openadmet_id,smiles,true_pEC50,pred_pEC50_mean,pred_pEC50_std,butina_cluster,fold
OADMET-0006089,CC1C2CCCCC2CN1C(=O)c1cc(F)cc2c1CNCC2,5.27,4.889085578918457,0.11273972001400082,2976,0
OADMET-0006088,CN(C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)C1CCNC1,5.08,4.726076602935791,0.028739645055969296,2975,1
OADMET-0006087,O=C(C1CCCC1)N1CC(S(=O)(=O)NC2CC2c2c(F)cccc2F)C1,5.12,4.888858985900879,0.115888577683905,2974,3
OADMET-0006086,CC1CN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CCN1c1nccn2cnnc12,5.23,4.874266624450684,0.0903229202120108,2973,4
OADMET-0006085,CC1(c2noc(C3=NN(Cc4ccc(F)cc4)C(=O)CC3)n2)CCC1,5.28,4.973809242248535,0.09685963933828486,2972,0
OADMET-0006084,COc1ncnc(OC)c1C(=O)N1CCC(Cc2ccc(F)cc2)C1,4.5,3.609010934829712,0.16754965639253652,105,2
OADMET-0006083,CCS(=O)(=O)N1CCC(c2ccccc2)(c2nc(Cc3cnc(C4CC4)o3)no2)CC1,4.66,4.827566337585449,0.12128846089419405,717,3
OADMET-0006082,Fc1ccc(C2CCC(n3cc(C4CCNCC4)nn3)C2)cc1F,5.18,3.982857275009155,0.11963648088381088,2971,1
OADMET-0006081,CC(C)c1ccc(CNC(=O)NCC2CC3(CC3)S(=O)(=O)N2)cc1,4.31,3.8783516883850098,0.10219664176396533,2970,2
OADMET-0006080,Cc1nnc2ccc(-c3noc(C4CC(C)(C)Oc5ccccc54)n3)cn12,4.24,4.151072978973389,0.10858057037548685,280,0
OADMET-0006079,CN(CC1CCCCC1O)C(=O)NCC1CCN(CC(F)(F)F)CC1,5.3,4.655897903442383,0.1498051467466607,2969,3
OADMET-0006078,CCCOc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cc1,4.19,4.9614921569824215,0.08469591719238302,2968,4
OADMET-0006077,COCC(NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(Br)c1,5.07,5.4627608299255375,0.16286783877702218,2967,0
OADMET-0006076,Cc1ccc(NCc2cccc3ccccc23)cc1-n1cnnn1,5.12,5.264887046813965,0.07149193663414571,2966,1
OADMET-0006075,O=C(Cc1cc2cc(Cl)ccc2[nH]1)N[C@H]1CCCc2cccnc21,5.03,4.933461093902588,0.10354681923022188,268,1
OADMET-0006074,Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(C3CCCO3)C2)c1,5.14,5.1011124610900875,0.10709849396249241,287,4
OADMET-0006073,O=C(CNS(=O)(=O)c1ccccc1F)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1,5.07,4.880213451385498,0.14252294811569866,2965,2
OADMET-0006072,Cc1nocc1Cc1noc(-c2cccn(CC(C)C)c2=O)n1,5.44,4.67170524597168,0.10856496497428056,766,1
OADMET-0006071,Cc1cc(F)ccc1Cc1noc(C2CCc3nccn3C2)n1,3.96,4.384660816192627,0.09322176282755544,2964,3
OADMET-0006070,COC(c1noc(Cc2cc(C)on2)n1)c1ccccc1Cl,4.36,5.08214807510376,0.07963587684273842,2963,4
OADMET-0006069,CC(C)Oc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)C1=O,5.19,5.252418518066406,0.15960331056635263,99,3
OADMET-0006068,O=C1CCCN1[C@H]1CCCC[C@H]1c1nc(-c2cnn(CCF)c2)no1,4.76,4.702905082702637,0.17648891873237607,2962,0
OADMET-0006067,COc1cc(NCCNC(=O)c2cnn3c2NCCC3)cc(OC)c1,4.74,4.724551010131836,0.14222893094066727,2961,1
OADMET-0006066,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CC2(CC=CC2)C1c1ccccc1,5.02,5.204208564758301,0.08396385796867434,291,4
OADMET-0006065,Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC3(CCC3)C2)c(C)cc1Cl,5.2,5.611553478240967,0.16571504808126958,2960,2
OADMET-0006064,CC(C)(C)OC(=O)N1CC2(CCCC2)CCC1CN1CCCN(C(N)=O)CC1,4.61,5.036005687713623,0.21947397599489593,2959,3
OADMET-0006063,CCc1nn(Cc2cccc3c2CCOC3)c(=O)c(C#N)c1CC,5.44,5.044384765625,0.1454304278730259,641,3
OADMET-0006062,O=C(NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cnc2ccccc2c1,4.81,3.806814956665039,0.1341348888720445,2958,4
OADMET-0006061,Cc1nccn1-c1ncccc1CNC1CCCc2ccc(F)cc21,4.69,5.1069639205932615,0.10948084060956177,2957,0
OADMET-0006060,CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(Br)o1,4.87,4.975053787231445,0.124135174171461,300,0
OADMET-0006059,CCC(=O)NC(C(=O)N1CC=C(c2cccs2)CC1)c1ccccc1,4.45,4.645924758911133,0.11560197288961123,2956,1
OADMET-0006058,O=C(NC1(c2c(F)cccc2F)CCC1)C1CNCc2ccccc21,5.26,5.321022415161133,0.14342960697468576,2955,2
OADMET-0006057,CCOc1ccc(C(=O)N(C)CCc2ccc(O)c(OC)c2)cc1C,4.48,5.099616432189942,0.0511388086869795,2954,1
OADMET-0006056,COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCc1n[nH]c2ccccc12,4.58,4.184227848052979,0.09697060122416613,2953,0
OADMET-0006055,CC(C)Cn1cc(C(=O)N2CCCC2c2ccc3c(c2)OCO3)cn1,4.95,5.383836364746093,0.021946969926280133,746,4
OADMET-0006054,Cc1cnn(C)c1S(=O)(=O)N(C)CCNc1ccccn1,4.68,4.13144702911377,0.12411564139934157,2952,4
OADMET-0006053,Cc1cccc(C2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1,5.31,5.138118648529053,0.06520053200828355,767,2
OADMET-0006052,CCN1N=C(c2ccccc2)C(C(=O)Nc2ccccc2F)C1=O,4.6,4.1740998268127445,0.08876675980222327,2951,4
OADMET-0006051,CCCOC1(c2noc(-c3cc(=O)[nH]c(C4CC4)n3)n2)CCCCC1,5.11,4.641072082519531,0.03994988064714428,2950,0
OADMET-0006050,O=C1NC(Cc2ccccn2)C(=O)N1CCc1cccc2cccnc12,5.18,4.840263557434082,0.10197105313305685,2949,1
OADMET-0006049,CC(Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCC(F)(F)F,4.85,4.5301135063171385,0.11017373461528258,2948,2
OADMET-0006048,CN(C)c1cccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1,4.99,4.437314128875732,0.2206099589783465,2947,3
OADMET-0006047,COc1ccc(CC(=O)NC(c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1,4.93,5.523542881011963,0.10016491662690573,2946,4
OADMET-0006046,CNC(=O)c1ncoc1C1C2CC1N(C(=O)Cc1ccc(Cl)cc1Cl)C2,5.13,4.780390739440918,0.08273671492610096,2945,0
OADMET-0006045,O=C(Cc1noc2ccccc12)NC1CCCN(Cc2ccc(F)cc2F)C1=O,5.42,5.0350545883178714,0.05907762319461806,65,4
OADMET-0006044,C#CC(C)(C)N1CCN(S(=O)(=O)N2CC3CCC2C3)CC1,4.93,4.475794982910156,0.15021376930020844,2944,1
OADMET-0006043,O=C1CCCN1CC(NCc1n[nH]c2ccccc12)c1ccccc1,4.72,5.029646301269532,0.1064283287934017,729,4
OADMET-0006042,COC1(C)CCCN(C(=O)c2ncccc2NCC2CCC2)CC1,5.24,5.963746166229248,0.10122008942370377,2943,2
OADMET-0006041,COc1ccc2nc(C(=O)N(C)CCc3ccc(F)cc3)ccc2c1,5.09,4.863850688934326,0.10448037802510714,2942,3
OADMET-0006040,CCOC(=O)c1c(NC(=O)CN(C)Cc2ccon2)sc(C(N)=O)c1C,5.3,4.369436645507813,0.14353452573534206,2941,3
OADMET-0006039,O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCC(N2CCNC2=O)C1,4.18,4.004371786117554,0.09487407587627658,728,0
OADMET-0006038,O=C1c2ccccc2CN1CC(=O)N1CCCC1c1nc2ccccc2s1,4.94,5.087205314636231,0.05741649159942288,2940,0
OADMET-0006037,Cc1cccn2c(=O)cc(Cn3cc(C(O)c4ccccc4)nn3)nc12,4.74,4.905449962615966,0.04511549513721413,741,1
OADMET-0006036,CC(C)Cn1cccc(-c2nc(-c3coc(C4CCC4)n3)no2)c1=O,5.2,4.744043159484863,0.0707987987676485,766,1
OADMET-0006035,N#Cc1ccc(CCSc2ccc(C(=O)N3CCCC3)cn2)cc1,5.53,4.487418460845947,0.08170400269296405,2939,1
OADMET-0006034,CC1(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CCCCC1,4.93,5.115983867645264,0.09040566011234946,2938,2
OADMET-0006033,CC1c2c(F)cccc2CCN1C(=O)Nc1ccc(-n2cccn2)nc1,5.14,4.956154537200928,0.12526419467989777,2937,3
OADMET-0006032,CON(C)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1,4.76,4.569438076019287,0.10939539735756687,2936,4
OADMET-0006031,CC(C)(C)OC(=O)NCc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1,4.42,3.3530720233917237,0.18204409339063146,2935,0
OADMET-0006030,CC1(C)CN(c2cc(-c3ccccc3)nc3ncnn23)CC2(CCOC2)O1,5.06,4.51443567276001,0.18497505387656668,2934,1
OADMET-0006029,Cc1c(CNC(=O)C(c2ccccc2)N2CCC(O)CC2)oc2ccc(F)cc12,4.74,5.109241199493408,0.08193382786295905,76,2
OADMET-0006028,Cc1cc(C(=O)NC2(c3ccccn3)CC2)nn1-c1cccc(Cl)c1,5.23,5.387861251831055,0.09759347556313304,2933,2
OADMET-0006027,COCc1cc(Cn2cc(C34CC5CC(CC(C5)C3)C4)nn2)no1,5.23,5.0586181640625,0.1413160389481478,2932,3
OADMET-0006026,O=C(Nc1cc2n(n1)CCCC2)c1cccc(C2CCOC2)c1,4.64,5.011135578155518,0.0899861406423418,2931,2
OADMET-0006025,Cc1conc1CS(=O)(=O)N(C)C(c1ccccc1)C(F)(F)F,5.22,4.9477355003356935,0.08622930053513668,2930,3
OADMET-0006024,Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(OC(F)F)cc2)nn1,4.61,4.719358444213867,0.06769608754187131,2929,4
OADMET-0006023,CCc1ccc(C2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)o1,4.98,5.00570592880249,0.027434560895810003,2928,2
OADMET-0006022,Cn1nccc1C12CCC(C1)C2C(=O)NCCCc1c[nH]nc1C(F)(F)F,4.97,4.2148621559143065,0.10828323159661211,2927,4
OADMET-0006021,Cc1cccc2cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)oc12,4.93,5.001147937774658,0.038673952882412765,108,0
OADMET-0006020,CC1(c2nc(-c3csc(C(F)(F)F)c3)no2)CCNC(=O)C1,5.07,4.321461296081543,0.18873929108803905,2926,0
OADMET-0006019,O=C(NCCc1c[nH]c2cc(F)ccc12)C1COc2ccccc21,4.73,5.04414119720459,0.10913989930398063,2925,1
OADMET-0006018,Cc1ccc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)nc1C,4.63,4.146418285369873,0.07897696173034224,108,0
OADMET-0006017,COc1ccc2nc(CN3CCCC(N4CCCC4=O)CC3)sc2c1,5.16,4.119437980651855,0.09937812302093273,2924,2
OADMET-0006016,CC(C)c1ncncc1C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1,4.26,4.3378098487854,0.16450311868895848,2923,3
OADMET-0006015,CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cc(-c4ccco4)nn3C)cc(C3CC3)nc21,4.51,4.409781837463379,0.11050964277087189,731,3
OADMET-0006014,Cc1noc(C)c1-c1cn(C(C(=O)N(C)C)c2ccccc2)nn1,5.39,4.43777322769165,0.10316393633044464,2922,4
OADMET-0006013,NS(=O)(=O)N1CCCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,4.34,3.6752477169036863,0.16493198346089527,136,3
OADMET-0006012,CCC(NC(CO)Cc1ccc(F)cc1)c1ccccc1F,4.93,5.19481897354126,0.18087177945025795,2921,0
OADMET-0006011,c1ccc(-c2cc(NC3COC(C4CC4)C3)n3nccc3n2)cc1,5.11,4.925327777862549,0.10171779904186268,2920,1
OADMET-0006010,CCn1c(-c2cc(C)oc2C)nnc1N(C)CCCSC,5.28,4.7850744247436525,0.028655914498131218,2919,2
OADMET-0006009,COc1ccc2c(c1)CC(c1nnc(-c3ccccc3F)o1)CO2,4.11,4.445811653137207,0.05508060086029847,2918,3
OADMET-0006008,CCc1nocc1Cn1cc(-c2ccccc2OC)nn1,4.81,4.692818641662598,0.06081261604375004,59,0
OADMET-0006007,O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCCc1nc2ccccc2s1,4.99,3.6333992958068846,0.0384987003510507,2917,4
OADMET-0006006,CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CN1C(=O)CCOc2ccccc21,4.81,4.709637069702149,0.08187180746902516,302,0
OADMET-0006005,CNC(=O)C(NC(=O)c1cc(C)ccc1O)c1ccccc1,4.4,4.477857303619385,0.09550233521116824,427,1
