2.59,2.2992935180664062,0.10202191048283375,774,4
OADMET-0000934,COCc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc([C@H]2C[C@@H](N)C2)n1,2.14,2.627271795272827,0.09028283784546916,773,3
OADMET-0000933,Cc1cc(C)n(CCNS(=O)(=O)c2cc(-c3ccno3)ccc2C)c(=O)n1,4.05,4.141750001907349,0.0911761944631577,772,2
OADMET-0000932,COCCc1noc(CN(C)Cc2c[nH]nc2C(=O)O)n1,2.64,3.040438413619995,0.08567273243102172,771,1
OADMET-0000931,Cc1nc(CNC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c1CCCC2,4.35,3.830902338027954,0.03620090613396098,770,0
OADMET-0000930,CCn1cnnc1CCNC(=O)c1cnc2c(c1)nc(N)n2CC,2.76,2.6331951141357424,0.13146556602202011,335,0
OADMET-0000929,O=C(NCc1n[nH]c(=O)[nH]1)Nc1cccc(OCC(=O)N2CCOCC2)c1,2.13,2.6928465366363525,0.045838064516758294,175,2
OADMET-0000928,CC(Cn1cncn1)C(=O)N1CCCN(C(=O)c2c[nH]c(=O)[nH]2)CC1,1.88,2.4785204410552977,0.13805508417652876,769,3
OADMET-0000927,CC(=O)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)[nH]n1,2.32,2.3858357429504395,0.03277385018030175,768,1