OADMET-0006004,O=C(C1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC2(CC1)OCCO2,4.69,4.948794937133789,0.10777986922123992,2916,0
OADMET-0006003,CCCCC(=O)N1CSCC1C(=O)N1CCC[C@]1(C)C(=O)OC,4.38,4.989219665527344,0.1814969041906736,2915,1
OADMET-0006002,Cc1ccccc1C(C)Cc1nc(-c2ncoc2C)no1,4.61,4.689256954193115,0.07895907690401012,2914,2
OADMET-0006001,CC1(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCCN(C(=O)c2ccccc2)C1,5.16,4.768423843383789,0.15533559133467842,2913,3
OADMET-0006000,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C(O)C1CCCCC1,5.22,5.14110631942749,0.06470810949850811,2912,4
OADMET-0005999,Cc1csc(C(O)(CC(=O)N2CCC(c3ccccc3C)CC2)C(F)(F)F)n1,4.98,4.940853118896484,0.0591794299736868,2911,0
OADMET-0005998,CNC(=O)c1ccc(CN(C)C(=O)NC2CCCN(c3cccc(F)c3)C2)cc1,4.83,4.366133022308349,0.08481885747798172,765,1
OADMET-0005997,CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nnc2n1CCCCC2,5.11,4.194431114196777,0.0926628508030251,2910,1
OADMET-0005996,CN(C)C(=O)C(Cc1ccccc1)NCc1cccc2[nH]ccc12,4.85,4.297303295135498,0.04119389260925691,2909,2
OADMET-0005995,CC(C)(C)c1ccc(Cl)cc1NC(=O)c1ccn(C2CCOCC2)n1,5.1,5.1216733932495115,0.142552978800279,2908,3
OADMET-0005994,C=C1CC(C)(C(=O)N[C@H]2CCCCC[C@H]2NC(=O)C2(C)CC(=C)C2)C1,5.16,5.9722825050354,0.14527336616290956,2907,1
OADMET-0005993,Cn1c(-c2nc(C3(c4ccc(F)cc4)CCC3)no2)cccc1=O,5.08,4.915213108062744,0.0957462809553666,334,0
OADMET-0005992,COc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1C,4.56,4.5179667472839355,0.08357202939847692,2906,0
OADMET-0005991,COc1ccc2[nH]nc(NC(=O)C3(c4ccccc4)CCCO3)c2c1,4.65,5.164450073242188,0.08059139574862356,333,1
OADMET-0005990,CC(=O)NCc1ccc(-c2csc(C3CCCN(C(C)=O)C3)n2)s1,4.84,4.282548809051514,0.09928327888565121,188,0
OADMET-0005989,COc1ncccc1C(=O)NC1(c2ccccc2F)CC1,4.7,5.365655422210693,0.08217450599471333,764,0
OADMET-0005988,CSc1cc2c(cc1NC(=O)N1CCCC3(CCOCC3)C1)OCCO2,4.52,4.75021390914917,0.04350683466179254,140,0
OADMET-0005987,COC1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1,4.83,4.801745796203614,0.12464371528897952,306,3
OADMET-0005986,CCOc1c(Cl)cc(C(=O)NC(C)c2noc(-c3ccccc3)n2)cc1OC,4.63,4.744782543182373,0.05813152362310368,755,0
OADMET-0005985,C#Cc1ccnc(N(CC)C(=O)c2cccc(OCCOC)c2)c1,4.82,4.500147914886474,0.08009867954708445,763,2
OADMET-0005984,O=C(c1c[nH]c2ncc(Br)cc12)N1CCCC(n2ccnc2)C1,5.35,2.660157346725464,0.12390912350035195,2905,0
OADMET-0005983,CN(C)C(=O)C(OC(=O)c1c(F)cc(O)cc1F)c1ccccc1,4.56,4.711564350128174,0.08824603133224873,2904,1
OADMET-0005982,CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccn(C)n1,4.42,4.416998672485351,0.041583302874908745,2903,2
OADMET-0005981,O=C(NCC1(c2ccccc2)CCCO1)c1ccc2[nH]cnc2c1,4.5,4.5473511695861815,0.07287610473958002,70,0
OADMET-0005980,Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nccn(C)c3=O)c12,4.42,4.080666160583496,0.1192292289768043,520,3
OADMET-0005979,Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cnn(C(C)C)c1,5.2,5.517749977111817,0.04927059194422921,285,4
OADMET-0005978,Cc1cc(C)c(C(=O)N(Cc2cnn(C)c2)CC(C)C)c(C)n1,4.26,4.476982975006104,0.15459128405100772,362,4
OADMET-0005977,O=C(Nc1nc(C2CC2)cs1)c1cn(CCc2ccccc2)nn1,5.36,4.855688571929932,0.07871497163550378,2902,3
OADMET-0005976,CC(C)(C)c1csc(C2CN(C(=O)c3cccc(C(=O)O)c3)CCO2)n1,5.0,3.83870530128479,0.16689081664939004,2901,4
OADMET-0005975,O=C(Nc1ccc(F)nc1)N1CCC(Cc2ccc(F)cc2)C1,4.71,3.9802423477172852,0.06474628069061279,105,2
OADMET-0005974,COCCOc1cccc(C(=O)N(C)c2ccc(C(=O)OC)cc2)c1,4.06,4.402188014984131,0.05283975420991919,763,2
OADMET-0005973,O=C(NCc1cccc(OC(F)(F)F)c1)NC1CC12CCOCC2,4.68,4.487316036224366,0.07529921769101014,2900,0
OADMET-0005972,COc1ccc2c(ccn2CC(=O)NCC2(N3CCOCC3)CCCCC2)c1,5.11,4.7252686500549315,0.06364357315696245,91,2
OADMET-0005971,COc1ccccc1Nc1ncccc1C(=O)NCC1(C(N)=O)CCOCC1,4.68,3.9183037281036377,0.07415549560130295,2899,1
OADMET-0005970,Cc1cnn(C2CCN(C(=O)NCC(C)c3ccc(F)cc3)C2)c1,4.46,4.721938705444336,0.10985879034534428,174,2
OADMET-0005969,Cc1oc2ccccc2c1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1,4.57,4.741022682189941,0.11643358683116861,2898,2
OADMET-0005968,CCc1nn(C)cc1NC(=O)C1CCN(c2ccccc2Cl)C1,3.85,4.242685699462891,0.082361844220945,97,0
OADMET-0005967,O=S1(=O)CCC2(CCCN(Cc3cnc(-c4ccccc4)o3)C2)C1,5.2,4.432265567779541,0.09901414846856052,136,3
OADMET-0005966,CC(Nc1cccc(NC(=O)CO)c1)c1nc(-c2ccccc2)no1,4.34,4.902619171142578,0.0706636161650163,762,4
OADMET-0005965,Cn1nnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,5.07,4.464527893066406,0.21489519176533023,2897,3
OADMET-0005964,CC(c1nnnn1C)N1CCOC(c2ccc(Cl)c(Cl)c2)C1,5.22,4.55344409942627,0.18737730139490535,2896,4
OADMET-0005963,COc1ncc(C(=O)N2CCC2c2cccc(F)c2)cc1Cl,5.0,5.295738887786865,0.07677161017356737,170,1
OADMET-0005962,Brc1ccc(C2(CNC(c3cccnc3)c3ncc[nH]3)CCOCC2)cc1,4.51,4.196915149688721,0.04595308425661494,2895,0
OADMET-0005961,COC(=O)c1cnc(NC2CCCCCN(C(=O)C3CCC3(F)F)C2)nc1,4.61,3.6764063358306887,0.17500155731466405,2894,1
OADMET-0005960,Cc1ccnc2nc(C(=O)N(Cc3ccco3)C3CCCC3)nn12,4.42,5.1469744682312015,0.08508901554089295,2893,2
OADMET-0005959,Cc1c(C(=O)N2CCCCC2CNC(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1,4.53,4.534407234191894,0.16853937481932676,2892,3
OADMET-0005958,Cc1cc(NC(=O)C2(C)CCCO2)n(-c2cccc(Br)c2)n1,5.09,5.407205963134766,0.0370836298394296,2891,4
OADMET-0005957,O=C(CCc1ccccc1)N1CCCN(C(=O)C2COc3ccccc32)CC1,5.31,5.421087455749512,0.06973814914147981,2890,0
OADMET-0005956,COc1cc(C)ccc1NC(=O)c1cccc(-c2ncn[nH]2)c1,4.45,4.575480937957764,0.16704021679268075,23,3
OADMET-0005955,CC(C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccccc2)CC1,4.87,4.375868129730224,0.13989254093242487,2889,1
OADMET-0005954,COc1cccc(C2CN(C(=O)CNC(=O)c3ccc(C)c(C)c3)CCO2)c1,4.91,4.708027267456055,0.0827095349194574,102,2
OADMET-0005953,COCCOC1CC(CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1,5.52,4.903200912475586,0.12856891278713822,671,0
OADMET-0005952,O=C(Nc1ccc(C2CC2)nn1)NC1(c2cccc(OC(F)(F)F)c2)CC1,5.03,5.215434837341308,0.15712485670741638,2888,2
OADMET-0005951,CCOC1CC(NC(=O)c2ccnc(-n3cccn3)c2)C12CCCC2,4.8,5.058542633056641,0.09808610625814984,2887,3
OADMET-0005950,COCCNc1ccc(CNC(=O)N2CCCC3(CCCC3)CC2)cc1,4.83,4.829883670806884,0.04021142040714648,2886,4
OADMET-0005949,Cn1cccc1C1CCCCN1C(=O)CCN1C(=O)COc2ccccc21,5.28,5.245416069030762,0.06301005942165096,40,1
OADMET-0005948,COc1ccc(C)cc1S(=O)(=O)N1CC(O)CC1c1ccc(F)cc1,5.04,5.550229740142822,0.10022905305282387,679,4
OADMET-0005947,c1cnc2c(c1)CCC[C@H]2n1cc(COC2CCCCO2)nn1,5.18,4.831243801116943,0.07450632725745372,761,3
OADMET-0005946,Fc1cccc(Cl)c1CCc1noc(C2(n3cccn3)CC2)n1,5.06,5.536705017089844,0.0739003120217035,2885,4
OADMET-0005945,CCOc1ccccc1C(F)(F)C(=O)N1CCC(NC(=O)C2CC2)CC1,5.26,4.8287585258483885,0.09731752678909172,2884,1
OADMET-0005944,O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc2c(c1)OCCO2,5.24,4.584525775909424,0.14947869686050574,2883,1
OADMET-0005943,Cc1c(C(=O)N2CCCN3c4ccccc4CC3C2)c(O)nc2ccccc12,5.0,5.715018844604492,0.06647256864583283,2882,0
OADMET-0005942,CC1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1C(=O)O,4.41,4.561088275909424,0.07169211299924415,169,0
OADMET-0005941,Cn1nc(CNC[C@@H](O)c2ccc(Cl)cc2)c2ccccc21,5.07,4.729086208343506,0.0707376080904035,525,2
OADMET-0005940,CC(C)c1nc(C(=O)N2CCC=C(F)C2)nn1-c1ccccc1F,5.22,4.936456203460693,0.10017770895621014,754,1
OADMET-0005939,Cn1ncc(NC(=O)N2CCCC(C)(F)C2)c1-c1ccccc1,4.44,5.578157520294189,0.07900986645442619,2881,0
OADMET-0005938,O=C(NCC1CCOc2ccccc21)N1CCOC(c2ccccc2F)C1,4.82,5.070198345184326,0.13342781302373205,290,2
OADMET-0005937,COC1CCCN(C(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC1,4.89,4.734944438934326,0.11196545827983982,760,2
OADMET-0005936,COc1cc(C#N)ccc1OCC(=O)N1CCCC1C1CCCC1O,4.97,5.068502712249756,0.09378949088974924,2880,1
OADMET-0005935,CC(c1cc2ccccc2o1)N(C)C(=O)c1cn(C)nc1C(C)(C)C,4.49,5.240901374816895,0.10104612048545221,2879,2
OADMET-0005934,CN(Cc1ccoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,5.25,5.059176731109619,0.11873837075232474,2878,3
OADMET-0005933,CC(NC(=O)N1CCC(C)C1CO)c1ccc(F)cc1Cl,5.18,5.668112659454346,0.08558865275823611,2877,4
OADMET-0005932,O=C(NCC(Cc1ccccc1)Cc1ccccc1)N1CCC(O)C(F)(F)C1,4.94,4.637103080749512,0.19638760444628392,756,4
OADMET-0005931,Cc1ccccc1C1(C(=O)N2CCCC(O)(c3c[nH]nn3)C2)CCCC1,5.21,5.135689640045166,0.12631020428633874,2876,0
OADMET-0005930,Cc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)nn1-c1ccc(Cl)cc1Cl,5.19,5.286682415008545,0.09310847858408265,2875,1
OADMET-0005929,O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CCC2CCCC21,5.38,5.049822521209717,0.07323235486980863,2874,2
OADMET-0005928,CC(O)C(C)(CNC(=O)C1CCCN1C)Cc1ccccc1,4.44,4.890675735473633,0.11740095504694989,2873,3
OADMET-0005927,COc1ccc(CCCNC(=O)N2C(C)CCC2C)cc1OC,4.63,5.416271686553955,0.12714640720901818,26,0
OADMET-0005926,Cn1nnc2cc(C(=O)N(CC3CCCCC3)c3ccccn3)cnc21,5.25,5.12465763092041,0.04830496659480293,723,2
OADMET-0005925,Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCN(C(=O)C2CC2)CC1,4.02,5.106695461273193,0.09847622640656555,62,4
OADMET-0005924,COc1cc(C(=O)N(Cc2ccccc2)C2CC(C)(C)OC2(C)C)on1,4.48,4.858963871002198,0.14207437463768519,759,3
OADMET-0005923,COc1cccc(CNC(=O)c2cccn(Cc3ccccc3)c2=O)n1,5.53,4.719368934631348,0.10772173045536516,2872,4
OADMET-0005922,CCc1cc(NC(=O)c2coc3ccc(OC)cc23)n(C)n1,4.26,4.075722885131836,0.11994362786021459,2871,0
OADMET-0005921,CC(O)(Cn1ccccc1=O)C(=O)N1CCc2ccc(Cl)cc2C1,4.6,4.611288261413574,0.08238049888676088,2870,1
OADMET-0005920,COC(C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CC1,5.41,4.740358066558838,0.06743549931730214,2869,2
OADMET-0005919,Cc1sc2ncn(NC(=O)COc3ccc(C(N)=O)cc3)c(=O)c2c1-c1ccccc1,4.54,4.426354789733887,0.22213939526630128,2868,3
OADMET-0005918,Cc1cccc(NC(=O)C2CCCN(c3nc4ccccc4s3)C2)n1,4.77,5.054759979248047,0.05895158313776269,401,0
OADMET-0005917,Cc1cccc(C(=O)N2CCCN(C(=O)c3nn(C)c(C)c3Cl)CC2)c1,4.67,4.913021183013916,0.07591325100809418,2867,4
OADMET-0005916,CC(C)Cn1cnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1,4.64,5.361993217468262,0.05987820291006866,561,3
OADMET-0005915,COC1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)C(C)C1,4.67,5.361291027069091,0.17770617853584963,2866,0
OADMET-0005914,Cc1c(N2CCC(C3CC3)C2)ncnc1N1CCC(C2CC2)C1,3.92,4.980738735198974,0.2160707454575037,2865,1
OADMET-0005913,Cc1cccc(C2CCCN2C(=O)NCc2ccsc2)n1,4.48,4.904552555084228,0.05293484910111765,148,2
OADMET-0005912,CS(=O)(=O)c1cccc(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)c1,5.1,4.73214054107666,0.08049340505949602,2864,2
OADMET-0005911,O=S(=O)(NC1CC(O)C12CCC2)c1ccc2c(c1)CCCC2,5.23,5.250510215759277,0.10692309102977395,2863,3
OADMET-0005910,O=C(Cc1ccccc1)NCCC(=O)N1CCCC1CC(O)c1ccccc1,4.57,5.020361804962159,0.13589128921620228,173,4
OADMET-0005909,COC(=O)C1CCn2c(CCCOc3ccc(Cl)cc3C)nnc2C1,4.77,4.508967685699463,0.09087311558204934,2862,4
OADMET-0005908,Cc1ccc2oc(C(=O)N(C)C3CCCCC3S(C)(=O)=O)cc2n1,4.87,4.477449893951416,0.1365903600457388,2861,3
OADMET-0005907,CC(C)Oc1cncc(C(=O)N2CC(C)OCC2c2ccccc2)c1,4.83,4.9126973152160645,0.07301585761568687,2860,2
OADMET-0005906,COc1ccc(Cl)c(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1,4.89,5.113042545318604,0.04575303096362629,2859,1
OADMET-0005905,Cc1noc(C)c1CC(=O)N(Cc1ccccc1)C1CC(C)(C)OC1(C)C,4.67,4.8066154479980465,0.17567618555295975,759,3
OADMET-0005904,CN1CCN(C(=O)CCc2nc3ccccc3o2)C(c2ccccc2)C1,4.39,4.401509857177734,0.08958276915516833,758,1
OADMET-0005903,COc1ccc2c(c1)N(C(=O)c1ccnc(C3CC3)c1)CCO2,4.38,4.725721073150635,0.0736780133985495,2858,1
OADMET-0005902,CC(=O)Nc1cccc(OCCNC2[C@H]3CCC[C@H]3C2(C)C)c1,4.73,5.06603307723999,0.24727792475688412,751,3
OADMET-0005901,CC(C)n1ccc(CN2CCCNC(=O)C2Cc2ccccc2)n1,4.26,4.802280616760254,0.06222962739470241,101,1
OADMET-0005900,COc1cccc2c(N3CCOC(CN(C)C)C3)nccc12,4.45,3.720035028457642,0.202300423695857,2857,2
OADMET-0005899,O=C(NCc1cccc(N2CCOCC2)n1)c1csc2c1CCCC2,4.59,5.316621875762939,0.08776821330019688,702,1
OADMET-0005898,CC(C)Cn1cc(NC(=O)N2CC[C@H](Oc3ccccc3)C2)cn1,4.15,4.65115442276001,0.1635670058991862,258,3
OADMET-0005897,CC1Oc2ccccc2OC1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1,4.75,4.904901695251465,0.16524628123270416,332,2
OADMET-0005896,Cc1cccc(C2CCCN2C(=O)CCc2cnn(C)c2)c1C,4.86,5.101119709014893,0.12132663995592147,209,4
OADMET-0005895,CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCC2,5.25,5.478939342498779,0.12317807901888322,2856,3
OADMET-0005894,CC(NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccc(F)cc2)C1,4.71,3.9666937828063964,0.11335527675555374,105,2
OADMET-0005893,Cc1oc(C#N)cc1C(=O)N1CCN(CC(F)(F)F)CC(C)C1,5.01,5.0986552238464355,0.08590315132360328,2855,4
OADMET-0005892,CC(C)N(C(=O)c1ccnn1C(C)C)c1ccc(Br)cn1,5.1,5.061350727081299,0.054871133361310914,2854,0
OADMET-0005891,CN(C(=O)c1noc2c1CCCCC2)c1ccc(-c2ccccc2)nn1,5.11,5.1231489181518555,0.07749728979553096,2853,1
OADMET-0005890,COc1ccc(NC(=O)C2CCCN2C(=O)CCc2ccco2)cc1,4.09,4.090451908111572,0.0719504859858738,580,0
OADMET-0005889,Cn1cnc2c(c1=O)CCN(C(=O)NC1CCCc3c(F)cc(Cl)cc31)C2,4.76,4.962714004516601,0.11971372885406094,2852,2
OADMET-0005888,CC1(C)CC(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccc(F)cc2O1,4.98,5.122849941253662,0.15097922805312322,74,3
OADMET-0005887,CCC(CC)n1nc(C)cc1-c1nc(C(C)(C)NC(C)=O)no1,5.02,5.105519962310791,0.15462011547559268,690,4
OADMET-0005886,O=C(Cn1nnc(C2CC2)n1)N1CCCc2ccccc21,4.58,5.530998229980469,0.05904493189958837,603,2
OADMET-0005885,COc1ccc(Cl)cc1N1CCC(NC(=O)NCC2C(C)(C)C2(F)F)C1,5.17,4.332418632507324,0.1329697767832589,738,3
OADMET-0005884,CC1C(c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1,5.04,5.453872203826904,0.06460536492751345,172,0
OADMET-0005883,Cc1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1,4.56,3.9237878799438475,0.1155432624326673,2851,3
OADMET-0005882,N#Cc1ccc(OCc2noc(C3CCCCC3)n2)c(Cl)c1,4.07,4.742375659942627,0.06842656298485174,2850,4
OADMET-0005881,CCOc1ccc(CNC(=O)N2CCOC[C@@H]2CC(C)C)cc1F,4.68,4.906174087524414,0.14240229670625124,2849,0
OADMET-0005880,O=C(NC1CCOC(c2cccnc2)C1)N1CCCc2ccccc2CC1,5.19,4.819208335876465,0.07959190299390248,326,4
OADMET-0005879,Cc1cc(-c2noc(-c3noc4c3CCCC4)n2)c(C)o1,4.22,4.807706260681153,0.08730143382009876,2848,0
OADMET-0005878,Cc1nc(C2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)no1,4.99,5.018858146667481,0.09783318836542723,718,3
OADMET-0005877,CCOC1(C)CCN(C(=O)N(C)Cc2ccccc2)CC1,4.44,5.382726001739502,0.1259978382601197,684,2
OADMET-0005876,CCC(C)S(=O)(=O)NC(=O)c1csc(C2CCCCC2)n1,4.72,4.473575687408447,0.059298038494092584,2847,2
OADMET-0005875,O=C(Cc1ccccc1O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1,4.95,4.598898696899414,0.0955273523400156,104,1
OADMET-0005874,CS(=O)(=O)CC1CCCCN1C(=O)c1csc2c1CCCC2,5.65,5.493530559539795,0.1089548569912897,2846,3
OADMET-0005873,CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2SCCc3ccccc32)C1,4.38,3.722951316833496,0.13855530388756485,250,0
OADMET-0005872,CC(Oc1ccc(F)cc1)c1nnc2n1CC(C)(C)CC2,5.48,5.351054668426514,0.10203964062024219,735,0
OADMET-0005871,CC(C)(C)c1nc(CC(=O)NC2c3ccccc3CC2O)cs1,5.37,5.791061019897461,0.09988333812431929,41,4
OADMET-0005870,O=C(CC(=O)N1CCCC1CCc1ccccc1)NCC(F)(F)F,4.88,5.295289039611816,0.0677509229384084,173,4
OADMET-0005869,Cn1nnc(CNC(=O)N2Cc3ccccc3CC2c2ccccc2)n1,4.47,4.757801055908203,0.12600097204010866,2845,4
OADMET-0005868,COc1ccc(CNC(=O)C2CCCN2C(=O)c2ccccc2O)cc1Cl,4.43,4.3685462951660154,0.0906373806534936,167,2
OADMET-0005867,CN(C)c1ccc(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1,4.47,4.180033874511719,0.22896720679023583,2844,0
OADMET-0005866,O=C(Cc1cccc(C(F)(F)F)n1)Nc1cncc2c1CCCC2,4.48,4.815349292755127,0.05654452350008467,2843,1
OADMET-0005865,COC(Cc1ccccc1)CS(=O)(=O)N1CC(C)CC1c1cccnc1,5.2,5.019528770446778,0.09440430548654745,2842,2
OADMET-0005864,Cc1noc(Cl)c1CCC(=O)N1CCCCC1CC(C)O,4.77,5.045129871368408,0.1379902482742828,2841,3
OADMET-0005863,CCc1nc(N2CCN(c3ccccn3)CC2)sc1C(=O)OC,4.69,4.5256163597106935,0.16447017176246717,2840,4
OADMET-0005862,CC1(c2ccccc2C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1,4.89,4.8183207511901855,0.1416401556087868,2839,0
OADMET-0005861,CNC(=O)C1CN(C(=O)C2CCc3cc(C)ccc3O2)c2ccccc2O1,4.63,4.4052105903625485,0.12827382653055566,426,2
OADMET-0005860,CC(c1ccsc1)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1,4.36,4.5002038955688475,0.07296432302852228,2838,4
OADMET-0005859,O=C(c1cccc(NCc2cc(O)cc(Cl)c2)c1)N1CCOCC1,4.4,4.319871997833252,0.06107726493813228,2837,0
OADMET-0005858,Cn1cc(C(NC(=O)c2cccc3c2OCC3)C(C)(C)C)cn1,5.29,5.74813928604126,0.04893244694898877,158,4
OADMET-0005857,Cc1nc(C2CCCN2CC(=O)N2CCCCC2C)cs1,5.06,5.577832317352295,0.13958304866294619,283,0
OADMET-0005856,COc1ccc2c(c1)C1(CC1)CN(C(=O)Cn1ncc3ccccc3c1=O)C2,5.04,5.139573478698731,0.06229137550689458,740,2
OADMET-0005855,Cc1cccc2c(CC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c[nH]c12,4.48,4.208240604400634,0.12665455881086443,259,3
OADMET-0005854,CCOC1CC(O)(CNC(=O)c2ccc(C)c(OC)c2)C1(C)C,3.96,4.684278678894043,0.10291415753534006,331,1
OADMET-0005853,O=C(NCc1nc(=O)o[nH]1)c1ccc(N2CCCCCC2)cc1,4.06,3.259861373901367,0.16702111441206555,2836,1
OADMET-0005852,COC(=O)C1(N(C)S(=O)(=O)c2cccc(Cl)c2)CC(OC)C1,4.73,4.8773575782775875,0.16965476263160814,2835,4
OADMET-0005851,CCc1c(NC(=O)c2cocn2)cnn1-c1ccccc1Cl,4.34,4.631611251831055,0.048529819481988395,2834,1
OADMET-0005850,CO[C@@H]1CCOC[C@H]1NC(=O)NCC1(c2ccc(F)cc2)CCC1,4.07,4.588858795166016,0.11159809271025938,2833,2
OADMET-0005849,Cc1ccc(C(=O)NC2(c3ccccc3F)COC2)cn1,4.42,4.182073020935059,0.11151261207693482,253,4
OADMET-0005848,CSC(CO)C(C)NCC(O)Cn1c(-c2ccccc2)noc1=O,4.41,4.2769979476928714,0.08858951194380377,2832,3
OADMET-0005847,O=C(c1cnn(-c2ccccc2)c1)N1CCC(Oc2ccccn2)C1,5.21,4.647035217285156,0.08636704635136898,143,4
OADMET-0005846,C[C@@H](NC(=O)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1,4.61,5.232274341583252,0.0933206382938562,249,1
OADMET-0005845,CN1CCN(C(=O)c2ccc(S(C)(=O)=O)nc2)c2cc(F)ccc21,4.84,4.70509443283081,0.040935670702000486,98,1
OADMET-0005844,C[C@H](NC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1cncc(F)c1,4.25,5.058436584472656,0.04587563516128859,2831,4
OADMET-0005843,O=C(c1ccc(-c2ccccc2)[nH]1)N(CC(F)F)CC(F)F,4.74,4.978847980499268,0.15998247902511054,2830,0
OADMET-0005842,COc1cnc(NC(=O)N2CCCS(=O)(=O)CC2C2CC2)s1,5.12,4.5168883323669435,0.13702535706103905,2829,1
OADMET-0005841,COc1cc(F)c(C(=O)NCc2nnc(C(C)(C)C)s2)c(F)c1,4.87,4.8960264205932615,0.13592833780614202,2828,2
OADMET-0005840,CC(C)(C)OC(=O)N1C2CCC1CC(CNc1ccc(C#N)nn1)C2,4.81,5.3744651794433596,0.1204360594475752,688,1
OADMET-0005839,CC(=O)NC(Cc1nc(-c2ccc(F)c(F)c2)no1)c1c(F)cccc1F,5.06,5.0842588424682615,0.08981504801740817,2827,3
OADMET-0005838,O=C(CN1CCN(C2CC2)C1=O)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1,5.23,5.095464992523193,0.03405207108933087,2826,4
OADMET-0005837,C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1cccc(O)c1,4.5,4.937935447692871,0.19704132713106004,248,2
OADMET-0005836,Cc1nnc(N(C)C(=O)c2c(Cl)cccc2OCC2CC2)s1,4.83,5.09134464263916,0.0659048561338556,330,2
OADMET-0005835,O=C(NCc1cn2cc(Cl)cc(Cl)c2n1)c1cccc2nn[nH]c12,3.63,4.8161696434021,0.11453333871864067,734,1
OADMET-0005834,COC1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(C2CC2)C1,4.52,4.863925552368164,0.11752795724469381,2825,0
OADMET-0005833,O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1Cc1ccccc1,4.66,4.741774272918701,0.07209118071876554,2824,1
OADMET-0005832,O=C(c1cccc2oc(=O)[nH]c12)N1CCN(C2CC2)c2ccccc21,5.07,5.275515556335449,0.07940295892754069,20,2
OADMET-0005831,O=C(NCCCC(=O)N1CCc2ccccc21)c1cc(F)cc2[nH]nnc12,3.9,4.642563152313232,0.12824262271646206,2823,2
OADMET-0005830,COC1(c2noc(CCc3ccccc3C)n2)CCOCC1,3.93,4.5508713722229,0.08744911367812201,2822,3
OADMET-0005829,CC1(C)CCCN1C(=O)Cn1cc(-c2ccc(Cl)s2)nn1,5.38,5.770892333984375,0.08561528206723071,2821,4
OADMET-0005828,CC(NC(=O)N(C)Cc1ccon1)c1cc(F)ccc1N(C)C,4.67,5.051508903503418,0.13166935817688186,601,3
OADMET-0005827,O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)C(=O)NCC2,4.69,4.207436370849609,0.058466487931802376,2820,0
OADMET-0005826,OC1(C(F)(F)F)CCN(c2cc(N3CCCCC3)ncn2)C1,5.19,4.1084047794342045,0.15743006337375798,329,3
OADMET-0005825,CC(NC(=O)N1CCOCC1C1CCCO1)c1cccc(F)c1F,4.41,5.324189186096191,0.04259846107383267,2819,1
OADMET-0005824,Cc1c(C(=O)NCc2cccc3c2OCC3)nnn1-c1ccn(C)n1,4.44,5.056252956390381,0.02601083419407733,757,0
OADMET-0005823,CC(C)c1cc(C(=O)NC(C)c2nnnn2-c2ccccc2)c2cnn(C(C)C)c2n1,5.63,5.51120138168335,0.049550582201722995,2818,2
OADMET-0005822,CC(C)(C)OC(=O)NC1(CCNC2C(=O)NCC2(C)C)CCC1,4.65,5.1080070495605465,0.1861541976451207,2817,3
OADMET-0005821,Cc1nn(CC(F)F)cc1-c1nc(C2CCc3ccccc32)no1,5.23,4.765789222717285,0.04605387897194772,2816,4
OADMET-0005820,Cn1ccc(-c2cn(CC(O)c3ccc(Cl)cc3Cl)nn2)n1,4.47,4.274314022064209,0.11450906713314328,2815,0
OADMET-0005819,Cc1ccc(-c2noc(C3(C)CCC(=O)NC3)n2)cc1Cl,4.99,4.31309404373169,0.08902320472204628,705,0
OADMET-0005818,CCCN(C(=O)c1cc(C)cc(O)n1)C1CCc2ccccc2C1,4.92,5.07594518661499,0.17269564857670988,2814,3
OADMET-0005817,O=C1CS(=O)(=O)c2cc(NC(=O)c3ccsc3Br)ccc2N1,4.66,3.831814432144165,0.14618540466143012,2813,2
OADMET-0005816,O=C(CC1CCCN1)Nc1ccccc1-c1nc2ccccc2[nH]1,4.4,4.165718984603882,0.13705836762107879,2812,2
OADMET-0005815,O=C(C(c1ccccc1)n1cc(-c2cncnc2)nn1)N1CCCCC1,4.9,4.662784290313721,0.17919472545725715,2811,3
OADMET-0005814,O=S1(=O)CCCC1c1nc(C2(c3ccc(F)cc3)CCC2)no1,4.58,5.153452205657959,0.08649033136710824,334,0
OADMET-0005813,Cc1ccc(C2(c3noc(Cn4cc(C)cn4)n3)CCOCC2)cc1,4.13,4.505380153656006,0.0820595608200315,328,2
OADMET-0005812,CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1CC12CCCC2,4.69,4.892406845092774,0.1082881995121014,291,4
OADMET-0005811,CCC1(c2ccc(Cl)cc2)NC(=O)N(c2cncc(Br)c2C)C1=O,5.22,5.4342162132263185,0.10187151834263981,2810,4
OADMET-0005810,CO[C@H]1C[C@H](c2nnc(C)o2)N(CC2CCc3ccccc3C2)C1,4.75,4.023962211608887,0.12250158195204913,327,0
OADMET-0005809,CN1CCC(OCc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)CC1,5.62,3.714326810836792,0.10192399566731547,2809,0
OADMET-0005808,Cc1cn(C2CCCCC2)nc1NC(=O)NCc1ccccc1CC(F)(F)F,5.32,5.291505432128906,0.08097419329692214,699,3
OADMET-0005807,CC(=O)N1CCCCCC1C1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1,5.56,4.246025466918946,0.13094835385918394,745,0
OADMET-0005806,CC1(C)CCOC1CS(=O)(=O)N1CCCC(c2ccn[nH]2)C1,5.22,5.087342834472656,0.09331512537886374,2808,1
OADMET-0005805,CC(=O)Nc1nc(C(=O)N2CC(C)(C)c3ccc(F)cc32)cs1,4.91,5.664583015441894,0.0947999051965081,2807,2
OADMET-0005804,CC(C)C(CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccccc1,5.57,5.121693134307861,0.11310762516094057,756,4
OADMET-0005803,CCC(c1ccccc1)c1nnc(NC(=O)N2CCc3ncncc3C2)s1,5.15,3.9314327239990234,0.13516004918070107,275,0
OADMET-0005802,CCn1c(C2CCCN2C(=O)c2cnn(C(C)C)c2)nc2ccccc21,4.53,5.371089458465576,0.10517453944231188,585,3
OADMET-0005801,O=C(N1CC(S(=O)(=O)NC2CCCC2)C1)C1(C(F)(F)F)CCOCC1,4.5,3.9431418895721437,0.2143585561120829,2806,3
OADMET-0005800,O=S(=O)(N1CCc2ccccc2C1)N(Cc1cccc(O)c1)CC1CC1,5.05,5.2012810707092285,0.11789234316500077,602,0
OADMET-0005799,COc1ccc(CC(=O)NCC2CCC3(CCOCC3)CO2)c(C)c1,3.56,4.6159638404846195,0.1160912426023512,2805,4
OADMET-0005798,Cc1c(NC(=O)CC(C2CCC2)C2CCC2)ccc(F)c1N1C(=O)CNC1=O,4.82,4.832159900665284,0.059671848585954985,2804,0
OADMET-0005797,CC(NC(=O)c1nc2cccnc2s1)(C1CC1)C(F)(F)F,4.85,4.02259635925293,0.243955264564258,692,2
OADMET-0005796,CN(c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(C)(=O)=O,4.63,4.3695481300354,0.08625133660023268,2803,1
OADMET-0005795,CC(C)c1ocnc1C(=O)N(C)CCN(C)C(=O)C1CCC(C(F)(F)F)C1,4.68,4.934344005584717,0.09853631492061682,2802,2
OADMET-0005794,CCN(c1cccnc1)S(=O)(=O)c1cccc(OC)c1OC,4.71,5.241860008239746,0.13874243956747143,2801,3
OADMET-0005793,NC(=O)CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(O)c2)CCCCC1,4.25,5.1948882102966305,0.07562436577716869,2800,4
OADMET-0005792,CC1CN(CC(C)(C)O)CCN1C(=O)NCCCc1ccc(Cl)cc1,4.58,3.5816509246826174,0.1750829469924252,2799,0
OADMET-0005791,Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCOCC12CCOC2,4.63,5.246543025970459,0.09663223085705616,2798,1
OADMET-0005790,COc1cc(C(=O)N[C@H](C)c2oc3ccccc3c2C)cc(Cl)c1O,4.57,4.756503009796143,0.08629742272579446,755,0
OADMET-0005789,COC1CCC(CC(=O)N(C)CC(C)(O)c2ccccc2)CC1,4.36,4.6128716468811035,0.17086804382715445,2797,2
OADMET-0005788,O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CC(O)(C2CC2)C1,6.23,4.2691014289855955,0.14807035642978914,2796,3
OADMET-0005787,O=C(Cn1nnnc1-c1ccccc1)N[C@]1(c2ccccc2)C[C@H](O)C1,4.67,4.600373554229736,0.10078330906423133,2795,4
OADMET-0005786,CC(CNS(=O)(=O)c1cnn(-c2ccccc2)c1)N1CCCCC1=O,5.05,5.7695128440856935,0.0935221704882109,752,2
OADMET-0005785,CC(NC(=O)N1CCC[C@H]1CN1CCOCC1)c1nc(Cc2ccccc2)no1,4.57,4.596402835845947,0.14043226303704512,103,3
OADMET-0005784,O=C(Nc1cccnc1N1CCOCC1)N1CCCc2ccccc2CC1,4.84,4.966671371459961,0.07217974284791953,326,4
OADMET-0005783,CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccccc2)n1,5.22,4.685777568817139,0.10335463762823605,2794,0
OADMET-0005782,Cn1ncc(C(=O)Nc2cccc3cc[nH]c23)c1-n1cccc1,4.83,5.055728912353516,0.11237425178109305,2793,1
OADMET-0005781,CC1CN(CC(=O)N(CC(F)(F)F)C(C)C)c2ccccc2NC1=O,4.85,5.114353656768799,0.15801292144168871,2792,3
OADMET-0005780,CN(Cc1nc(-c2c(F)cccc2F)cs1)CC1(O)CCC1,4.03,4.401600170135498,0.06839431018264137,2791,2
OADMET-0005779,COc1ncc(Br)cc1S(=O)(=O)N1CCC(Oc2ccccn2)C1,5.11,5.224286079406738,0.08870981459342231,2790,4
OADMET-0005778,CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC=C(F)C3)n2)cc1,4.53,4.808058261871338,0.16080957914432395,754,1
OADMET-0005777,CCOc1ccccc1CN(C)S(=O)(=O)CC1CCCO1,4.72,4.938969326019287,0.12723741408229675,2789,3
OADMET-0005776,CC1(NC(=O)[C@@H]2CCCO2)CCN(C(=O)c2cc(F)cc3cc[nH]c23)C1,4.99,4.714032554626465,0.05724570942646718,2788,4
OADMET-0005775,O=C(OCc1ccccc1)N1CCN(C(=O)c2cncc3nc(C(F)(F)F)[nH]c23)CC1,4.78,3.8205892562866213,0.07872274454643838,2787,0
OADMET-0005774,CC(c1cccnc1)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1,5.05,4.969754791259765,0.07866094236770622,2786,1
OADMET-0005773,CC(C)(C)c1cc(C(=O)N2CCC(O)(C(F)F)CC2)no1,4.38,4.906567192077636,0.15119095071779146,2785,2
OADMET-0005772,Cc1cc2ccccc2n1CC(=O)N1CCCC1C(C)(C)O,4.78,4.603126811981201,0.038047822530733764,283,0
OADMET-0005771,COc1c(C(=O)N2CCN(C3CC3)c3ccccc32)cnc2c1cnn2C,5.46,5.208932113647461,0.08920463633887836,20,2
OADMET-0005770,COc1ccc(C(NC(=O)c2cnn3cccnc23)C2CC2)cn1,4.85,4.59069709777832,0.048909606804972944,100,2
OADMET-0005769,CC(C(=O)Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1,4.78,4.719730854034424,0.16261913405602535,2784,3
OADMET-0005768,O=C(NCC1(C2(O)CCC2)CC1)c1ncc(C(F)(F)F)cc1Cl,4.86,5.069411945343018,0.10838573104550686,2783,4
OADMET-0005767,Cc1ccc(C(=O)N(C)Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1,4.28,4.786338901519775,0.15519654065449773,2782,0
OADMET-0005766,CC(C)(NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccs1,4.75,4.20049352645874,0.23374900596011808,2781,1
OADMET-0005765,NC(=O)CC1CCCN(C(=O)NC2CCCc3sccc32)C1,4.16,4.2818708419799805,0.11772506780947492,2780,2
OADMET-0005764,C[C@@H](NC(=O)N(C)C1Cc2ccccc2C1)c1cccc(O)c1,4.65,5.274692630767822,0.15200022219778003,753,4
OADMET-0005763,CC(C)Cn1ccnc1NC(=O)c1cc2cccn2cn1,4.21,3.742564582824707,0.16836092313941936,2779,3
OADMET-0005762,O=C(c1ncoc1-c1ccon1)N1CCOc2c(Br)cccc2C1,4.79,4.460877513885498,0.051528289143590644,2778,4
OADMET-0005761,O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCCC(O)(C(F)(F)F)C1,4.4,5.004264259338379,0.14514934384846653,2777,0
OADMET-0005760,CC(O)CC1CCCN1C(=O)C1CCN(c2ccccc2F)C1,5.24,4.654931163787841,0.0936436255369683,2776,1
OADMET-0005759,CC(NC(=O)NC1CC(=O)N(C2CC2)C1)c1cccc2ccccc12,4.14,5.222399711608887,0.09593240965374777,2775,2
OADMET-0005758,COCc1noc(CN2CCc3c(Br)cc(C)cc3C2)n1,4.29,4.6059544563293455,0.15073841213650815,2774,3
OADMET-0005757,Cn1nccc1C1CCCN1CC(=O)Nc1cc(F)ccc1F,4.52,4.328574275970459,0.10785968870781604,523,1
OADMET-0005756,CCc1cnc(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)s1,4.54,5.544881439208984,0.16785440823182662,752,2
OADMET-0005755,O=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC3(C2)Oc2ccccc2O3)C1,4.69,4.910556030273438,0.09766106268993173,2773,4
OADMET-0005754,O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)Nc1cc[nH]n1,4.6,4.258663177490234,0.16641964068437928,2772,0
OADMET-0005753,C[C@@H]1COC[C@@](CO)(CNC(=O)c2c(Cl)ccc3ccoc23)N1C,4.29,4.263012981414795,0.22073236279960948,164,0
OADMET-0005752,CC[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1C(F)(F)F,4.62,4.914900493621826,0.10496712923010869,139,3
OADMET-0005751,O=C(CC(C1CCC1)C1CCC1)N1CCC(c2cnccn2)C1,4.28,4.929309463500976,0.07791160429174913,2771,1
OADMET-0005750,O=C(c1ccncc1F)N1CCN(C2CC2)c2ccccc21,4.44,4.9599611282348635,0.07417314455644482,20,2
OADMET-0005749,COCCC1(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,4.3,5.0539953231811525,0.0688099643678427,2770,2
OADMET-0005748,CO[C@@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)N(C(=O)OCc2ccccc2)C1,4.74,4.155778264999389,0.22784023478534807,2769,3
OADMET-0005747,CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCCC(C)(C)O)CC1,5.58,4.124618816375732,0.14541190402799106,2768,2
OADMET-0005746,Cc1ccc(Br)cc1Cc1noc(CN2CCCCC(O)C2=O)n1,5.46,4.358512592315674,0.10066238393695401,2767,1
OADMET-0005745,Nc1nccnc1C(=O)N1CCCC1c1ccccc1C(F)(F)F,4.82,5.403633689880371,0.12842029563992957,2766,0
OADMET-0005744,Cc1ccc(C2(C)NC(=O)N(Cc3cnns3)C2=O)cc1C,4.78,4.8005702018737795,0.13178906995461373,2765,0
OADMET-0005743,O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(-c2ccco2)nn1-c1ccccc1,4.61,4.7888439178466795,0.07966716579950385,2764,1
OADMET-0005742,CC#CCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,4.06,3.7020779609680177,0.14381648937711605,2763,2
OADMET-0005741,N#Cc1ccc(O)c(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)c1,4.59,4.177962017059326,0.07220005714209445,2762,3
OADMET-0005740,C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2,4.81,4.615522956848144,0.08687476661857428,303,2
OADMET-0005739,CC(NC(=O)C1CCCN1C(=O)c1ccc2ccccc2c1O)c1cnn(C)c1,4.46,4.722979736328125,0.10253500706772031,282,4
OADMET-0005738,Cc1ccc(S(=O)(=O)NC(=O)C2CC23CCc2ccccc23)c(C)c1,4.3,5.119592761993408,0.10124304381000572,505,4
OADMET-0005737,C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1,4.67,4.790952587127686,0.1877108241248396,2761,4
OADMET-0005736,Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1,5.46,4.0348726272583,0.05480895071556262,2760,0
OADMET-0005735,CC(C)C(NC(=O)CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1ccc2c(c1)OCCO2,5.09,4.496888732910156,0.042347587694842904,2759,1
OADMET-0005734,Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,4.85,4.649636363983154,0.049249538312403154,677,0
OADMET-0005733,COc1ccc(CNc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c(Cl)c1,5.22,3.980128765106201,0.12137305788343264,2758,2
OADMET-0005732,CNC(=O)c1ccc(C(=O)N2CCC(C)C2c2cccc(F)c2)cn1,5.12,5.124547481536865,0.10990177882195531,170,1
OADMET-0005731,CNc1nc(C)cc(C(=O)N2CCN(C)c3ccc(F)cc32)n1,5.11,4.776819133758545,0.039846036144156216,98,1
OADMET-0005730,Cn1cnc2ccc(C(=O)Nc3cccc(CSc4ccccn4)c3)nc21,4.59,4.668622016906738,0.11253379841918582,2757,3
OADMET-0005729,O=c1c2ccccc2ncn1CC1CCCC(C(F)(F)F)O1,4.23,4.553044605255127,0.11063107672532044,2756,4
OADMET-0005728,C[C@H](C(=O)N1CCCCc2cccnc21)N1Cc2ccccc2C1=O,4.9,5.312152767181397,0.08901199026184897,708,2
OADMET-0005727,CC(CS(=O)(=O)N1CCc2cnccc21)c1ccccc1,5.12,5.017483425140381,0.07871182531867923,2755,4
OADMET-0005726,CC1(C)C(NCCNS(=O)(=O)c2ccccc2)[C@H]2CCC[C@H]21,4.83,5.26483154296875,0.129344060628102,751,3
OADMET-0005725,N#Cc1c(N2CCOC3(CCCCCC3)C2)nc2ccccn12,4.8,5.030965900421142,0.11142281237846288,2754,1
OADMET-0005724,NC(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)s1,4.84,4.947251415252685,0.10065738936690481,2753,2
OADMET-0005723,CCc1c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cnn1-c1ccccn1,4.17,4.381289958953857,0.11195286056529163,2752,3
OADMET-0005722,Cc1ccc(Cn2nccc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1,4.2,4.6406347274780275,0.098185971988719,2751,4
OADMET-0005721,Cc1ccc(-n2cnnc2SCC(=O)N2CCc3ccccc32)cc1Cl,5.02,5.211558532714844,0.048555814041668185,2750,0
OADMET-0005720,CCCc1cc(=O)n2nc(NCC(c3ccc(Cl)cc3)n3cccn3)sc2n1,5.0,5.046517944335937,0.08428376806773163,2749,1
OADMET-0005719,COC(=O)c1cc(Cl)cc(C)c1NC(=O)C1CCCCO1,4.86,4.7083111763000485,0.10254448061836763,2748,2
OADMET-0005718,Cc1ccccc1OCc1nnc(SCc2nccc(N)n2)n1-c1ccccc1,4.73,5.01870584487915,0.0501199732773187,2747,3
OADMET-0005717,Cc1nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2cc1O,4.33,3.3363012313842773,0.17652160189136934,2746,4
OADMET-0005716,CCN1CCCC1CN(Cc1ccc(O)cc1)C(=O)c1nccc2ccsc12,4.51,4.727243518829345,0.14286833359578968,2745,3
OADMET-0005715,Cn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1,4.82,4.577339935302734,0.106676872983555,172,0
OADMET-0005714,CC(Nc1cccc2c1OCCO2)C(=O)N(C)c1ccccc1,4.96,5.463270378112793,0.06032831254481173,2744,4
OADMET-0005713,c1cn2ccnc2c(N2CCCCC3(CCCCC3)C2)n1,4.39,5.270700168609619,0.09500223689542159,2743,0
OADMET-0005712,O=C(NCC1(c2ccccc2)CCCO1)c1nnc(-c2ccccc2)o1,4.49,5.104245662689209,0.12828191775048764,750,3
OADMET-0005711,O=c1[nH]c2ccccc2cc1Cn1cc(C2(O)CC3CCC2C3)nn1,4.34,4.5454607009887695,0.06619870063715713,2742,3
OADMET-0005710,Cc1ccc(CC(=O)NS(=O)(=O)c2ccn(-c3ccccc3)n2)cc1,4.16,4.371453762054443,0.05719064085166518,168,1
OADMET-0005709,Cc1cccc2c1OC(C(=O)NS(=O)(=O)c1ccc3c(c1)CCCC3)C2,4.95,4.74310827255249,0.06863915320551713,2741,0
OADMET-0005708,CC(C)Nc1cccc(-c2cn(CCn3cccn3)nn2)c1,4.83,4.45442476272583,0.15119559672476596,2740,1
OADMET-0005707,COc1cn(-c2ccccc2)nc1-c1nc(-c2ccccn2)no1,4.3,4.292330741882324,0.11787358214612548,2739,2
OADMET-0005706,Cn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)CC(C1CCC1)C1CCC1,4.86,4.916256332397461,0.11767103339013925,300,0
OADMET-0005705,CCn1cccc(NC(=O)N2CCC2c2ccc(Cl)cc2)c1=O,4.52,5.3316339492797855,0.07666296960784434,557,1
OADMET-0005704,O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)C1,4.68,5.591528701782226,0.19067899806158334,714,2
OADMET-0005703,CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2,4.97,4.873184776306152,0.03979677371531532,137,4
OADMET-0005702,CC(Cc1ccc(O)cc1)NC(=O)N1CCc2cc(Cl)ccc2C1,5.22,4.963490200042725,0.15361911085819052,2738,3
OADMET-0005701,Cc1ccc(-n2cc(C(=O)N3CC4CCCN4Cc4ccccc43)nn2)cc1,4.97,4.7298027038574215,0.07554443892466997,2737,4
OADMET-0005700,Cn1cnc(-c2ccc(C(=O)N3CCCC(C4CC4)C3)cc2)n1,4.04,4.225730609893799,0.07721776802136503,2736,0
OADMET-0005699,CCc1ccc(-c2nnc(SC3CCN(c4ccccc4)C3=O)[nH]2)cc1,4.95,4.61544713973999,0.06585365788240809,2735,1
OADMET-0005698,O=C(CC1CC=CC1)NS(=O)(=O)c1cc(Cl)cc2cccnc12,4.41,4.923619937896729,0.08195840336324668,2734,2
OADMET-0005697,CCS(=O)(=O)c1cccc(CC(=O)N2CCCC2CSC)c1,4.9,5.148015403747559,0.11201625117710903,2733,3
OADMET-0005696,N#Cc1ccc2c(c1)CCC2NCc1cnccc1C(F)(F)F,4.22,4.645790004730225,0.10937841519944466,2732,4
OADMET-0005695,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)s1,3.94,4.786685276031494,0.06515334902208725,161,2
OADMET-0005694,O=C(c1c[nH]nc1-c1ccsc1)N1CCOC2(CCc3ccccc32)C1,4.96,4.8708898544311525,0.04276201346272771,2731,0
OADMET-0005693,CC1CC2CCC(C(=O)NCc3nc(C(C)C)cs3)CN2C1,4.82,4.492922019958496,0.07422386005820308,2730,1
OADMET-0005692,CCCNC(=O)c1cccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c1,4.9,4.760520267486572,0.11452857014027686,2729,2
OADMET-0005691,CCOc1ccc2ccccc2c1OCC1(O)CCOCC1,4.25,4.362310123443604,0.13522647630808465,2728,3
OADMET-0005690,CCc1noc(NC(=O)N2CCCc3ccccc3CC2)n1,4.7,4.675571250915527,0.11549349951166424,326,4
OADMET-0005689,COc1cc(C)c(NC(=O)Cn2sc3ccccc3c2=O)cc1C(F)(F)F,5.05,5.333933353424072,0.10793127019008648,2727,4
OADMET-0005688,O=C(Nc1cnn(Cc2ccccc2)c1)C1Cc2ccccc2O1,4.59,5.064647197723389,0.0638316410544724,185,4
OADMET-0005687,CC(C)CN(CC(O)c1ccc(F)cc1)C(=O)NCC1CC(=O)Nc2ccccc21,5.04,5.065332221984863,0.10800313001300045,2726,0
OADMET-0005686,O=C(c1cnccn1)N(c1ccc(Br)cc1Cl)C1CCC1,5.1,4.695559692382813,0.13006477670072913,2725,1
OADMET-0005685,O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1ccccc1Cl)C1CC1,4.22,5.090316486358643,0.10998289118813097,2724,2
OADMET-0005684,COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(C(C)CO)CC1,4.67,4.38022518157959,0.07386931998164664,325,4
OADMET-0005683,CC(=O)N1CCC(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C1,4.77,5.510375690460205,0.17135806474013066,2723,3
OADMET-0005682,Cc1ccc(C2(CNC(=O)N3CCCC(C)(O)C3)CC2)c(C)c1,4.9,4.754772567749024,0.07138200484899036,140,0
OADMET-0005681,O=C(NS(=O)(=O)c1ccc2c(c1)COC2)c1cc2c(s1)CCCC2,5.17,4.644496726989746,0.07121272400291555,732,2
OADMET-0005680,O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(NCC2CC2)nc1,4.27,4.856332778930664,0.09780969678327602,749,2
OADMET-0005679,CN(c1ccccc1)c1nc(C(=O)N2CC3(C2)CC3(F)F)cs1,4.4,5.426875114440918,0.11846955814334052,2722,4
OADMET-0005678,O=C(c1ccc2oc(=O)[nH]c2c1)N1CCOCC12CCCCC2,5.14,4.012834262847901,0.11842445452522897,2721,2
OADMET-0005677,CC1CC(C(=O)Nc2ccc(F)c(C(N)=O)c2)(c2cccc(Cl)c2)C1,5.13,4.807363414764405,0.0940266807672951,748,0
OADMET-0005676,CC1(c2ccc(C(=O)N3CCN(C4CC4)c4ccccc43)cc2)NC(=O)NC1=O,5.66,5.058337688446045,0.0883761168691432,20,2
OADMET-0005675,CCCn1cc(-c2cn(Cc3ccn(Cc4ccccc4)n3)nn2)cn1,4.41,4.348846912384033,0.06970169272666311,537,2
OADMET-0005674,CC(C)CC(=O)Nc1ccc(NCc2cccc3nnn(C)c23)cc1,5.2,4.622889614105224,0.08982064556585714,2720,1
OADMET-0005673,CC1(c2cc(NS(=O)(=O)c3ccc(F)cc3F)on2)CC1,4.39,5.047769260406494,0.11211948921931056,2719,1
OADMET-0005672,O=C(Nc1cccc(F)c1F)NC1CCCN(C2CCCCC2)C1=O,4.92,5.026293849945068,0.12093758045241522,99,3
OADMET-0005671,CC(C)(C)OC(=O)C(C)(C)NCc1ccc2c(c1)NC(=O)CO2,4.94,4.521275997161865,0.17682177937857302,2718,2
OADMET-0005670,COc1ccccc1C(C)NC(=O)CN(C(C)C)S(C)(=O)=O,4.6,5.359767913818359,0.07715259603381311,2717,3
OADMET-0005669,COc1cc(C(C)NC(=O)N2CCOC[C@H]2C)cc2ccccc12,4.68,5.18648681640625,0.07311035201620268,2716,4
OADMET-0005668,CC(C)(C(=O)N1CCCC(CO)(Cc2ccccc2)C1)n1cccn1,5.27,4.7690356254577635,0.08532117521872713,747,2
OADMET-0005667,Cc1cc(NC(=O)NCc2cccc(Oc3ccccc3F)c2)n(C2CCS(=O)(=O)C2)n1,5.14,4.468962383270264,0.10942987646750134,324,4
OADMET-0005666,CCCCn1ncc(NC(=O)NC2CCOC23CCCC3)c1C(C)C,5.25,4.859590148925781,0.02545394872770826,2715,0
OADMET-0005665,COc1ccccc1-c1cn(C(C)c2cnc(C)cn2)nn1,4.39,4.776729679107666,0.1307237501002431,2714,1
OADMET-0005664,COCc1nn(Cc2nc(N)c3c4c(sc3n2)CCCC4)c(=O)o1,5.28,4.191692066192627,0.08091483623551256,737,4
OADMET-0005663,CCC(C)(C)NC(=O)C(C)n1cc(-c2ncccc2F)nn1,4.85,4.523223495483398,0.069045713188478,2713,2
OADMET-0005662,O=c1ccn(-c2ccc(F)cc2)nc1-c1nc(Cc2cccc(Cl)c2)no1,4.28,4.764371109008789,0.09277750971642204,2712,3
OADMET-0005661,CC1(C)CNC(=O)C1NCc1nc(C(F)(F)F)n2c1CCCC2,5.08,4.942416477203369,0.08372660213689899,689,0
OADMET-0005660,Cn1ncc(NC(=O)NCC(C)(C)c2ccc3ccccc3c2)c1C(F)F,4.75,4.968558883666992,0.0543426010627118,2711,4
OADMET-0005659,CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(C#N)CCCCC1,5.12,5.023922538757324,0.07440404016412792,2710,0
OADMET-0005658,COc1cccc(C(=O)NCCNC(=O)C2COc3ccccc3C2)c1,4.51,4.219045829772949,0.12574176801790757,112,4
OADMET-0005657,Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCCc2[nH]ncc21,4.63,4.763260459899902,0.11064770013160904,2709,1
OADMET-0005656,O=C(NCC(F)(F)C(F)F)C1CCN(c2ccccc2Cl)C1,4.89,3.6204196929931642,0.09290400299893588,97,0
OADMET-0005655,Cc1c(NC(=O)C(C)N2CCCN(Cc3nccn3C(C)C)CC2)cccc1[N+](=O)[O-],5.2,4.177635908126831,0.12181044136984844,2708,2
OADMET-0005654,FC(F)c1noc(CN2Cc3ncccc3N3CCC[C@H]3C2)n1,5.16,4.641051959991455,0.08115648162782163,165,4
OADMET-0005653,CCCc1csc(NC(=O)N2CCCC2c2ccc3c(c2)OCCO3)n1,5.41,5.50789155960083,0.07826489844978982,746,4
OADMET-0005652,Cc1ccc(C(=O)N2CCCC(n3ccnn3)C2)c(F)c1Cl,4.45,5.068171787261963,0.0699323848864827,39,2
OADMET-0005651,CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)NC2Cc3ccccc3C2)c1,4.09,4.123777866363525,0.11027775264079621,312,4
OADMET-0005650,O=C(c1coc(C2CC2)n1)N1CCOc2c(Cl)cc(Br)cc21,4.27,5.368226146697998,0.16144271362590976,2707,3
OADMET-0005649,CC1OCCCC1C(=O)Nc1cc(-c2cccs2)nn1CCO,4.79,4.29989767074585,0.1553058359824238,301,3
OADMET-0005648,COc1cccc(OC)c1C(=O)NC(C)c1csc(C)n1,4.53,4.582074928283691,0.10347595678222521,171,1
OADMET-0005647,CC(C)c1cc(NCc2nnc(C(C)C)n2C)nc(C(C)C)n1,4.53,4.880039119720459,0.18950126331487877,2706,4
OADMET-0005646,CN(C(=O)Cc1c[nH]c2ccc(F)cc12)C(CC(N)=O)C(F)(F)F,4.64,4.349423885345459,0.11682431694777867,2705,0
OADMET-0005645,CN(C(=O)Cn1c(-c2ccccc2)nc2ccccc21)c1cccnc1,4.65,4.917636299133301,0.05775416760814775,2704,1
OADMET-0005644,O=S(=O)(Nc1cnn(CC(F)(F)F)c1C1CC1)c1cccc2ncccc12,5.1,5.106145668029785,0.10337041799354724,2703,2
OADMET-0005643,CNC(=O)Cn1cc(NCc2cccc(-c3ccc(C)cc3)c2)cn1,4.29,3.977485513687134,0.16053982619247165,2702,3
OADMET-0005642,CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccn(Cc3ccccc3)n2)C1,5.14,4.874607276916504,0.05205124377383789,2701,4
OADMET-0005641,COc1cc(F)c(C(C)NC(=O)c2ccccc2OC(F)(F)F)cc1OC,5.1,4.671928977966308,0.08491609589419098,2700,0
OADMET-0005640,CN(Cc1cccc(O)c1)C(=O)c1cccc(N2CCCC2)c1,4.67,5.213832569122315,0.08602140015910528,573,4
OADMET-0005639,CC1(C)CN(C(=O)NC2CCOc3c(Cl)cccc32)C1c1ccncc1,4.8,4.929693222045898,0.0305617566412352,2699,0
OADMET-0005638,COCCn1nnnc1NC(=O)C1CCc2ccccc2C1,4.84,3.8686588287353514,0.16642033507084641,2698,2
OADMET-0005637,Cc1cc(C)c(-c2ccc3nc(CO)n(C)c3c2)c(C)c1,4.09,4.246129322052002,0.08690494859942237,2697,2
OADMET-0005636,CC(=O)N1CCCCCC1C1CCN(c2cc(O)nc(C)n2)CC1,5.12,5.105311870574951,0.12400588406563419,745,0
OADMET-0005635,Cc1noc2ncc(S(=O)(=O)NC3C4CCc5ccccc5C43)cc12,4.89,5.436739158630371,0.07581271745971702,744,1
OADMET-0005634,O=C(Cn1ccc2ccccc2c1=O)N1CCC(Cc2ccccc2)C1,4.09,4.629152393341064,0.0674025313356039,9,2
OADMET-0005633,COc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1-n1nnnc1C,4.43,4.0166150569915775,0.1106899341508386,2696,1
OADMET-0005632,Cc1oc(-c2ccccc2)nc1Cc1nc(Cc2ccon2)no1,5.1,4.759714031219483,0.06717588039280989,2695,1
OADMET-0005631,COc1cc(OC)cc(-c2noc(NC(C)CSC)n2)c1,4.35,4.912248039245606,0.05530381172995261,2694,2
OADMET-0005630,COc1ccc(C(CCO)NC(=O)NCCc2c[nH]c3ccccc23)cc1,4.63,4.255905723571777,0.03868911193822334,14,1
OADMET-0005629,COC1CCCC(CC(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1,4.73,4.429116153717041,0.14382057817674898,2693,3
OADMET-0005628,CCCS(=O)(=O)c1ccccc1C(=O)NCC1(O)CCCCCC1,5.27,4.65732479095459,0.06755635435864266,743,4
OADMET-0005627,C[C@@H]1CN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H](C)O1,4.68,3.6765396118164064,0.0849950830601648,2692,4
OADMET-0005626,NC(=O)C1(c2ccccc2)CCN(c2nnc(C(F)(F)F)s2)CC1,3.51,4.460077857971191,0.08798192662252197,661,0
OADMET-0005625,CC(C)Oc1ccc(S(=O)(=O)Nc2cn(C)nc2C(F)F)cn1,4.57,4.955284595489502,0.1094657061486513,2691,0
OADMET-0005624,CC(C)(NC(=O)c1ccc2c(c1O)CCCC2)c1nnn[nH]1,4.16,3.9153125286102295,0.15691972590266315,2690,1
OADMET-0005623,Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc2[nH]ncc12,4.87,4.593046379089356,0.04760025045345323,440,0
OADMET-0005622,OC1(C(F)(F)F)CCN(c2cncc(OC3CCCCC3)n2)C1,5.15,4.64193754196167,0.12575494094340683,329,3
OADMET-0005621,COC(=O)c1cnc(NC(=O)c2ccccc2OC2CCCC2)s1,4.95,5.159453296661377,0.08296140117724146,122,2
OADMET-0005620,COc1cc(C(=O)NCCN2CCc3sccc3C2)ccc1C,4.67,4.122559261322022,0.1324934391354752,16,1
OADMET-0005619,Cc1noc2nc(C(C)C)cc(C(=O)N3CCOCC3(C)C3CC3)c12,5.05,5.517325973510742,0.06543248365593908,2689,2
OADMET-0005618,O=C(NC(c1ccccn1)C1CCC1)c1nn[nH]c1-c1ccccc1,4.96,4.746580314636231,0.14937766218395362,2688,3
OADMET-0005617,CC(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1nc(-c2ccccc2)no1,4.87,4.9169519424438475,0.08919317673645294,41,4
OADMET-0005616,COc1ccc(C(=O)NCC2CCOc3ccccc32)cc1N1CCNC1=O,4.54,4.787162208557129,0.056736184318276726,290,2
OADMET-0005615,Cn1ncc2c(=O)[nH]c(CCC(=O)N3CCC(c4ccc(F)cc4)CC3)nc21,4.93,4.5560712814331055,0.16166358702316855,2687,4
OADMET-0005614,CCCC1(CO)CCCN1C(=O)C(C)NS(=O)(=O)c1cccs1,5.32,5.522808074951172,0.10746714343759739,503,2
OADMET-0005613,CC(C(=O)N1CCOCC1c1nc2ccccc2s1)c1cccnc1,5.04,4.714750099182129,0.05750267768876362,2686,0
OADMET-0005612,O=c1cc(N2CCCC3(CCCCN3)C2)[nH]c(=O)n1Cc1ccccc1,4.53,4.109141826629639,0.19646502190338577,2685,1
OADMET-0005611,COc1ccc(CCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1OC,4.85,4.186000633239746,0.055550609106708324,26,0
OADMET-0005610,COc1ccccc1N1CCC(NC(=O)c2sccc2-n2cnnn2)CC1,4.85,4.750172901153564,0.08410822672832019,65,4
OADMET-0005609,COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(F)ccc2F)cc1,4.15,4.801001071929932,0.19961512062135148,2684,2
OADMET-0005608,CCc1ccccc1-n1cc(C(=O)NC(C)c2nn(C)cc2O)nn1,4.53,4.512824058532715,0.0978833010911888,2683,3
OADMET-0005607,CC(NC(=O)CN1CCC(CO)CC1)c1ccc(F)c2ccccc12,4.73,4.318257141113281,0.06770100855957922,2682,4
OADMET-0005606,CCCc1nc(C(C)(C)NC(=O)c2cccc(-c3ncn[nH]3)c2)no1,4.59,4.3102014541625975,0.07886402869617966,742,1
OADMET-0005605,COc1cccc(OC)c1C(=O)NC(C)c1cnn(C(C)C)c1,4.91,4.693972492218018,0.09022300488855649,171,1
OADMET-0005604,CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2nc(C(C)(C)C)cs2)C1,3.91,4.6556077003479,0.14720319026218234,250,0
OADMET-0005603,NS(=O)(=O)c1cccc(N2CC(C(=O)N3CCc4ccc(Cl)cc43)CC2=O)c1,4.29,4.240634346008301,0.14815202925893667,691,3
OADMET-0005602,CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cccn(C)c1=O,4.47,4.738272857666016,0.1039898703375363,323,3
OADMET-0005601,O=C(NCC1OCCc2ccccc21)c1occc1COc1ccccc1,4.87,5.399169635772705,0.07410519122036871,606,0
OADMET-0005600,CCc1nn(C)c(CC)c1CN1CCCC1c1cccnc1,4.73,4.3353883743286135,0.09006816279771136,2681,0
OADMET-0005599,CN(C(=O)c1c[nH]nc1-c1ccccn1)C1CCc2ccccc2C1,4.43,4.639235115051269,0.05429175167491507,669,0
OADMET-0005598,COc1cncc(C(=O)NC(c2ccccc2)c2cccc(S(C)(=O)=O)c2)n1,4.92,5.099083518981933,0.014971502009369562,2680,1
OADMET-0005597,Cc1cc(NC(=O)c2ccc(Cl)c3cccnc23)n(C)n1,4.77,4.5302613258361815,0.06079232421234007,151,4
OADMET-0005596,CNC(=O)c1cccnc1N1CCc2ccccc2C(C)(C)C1,4.79,4.980738544464112,0.0617907160804734,2679,2
OADMET-0005595,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc2ncccn2n1,4.93,4.289089107513428,0.0717463156087392,162,4
OADMET-0005594,O=C(c1nc2ccccc2c(=O)[nH]1)N1C[C@H](Cc2ccccc2)[C@@H](O)C1,4.24,4.221052169799805,0.13466840508992536,2678,3
OADMET-0005593,COCc1cccc(CC(=O)N2CCC(c3nccc(C)n3)CC2)c1,4.74,3.7033290386199953,0.053542069277662516,102,2
OADMET-0005592,Cc1[nH]c(=O)c(C(=O)NC2CCCN(c3cnn(C)c3)C2)cc1-c1ccccc1,4.65,3.522801923751831,0.07787196137318643,2677,4
OADMET-0005591,CC(C)c1nnc2c(NC3CCCC3CNS(C)(=O)=O)nccn12,4.9,4.011472082138061,0.035468460315925286,2676,0
OADMET-0005590,O=C(CCc1ccccc1Cl)N1CCCC1CN1CCOCC1,4.63,4.9901124954223635,0.14932886262090647,103,3
OADMET-0005589,Cc1cccn2c(=O)cc(COC(=O)c3cc4cc(Br)ccc4[nH]3)nc12,5.16,5.259712600708008,0.07260366994149904,741,1
OADMET-0005588,O=C(CCNC(=O)C1CCCN1C(=O)c1ccccc1O)NC1CCCCC1,4.45,4.361170387268066,0.09530173970639369,167,2
OADMET-0005587,Cc1cc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)oc2cc1C,4.26,4.6339422225952145,0.09187131453383542,322,0
OADMET-0005586,Cc1cccc(C(=O)O)c1NC(=O)C(O)(c1ccccc1)c1ccccc1,4.68,4.329378223419189,0.13846825627546047,36,0
OADMET-0005585,Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2,5.04,5.174626636505127,0.16516349137761002,2675,4
OADMET-0005584,Clc1ccccc1N1CCC(c2nc(-c3cccc4[nH]ccc34)no2)C1,4.05,4.616086483001709,0.11577325018943586,2674,3
OADMET-0005583,CC(C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2(C)C)C1=CCCC1,4.27,5.246528244018554,0.06115939808221437,2673,2
OADMET-0005582,O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N1CC2CCC1C2,4.85,5.612595748901367,0.06521295394430786,2672,2
OADMET-0005581,COC(Cn1nnn(-c2ccc(F)cc2)c1=O)C1CCCOC1,4.66,4.61336727142334,0.10821119152808009,2671,3
OADMET-0005580,Cc1ccc(NC(=O)c2cccn(C)c2=O)c2cccnc12,4.11,4.008551836013794,0.135680528932666,2670,4
OADMET-0005579,O=C(NCc1cc2ccccc2s1)NC[C@]12C[C@H]1COC21CCC1,4.85,4.804565715789795,0.09989795701338644,2669,0
OADMET-0005578,COc1ccc(N(C)C(=O)Cn2ncc3ccccc3c2=O)c(OC)c1,4.77,4.78542127609253,0.07816763022191667,740,2
OADMET-0005577,O=C(Cc1cccc2cccnc12)N1CCCCC1c1ncon1,4.9,5.373215389251709,0.09120681051538349,522,0
OADMET-0005576,CC(C)n1nnnc1-c1ccc(NS(=O)(=O)c2cnn(C)c2)cc1F,4.12,3.8215485572814942,0.14097443324981437,2668,1
OADMET-0005575,CC(=O)NCc1ccc(C(=O)NC(c2nc3ccccc3[nH]2)C2CCCCC2)o1,4.82,4.719323062896729,0.0779724659853066,2667,2
OADMET-0005574,COc1ccccc1N1CCC(NC(=O)Cc2noc3ccccc23)C1,5.28,5.134815120697022,0.10769077628834009,65,4
OADMET-0005573,O=C1NCCN(C(=O)NC2CCc3c(Cl)cccc32)C1c1ccccc1,4.73,4.899971389770508,0.1351595221864133,311,0
OADMET-0005572,CC(C)(C)NS(=O)(=O)NC(=O)C(C)(C)c1cccc(C#N)c1,4.77,4.8896478652954105,0.15917126645205273,2666,3
OADMET-0005571,CC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccnc2nn[nH]c12,4.75,4.997027492523193,0.15350927191795324,2665,4
OADMET-0005570,CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)c1,5.08,5.081859493255616,0.043747037400000806,2664,0
OADMET-0005569,CC(=O)NC1(c2noc(C3(C#N)CCSCC3)n2)CCCCC1,4.68,5.367843246459961,0.05094483917123149,2663,1
OADMET-0005568,Cc1cc(N)n2ncc(C(=O)NCc3cccc(O)c3F)c2n1,4.35,3.5672161102294924,0.08211943015004235,709,1
OADMET-0005567,O=C(N1CCc2nc[nH]c(=O)c2C1)C1(Cc2ccccc2)CCc2ccccc21,5.12,5.061920070648194,0.08660821094026253,2662,1
OADMET-0005566,CC(c1ccccn1)N(C)C(=O)c1nc2cc(Br)c(F)cc2[nH]1,5.31,4.642477893829346,0.08949286321105505,2661,3
OADMET-0005565,N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(COCC2CCCO2)c1,5.28,5.265073013305664,0.09024589776443143,2660,4
OADMET-0005564,COc1cccc(C(CNc2nc(C)c3ccccc3n2)N(C)C)c1,4.88,4.8591948509216305,0.15681784743366664,2659,0
OADMET-0005563,CN(CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)c1ccco1,5.18,4.626720905303955,0.07837552139468375,592,4
OADMET-0005562,O=C(c1c[nH]c(=O)c2ccccc12)N1CCCN(c2ccccn2)CC1,5.03,4.534755706787109,0.12325570322553589,2658,1
OADMET-0005561,CCOc1nccc(C)c1C(=O)N1CC[C@@H](Oc2ccccc2)C1,4.59,4.769961261749268,0.07188776782094194,321,2
OADMET-0005560,CCNC(=O)c1ccc(CNC(=O)CN(C(=O)CC2OCCc3ccsc32)C2CC2)cc1,4.8,4.347001743316651,0.04822625979191837,2657,2
OADMET-0005559,O=C(COc1ccccc1-n1ccnc1)Nc1ccc(Cl)cc1,4.96,3.8541383743286133,0.15766913952183667,2656,3
OADMET-0005558,COc1ccccc1-c1noc(C(C)NC(=O)N2CCC(C(C)O)CC2)n1,4.61,4.015131998062134,0.07270505619494576,2655,4
OADMET-0005557,C[C@@H](NC(=O)c1cnc(-c2nccs2)[nH]c1=O)c1cccc(F)c1,5.13,4.485980224609375,0.012535106568380682,2654,0
OADMET-0005556,CC(NC1CCCc2ncc(C(F)(F)F)cc21)c1cccc(C#N)c1,5.22,5.283215618133545,0.0730976660465499,2653,1
OADMET-0005555,CC(C)c1nsc(CN2CC34CCCCC3(CN(C)C4)C2)n1,4.53,3.8998871803283692,0.08129105251373842,2652,0
OADMET-0005554,O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cc(-c2cccnc2)nc2ccccc12,4.58,3.9262176990509032,0.1152128693980191,541,1
OADMET-0005553,O=C(NCC1(c2ccc(Cl)cc2)CCC1)NCC1(N2CCOCC2)CC1,4.79,5.457498168945312,0.10846845109603007,2651,1
OADMET-0005552,CCC(c1cc(Cl)cc2c1OCC2)n1cc(CN2CCOCCC2=O)nn1,5.14,4.9171679496765135,0.048989652746989125,2650,2
OADMET-0005551,CCNC(=O)C(c1cccc(OCC)c1)N1CC2CN(C(=O)CCSC)CC2C1,5.3,4.769903469085693,0.11604706000348221,2649,0
OADMET-0005550,CCN1CCCC(NC(=O)Nc2cccc3cc[nH]c23)C1=O,5.0,4.882461166381836,0.04511301106174225,739,0
OADMET-0005549,COc1ccc2ccccc2c1CNC(=O)NC1CCN(C(C)(C)C)C1,5.09,4.837544345855713,0.10833512510312328,738,3
OADMET-0005548,O=C(NC1(c2noc(C3CCCO3)n2)CCCCCC1)c1csnn1,4.83,4.074086427688599,0.07141435079062683,2648,2
OADMET-0005547,O=C(NC[C@H]1CCCO1)N1CCc2ccccc2[C@@H]1c1ccccc1,5.37,5.462904262542724,0.05437418492704895,320,1
OADMET-0005546,Cc1ccnc(COC(=O)Cc2csc3ccc(Br)cc23)n1,4.93,4.710833263397217,0.12215461312076648,2647,3
OADMET-0005545,CC1CCN(C(=O)Nc2cnn(C(F)F)c2)CC12CCC2,5.43,5.064128112792969,0.09696083652059871,2646,4
OADMET-0005544,CC(C)N1CCC(NS(=O)(=O)CC2OCCC2(C)C)C1=O,4.8,5.705074882507324,0.18832914941488946,2645,0
OADMET-0005543,Cc1nc2nc(SCc3ccc(C(F)(F)F)nc3)nn2c(C)c1C,5.1,4.8783900260925295,0.09927862380062735,2644,1
OADMET-0005542,COc1c(C)cccc1CNC(=O)NC1CCOCC12CCCC2,5.28,4.932134056091309,0.1368869854309803,2643,2
OADMET-0005541,Cc1cc(C)c2nc(NC(=O)CCOC3CCOCC3)sc2c1,4.68,5.162856769561768,0.1413858521161851,2642,3
OADMET-0005540,CN(Cc1noc(C2CC2)n1)C(=O)c1ccc2ccccc2n1,4.63,4.944839763641357,0.06896466909874302,68,2
OADMET-0005539,CC(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N,4.82,5.392978382110596,0.13337332656131412,2641,4
OADMET-0005538,O=C(c1ccn(-c2ccccc2F)n1)N1CCC(Oc2ccccn2)C1,4.43,4.612373638153076,0.1212681542469476,143,4
OADMET-0005537,O=C(c1ncnc2c1OCCO2)N1CCCC1Cc1cccc2ccccc12,5.19,5.234605312347412,0.07577121219062384,2640,0
OADMET-0005536,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2ccc(Cl)cc2n1,4.49,4.476048183441162,0.04419797866838946,322,0
OADMET-0005535,COc1ccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)cc1O,5.23,4.581822204589844,0.05299738405224784,737,4
OADMET-0005534,CCCC1(COC)CCCN1C(=O)c1sc(S(N)(=O)=O)cc1C,5.49,5.444624233245849,0.14152500165017043,248,2
OADMET-0005533,CC(CNC(=O)c1cccc2c1CNCC2)c1ccc(F)cn1,4.21,4.161807870864868,0.11815866158785425,2639,1
OADMET-0005532,O=C(NC1CCC2(CCCCC2)CC1)C1CC=CCC1C(=O)N1CCOCC1,5.22,4.166789913177491,0.08326109822590794,2638,2
OADMET-0005531,CCn1ncc(CNC(=O)Cc2nc(C(C)C)c(C)s2)c1C,4.4,4.499829483032227,0.17761044549895788,2637,3
OADMET-0005530,O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1n[nH]c2ccccc12,4.88,4.723305988311767,0.08115554672422731,736,4
OADMET-0005529,COc1cc(C(=O)NC2CCCN(c3ccccn3)C2)cc2c1OC(C)C2,5.3,4.7882918357849125,0.11017850639623869,288,3
OADMET-0005528,CN(C)S(=O)(=O)C1(Cn2c(=O)[nH]c3cc4c(cc3c2=O)CCCC4)CC1,3.86,5.078930950164795,0.1546313574429273,2636,4
OADMET-0005527,COC(=O)c1cccc(-c2nc(-c3cn(CC4CCCCNC4)nn3)cs2)c1,4.09,3.357927179336548,0.0728428346736918,2635,0
OADMET-0005526,O=C(NC1CCN(C2CC2)C1=O)C(c1cc(Cl)cc(Cl)c1)N1CCOCC1,5.07,5.048578929901123,0.09370684098539203,2634,1
OADMET-0005525,COc1ccc(-n2nnnc2CNC(C)(C)c2cccc(C#N)c2)cc1,5.54,4.922538471221924,0.13134414751513238,112,4
OADMET-0005524,CC(O)C(Nc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F,5.3,5.191293811798095,0.08570593465366803,2633,2
OADMET-0005523,O=C(Nc1c[nH]c2ccccc12)c1conc1C1CCCC1,4.43,4.591917324066162,0.16308308350492293,2632,3
OADMET-0005522,CCC(C)NC(=O)C1CSCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O,5.37,5.308987712860107,0.10095180262023634,2631,4
OADMET-0005521,C=CCC1(C(=O)OCC)CCN(C(=O)c2nn[nH]c2C2CC2)C1,4.49,4.734822082519531,0.12096163531068331,2630,0
OADMET-0005520,CCC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)nc2C)C1,4.29,5.5525494575500485,0.08574096303649298,2629,1
OADMET-0005519,Nc1nc(COC(=O)c2cncc(-c3ccccc3)c2)nc2ccccc12,4.81,4.20448579788208,0.16020862262826113,2628,4
OADMET-0005518,O=C(NCCN1CC2CCCCN2C1=O)c1cccc2scnc12,5.39,4.632319927215576,0.05843901453168331,2627,3
OADMET-0005517,O=C(CCc1cn[nH]c1)N1CC2CCN(C(=O)CC3CCCCC3)C(C2)C1,4.92,4.740531158447266,0.15995282736818536,2626,3
OADMET-0005516,Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)CNC3)n1,4.46,4.238081455230713,0.12703589443006094,2625,4
OADMET-0005515,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CC(OC(=O)NC(C)C)C3)cc2)cc1,5.1,4.538349056243897,0.12168012222497955,2624,0
OADMET-0005514,Cc1nnc(N(C)C(=O)[C@]2(c3ccccc3)C[C@@H](F)C2)s1,4.7,4.860325622558594,0.16059377236763858,330,2
OADMET-0005513,COc1ccc(-c2nnc3n2CC(C)(C)CC3)c(OC)c1,5.2,5.204255771636963,0.0897043308125324,735,0
OADMET-0005512,N#CC1(c2nnc(-c3ccc(COc4ccccc4)o3)o2)CCCC1,5.01,4.740088939666748,0.0690622153093099,2623,1
OADMET-0005511,Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cnc4cc[nH]c4c3)CCC2C)c1,4.73,4.602507495880127,0.08920586329727066,2622,2
OADMET-0005510,N#Cc1cc2c(nc1N1CCC(O)(C(F)(F)F)C1)CCC2,4.99,5.027551364898682,0.10510475905575853,329,3
OADMET-0005509,O=C(N[C@]12C[C@H]1CN(C(=O)C1(Cc3cccc(F)c3)CC1)C2)C1CCCCC1,5.68,5.501358509063721,0.10752178891437468,2621,3
OADMET-0005508,Cn1c(C2C(C3CC3)CCN2C(=O)c2nc(C3CC3)n3ccccc23)n[nH]c1=O,5.34,5.034624290466309,0.07892693516404897,2620,4
OADMET-0005507,Cc1nn(C)c2ncc(C(=O)N3CCCC3c3cccc(F)c3)cc12,5.31,5.294485950469971,0.05668812858352312,170,1
OADMET-0005506,CCC(C)n1nc(NC(=O)C2CNC(=O)c3ccccc32)cc1C,5.18,5.020153331756592,0.06671889552211253,588,1
OADMET-0005505,O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCc2c(F)cccc21,4.48,4.6292437553405765,0.09997470521467991,2619,0
OADMET-0005504,CCC1CN(c2ccccc2)CCN1C(=O)c1cc(OC)ns1,4.77,4.797968196868896,0.05562533739165845,2618,1
OADMET-0005503,Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(CC(=O)O)c1,4.95,4.654696273803711,0.11679404397711474,2617,2
OADMET-0005502,Cc1cc(Br)c2ccccc2c1NC(=O)c1cn(CCN(C)C)nn1,4.87,4.4316816329956055,0.1646893986272224,2616,3
OADMET-0005501,Cc1cccnc1C(F)(F)C(=O)N(CC1CCOC1)C1CC1,5.29,5.12700891494751,0.09125262423644956,2615,4
OADMET-0005500,CC(NC(=O)Cn1nnnc1C1CC1)c1ccc2c(c1)CCCC2,4.64,5.236232757568359,0.10241499059077618,2614,0
OADMET-0005499,CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc3c(c2)CCC3)cs1,5.17,5.0410511016845705,0.073771768962648,2613,1
OADMET-0005498,Cc1cc(C(=O)N2CCCC(CNC(=O)c3cccc4nn[nH]c34)C2)nc2ccccc12,3.8,5.175173568725586,0.11941378490180768,734,1
OADMET-0005497,C[C@H](c1ccccc1)N(CC(N)=O)S(=O)(=O)c1cnn(-c2ccccc2)c1,4.9,5.656796646118164,0.07958194476876372,2612,2
OADMET-0005496,COc1ccc(C)cc1NC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1,5.08,5.144267463684082,0.1236647306251938,2611,3
OADMET-0005495,CC(C)N1CCC(n2cc(COc3ccccc3Cl)nn2)C1=O,5.03,5.142095375061035,0.12592491149351412,2610,4
OADMET-0005494,C[C@@H](NC(=O)C1CCCc2ccnn21)c1ccc(Cl)cc1,5.36,5.19157133102417,0.13068612861265064,2609,0
OADMET-0005493,CN(Cc1ccnn1-c1ccc(F)cc1)CC(O)Cc1ccccc1,5.13,4.35836935043335,0.057669452235853735,2608,1
OADMET-0005492,O=C(CNC1CCCOc2c(Br)cccc21)NCC1CC1,5.35,5.034414768218994,0.10772899247707896,2607,2
OADMET-0005491,CC1(C)CCN(C(=O)NCc2cc[nH]n2)CC1c1ccccc1,4.84,4.962563323974609,0.14783385848131173,2606,0
OADMET-0005490,Cc1cc(CNC(=O)NC2CCc3c(Br)cccc32)on1,4.96,5.36386775970459,0.0927681376663314,319,4
OADMET-0005489,O=C(NCc1cn2c(n1)CCCC2)NC1CC(c2cccc(Cl)c2)C1,4.94,4.99105863571167,0.06524804630383908,2605,4
OADMET-0005488,O=C(NCCN1CCc2sccc2C1)c1cc2ccccc2[nH]1,5.04,4.1573854923248295,0.15592615526024375,318,1
OADMET-0005487,CC(C)n1c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc21,4.78,4.615693378448486,0.10228459320652389,2604,3
OADMET-0005486,O=C1CCc2cc(S(=O)(=O)N3CCOc4ccccc4C3)ccc2N1,4.93,4.78596601486206,0.10634779557918674,2603,2
OADMET-0005485,COc1ccccc1C1CN(C(=O)c2ccc(CCF)cc2)CCN1,4.61,4.300502681732178,0.10987257839119144,2602,1
OADMET-0005484,O=C(NCc1ccn(C2CCCC2)n1)NC1CCc2ccccc2C1,4.93,4.99785270690918,0.07926750764560166,271,4
OADMET-0005483,CCNC(=O)CN(C)C(C(=O)OC)c1ccccc1C(F)(F)F,5.17,5.029376602172851,0.1412868594896054,2601,2
OADMET-0005482,CC(NC(=O)NCc1cccc(C2(C)NC(=O)NC2=O)c1)c1nc(-c2cccc(F)c2)no1,4.99,4.778620433807373,0.15311917331422306,2600,3
OADMET-0005481,Cc1cc(CCC(=O)NC2CCC(C)(C)CC2c2ccccc2)on1,4.96,5.519010925292969,0.12223036824883533,713,4
OADMET-0005480,CCC(=O)N1CCCN(S(=O)(=O)CC2CCCC(C)C2)CC1,5.11,4.998745536804199,0.07945374588427218,2599,4
OADMET-0005479,Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)nn1)CCC2,4.7,4.491502380371093,0.06930355724605193,2598,0
OADMET-0005478,CCC(C)(CC(=O)O)NC(=O)c1c(Cl)c2ccccc2n1C,5.06,4.450331592559815,0.11371408876009469,2597,1
OADMET-0005477,N#Cc1ccc2c(c1)CC(NC(=O)c1cnc(C3CCC3)[nH]c1=O)C2,4.5,4.034961748123169,0.07167310803180067,2596,2
OADMET-0005476,COc1cccc(CC(=O)N2CCC(c3ccccc3OC)C2)c1,5.3,5.23511152267456,0.0852649820188672,102,2
OADMET-0005475,COc1cc(CCC(=O)N2CCC(Cc3ccccc3)C2)on1,4.85,4.397353744506836,0.047325353106888034,9,2
OADMET-0005474,CC1(c2cn(C(C(=O)NC(C(N)=O)c3ccc(Cl)cc3)C(C)(C)C)nn2)CCCO1,5.27,5.211680221557617,0.09819655745694747,2595,3
OADMET-0005473,COc1ccc(Cl)c(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1,4.33,4.349368286132813,0.10357850769128346,2594,4
OADMET-0005472,COc1cc(C)ccc1CNC(=O)c1ccc(F)cc1C,4.92,4.6804039001464846,0.1817540326624223,7,3
OADMET-0005471,CC(C)(C)Nc1cccc(-c2nc(CCc3cnccn3)n(C3CCC3)n2)n1,5.32,5.000225639343261,0.1097038518830221,2593,0
OADMET-0005470,O=C1CC(c2nnc(-c3ccc4ccccc4c3)o2)CN1c1c(F)cccc1F,4.23,4.66185998916626,0.08948689834608352,2592,1
OADMET-0005469,CCOc1cccc(CC(=O)N2CCC(c3ccc(F)cn3)CC2)n1,4.87,4.497698593139648,0.1116092316312865,269,4
OADMET-0005468,Cc1c(S(=O)(=O)N2CCCC(C)C2C(=O)O)oc2ccc(F)cc12,4.38,4.472006702423096,0.06802962969843147,169,0
OADMET-0005467,CCn1c(=O)c(NCc2nnc3ccc(C)cn23)nc2ccccc21,5.22,4.346141815185547,0.1686655810465129,645,4
OADMET-0005466,COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2cnc3c(cnn3C)c2)n1,4.43,4.52835865020752,0.0723362593129391,2591,2
OADMET-0005465,C[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(Cl)cn1,5.19,4.817508602142334,0.11763582944127175,2590,3
OADMET-0005464,CCN(CC(=O)NC)S(=O)(=O)c1cnc(NCC(C)C)c(C(F)(F)F)c1,4.81,5.120839309692383,0.08542748497159273,2589,4
OADMET-0005463,COc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(F)c2)CC1,5.34,4.569243431091309,0.11509226701559912,1,2
OADMET-0005462,NC(=O)[C@@H]1CC[C@H](NC(=O)N2CC(c3ccccc3)C3(CCC3)C2)C1,4.86,4.3269425392150875,0.08985021220502064,2588,0
OADMET-0005461,O=C(CC1CCCCC1)N1CCCS(=O)(=O)CC1c1ccccc1,5.23,5.080466461181641,0.1234842098636084,2587,1
OADMET-0005460,CC1c2ccc(F)cc2CCN1C(=O)c1cccc(O)c1,5.15,5.37486572265625,0.13043379407479352,2586,2
OADMET-0005459,O=C(COc1ccc2c(c1)CCCC2)NC1CCCCC1,4.72,4.653154182434082,0.09910233720945837,25,2
OADMET-0005458,C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@H](Nc2ccncc2C#N)C1,4.75,5.035015869140625,0.14034838975341074,2585,3
OADMET-0005457,CCOc1cc(N2CCC(Cc3c[nH]cn3)CC2)nc(C)n1,4.59,3.504769706726074,0.12174101669853421,2584,4
OADMET-0005456,CC(C)(C)C1(NC(=O)NCc2nc(C(F)F)no2)CCC1,5.22,5.41909761428833,0.1843983827705311,2583,0
OADMET-0005455,Cc1nc(N(C)CCN(C)C(=O)CCc2ncc[nH]2)ccc1[N+](=O)[O-],5.09,3.609892988204956,0.11005756850223918,2582,4
OADMET-0005454,N#CC(CS(=O)(=O)NCCCc1ccccc1)C1CCOCC1,4.69,4.364050769805909,0.13635161910059151,2581,3
OADMET-0005453,O=C(NCCc1ccc2c(c1)CCO2)N1CC2(CCC2)C1C1CCOCC1,4.93,5.228493881225586,0.14648193481102875,2580,2
OADMET-0005452,O=C(CN(CC1CCCO1)c1nc2ccc(F)cc2o1)N1CCCC1,4.61,4.852935886383056,0.11438038409886846,2579,2
OADMET-0005451,O=C(NS(=O)(=O)CC1CCCCC1)C1CCC(C(F)(F)F)CC1,4.3,4.18123779296875,0.12232980702399068,2578,3
OADMET-0005450,Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC3(CCC3)O2)s1,5.43,5.2889481544494625,0.07102311398673888,2577,4
OADMET-0005449,CCN(CC)C(=O)c1ccccc1Cn1cc(-c2cnc(F)cc2C)nn1,5.32,5.429763221740723,0.03852259212329393,2576,0
OADMET-0005448,O=C(OCc1cccc(F)c1F)C1CC(O)CN1C(=O)c1ccc2ccccc2c1,5.31,4.552911376953125,0.1008388232270759,2575,1
OADMET-0005447,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1Cl,5.07,4.39715166091919,0.14791523815361632,480,0
OADMET-0005446,Cc1cccc(C)c1-n1cc(CNC(=O)C(F)(F)F)nn1,5.24,5.502390956878662,0.16194036183260163,2574,2
OADMET-0005445,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1,4.5,4.032897853851319,0.12119477242697133,733,3
OADMET-0005444,Cn1nc2c(c1S(=O)(=O)Nc1ccc(F)c(O)c1F)CCCC2,4.57,4.623013687133789,0.08338075764912278,2573,3
OADMET-0005443,O=C(NC1CCS(=O)(=O)C1)NC1(Cc2ccc(Br)cc2)CCCCC1,5.61,5.083888053894043,0.10700319381549703,2572,4
OADMET-0005442,O=C(NCc1cncc(O)c1)[C@H]1CCCC[C@H]1c1ccccc1,5.03,4.778465747833252,0.13121354423972093,438,4
OADMET-0005441,Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1,4.56,4.985592174530029,0.1331995068623457,247,3
OADMET-0005440,CS(=O)(=O)c1ccc(Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1,5.01,4.947765254974366,0.06185935888597713,2571,0
OADMET-0005439,CSC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1,4.46,4.825564765930176,0.09649392583556513,2570,1
OADMET-0005438,Cc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1,4.63,5.072607898712159,0.11916385032216074,126,2
OADMET-0005437,COC(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)n1C,5.16,4.994398880004883,0.10417472809997332,670,3
OADMET-0005436,Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1noc2c1CCCC2,4.58,5.169370460510254,0.09393838656515369,2569,1
OADMET-0005435,O=C1N(CCc2c[nH]c3c(Cl)cccc23)C(=O)C23CC(CN12)C3,5.18,5.407840633392334,0.1490533835923278,2568,3
OADMET-0005434,CSC1(CNC(=O)C2COc3cc(F)ccc3C2)CCC1,5.01,4.732565021514892,0.1221701155695563,2567,4
OADMET-0005433,CC(C)Cn1cc(C(=O)NCC2CCCC(C)(C)O2)cn1,4.78,4.991245269775391,0.17162334673584612,313,3
OADMET-0005432,Cc1c(C(=O)NCC2CCCC(C)(C)O2)nnn1C(C)C,5.48,4.809548950195312,0.15864898966463506,313,3
OADMET-0005431,CC1CCCCN1C(=O)c1ccc(NCc2cc(=O)n(C)c(=O)n2C)cc1Cl,5.04,4.980180358886718,0.09728375467405825,2566,0
OADMET-0005430,O=C(NC1(c2ncccn2)CCOCC1)c1cc2c(s1)CCC2,4.75,4.93341064453125,0.1471104795654173,732,2
OADMET-0005429,CC(C)C(NS(=O)(=O)C1CCOC1)c1ccc(F)cc1F,4.97,4.843230819702148,0.055857150026871125,2565,1
OADMET-0005428,CNC(=O)C1Cc2ccccc2N1C(=O)c1cccc(OCC(F)(F)F)n1,5.0,4.7686357498168945,0.13934708317879052,259,3
OADMET-0005427,COc1ccc(CC(=O)N2CC(C(N)=O)Cc3ccccc32)c(C)c1,4.7,4.599741268157959,0.1134369820544407,2564,2
OADMET-0005426,O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(O)(c2ccc(F)cc2)C1,5.16,5.000868225097657,0.19583147329735381,2563,3
OADMET-0005425,Cc1nc(C(=O)NC2CC(F)(F)C2)nn1-c1ccccc1C(C)C,5.88,5.395409965515137,0.08111671025939807,2562,4
OADMET-0005424,Cc1ccc2oc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)cc2c1,3.9,4.268447208404541,0.13147573751428718,2561,0
OADMET-0005423,Cc1cnc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1C,5.19,4.3880890846252445,0.12135344021303188,41,4
OADMET-0005422,CC(C)Cc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1,4.86,4.503358840942383,0.1298595877365497,41,4
OADMET-0005421,Cc1noc(CCNC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)n1,4.68,4.499888706207275,0.12490120891736496,2560,1
OADMET-0005420,O=C(NCc1ccc2ncccc2c1)C1(S(=O)(=O)c2ccccc2)CCCCC1,5.25,4.907913589477539,0.07120347854849146,278,1
OADMET-0005419,Cn1nc(C(=O)NC2CCCOc3c(F)cccc32)cc1C(F)F,5.38,4.718907356262207,0.12188484460795788,698,4
OADMET-0005418,CN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)C1CCCc2c1cnn2C,4.84,4.533666610717773,0.11593110677074517,2559,0
OADMET-0005417,Cc1cc(NC(=O)CN(C)c2ccc(F)c(Cl)c2)n(C2CCS(=O)(=O)C2)n1,4.88,4.841291236877441,0.0682583346269305,324,4
OADMET-0005416,CC1(C)CN(C(CNC(=O)c2cnn3cccnc23)c2ccc(Cl)cc2)CCO1,5.28,4.915421009063721,0.10098520407703543,100,2
OADMET-0005415,O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(c2ccco2)C1,4.79,4.795418739318848,0.05383248680321079,2558,1
OADMET-0005414,CC(C)(CNC(=O)c1cnc2cc[nH]c2c1)C1CCOCC1,4.42,3.7970916748046877,0.155585505565361,566,0
OADMET-0005413,Cn1nc(-c2ccco2)cc1NC(=O)NC(c1ccccn1)C1CC1,4.22,5.021982574462891,0.11756112168169072,731,3
OADMET-0005412,O=C(NC1COc2cc(F)cc(F)c21)c1ccccc1OC(F)F,4.89,5.555500030517578,0.12146609979307944,2557,2
OADMET-0005411,Cn1nncc1S(=O)(=O)NCC1CCCc2ccccc21,4.91,5.194304275512695,0.11768145894104619,2556,0
OADMET-0005410,O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccnc(NC(=O)C2CC2)c1,5.15,4.706840896606446,0.0745256046944761,571,0
OADMET-0005409,O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCCCCO1,4.89,4.820864200592041,0.11459715548334194,2555,2
OADMET-0005408,CCn1cc(CS(=O)(=O)Cc2nc3c(s2)CC(C)(C)CC3)nn1,5.82,4.907121372222901,0.15316915787099217,2554,3
OADMET-0005407,O=C(NC1CCCN(c2cccc(F)c2)C1)c1ccnn1C1CCC1,5.17,4.934075355529785,0.05876179381115589,100,2
OADMET-0005406,CC1=C(C)CN(C(=O)NCC(=O)N2CCc3ccccc32)CC1,4.69,5.512598991394043,0.11209233137287364,2553,4
OADMET-0005405,Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H]3CCOC3)c2)o1,4.56,4.6279497146606445,0.0834979606256845,2552,0
OADMET-0005404,O=C1NC2(CCCC2)C(=O)N1CCc1nc(C2(c3ccccc3)CCC2)no1,5.31,5.375889873504638,0.0883057971614501,2551,1
OADMET-0005403,CCC1(CC)CNC(=O)C1NC(=O)c1n[nH]c2c1CCC2,4.98,4.910450553894043,0.18636547512575485,279,3
OADMET-0005402,CC(Oc1ccc(Br)cc1)C(=O)NC1CCCCC1CO,5.1,4.727262115478515,0.14418401715279028,2550,2
OADMET-0005401,O=C(N1CCCC(n2ccnn2)C1)C1(C(F)(F)F)CCCC1,4.15,4.865685081481933,0.1234602288079741,39,2
OADMET-0005400,Cn1cc([C@H]2[C@H](CNc3ccc(OC(F)F)cn3)CC(=O)N2C(C)(C)C)cn1,4.83,4.32177505493164,0.18145617789510465,562,2
OADMET-0005399,CC(NS(=O)(=O)c1cnn(C)c1)c1nc(C(C)(C)C)cs1,4.98,5.342486763000489,0.09570387797247985,2549,3
OADMET-0005398,O=C(Cc1ccc2cn[nH]c2c1)NC1CC1c1ccccc1Cl,4.93,5.497805404663086,0.07209887981494252,2548,4
OADMET-0005397,CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(F)c1,4.53,4.679533767700195,0.17594168800767804,2547,0
OADMET-0005396,NC(=O)C1CC(C(=O)N2CCc3ccc(F)cc32)=NN1c1ccc(F)cc1,4.29,4.692644309997559,0.0977665797373687,2546,1
OADMET-0005395,Cc1nc(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cn1C,4.2,4.682527351379394,0.14846148246147628,2545,2
OADMET-0005394,CC1C(c2ccccc2)CCN1C(=O)c1ccc(NS(C)(=O)=O)cc1,5.26,5.220265483856201,0.08874439524503024,730,2
OADMET-0005393,Cc1[nH]ccc1C(=O)NC(c1ccccc1)c1nccs1,4.4,4.6179605484008786,0.0782761966555431,694,1
OADMET-0005392,CN1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc23)CC12CCOC2,4.43,4.339838600158691,0.07982271905614688,2544,3
OADMET-0005391,COc1ccc(NC(=O)N2Cc3ccccc3NC(=O)C2C)c(C)n1,4.54,4.043535041809082,0.051272855339934295,2543,4
OADMET-0005390,O=C(NCc1cc[nH]n1)N1CCc2cc(-c3cccc(F)c3)ccc21,3.34,4.612394523620606,0.09452939429230758,2542,0
OADMET-0005389,O=C(Cn1ncc2ncccc21)N(Cc1ccccc1F)C1CC1,4.87,4.848889541625977,0.04614460486764504,2541,1
OADMET-0005388,O=C(NC(CN1CCCC1=O)c1ccccc1)c1cccc2[nH]cnc12,6.06,4.901954555511475,0.058112454467457435,729,4
OADMET-0005387,COc1cnc(C(=O)NCC(NC(=O)OC(C)(C)C)C2CC2)c(F)c1,4.79,5.261030387878418,0.12431812362593643,2540,2
OADMET-0005386,CNC(=O)CN1CCC(c2ccccc2)c2ccccc21,4.88,4.430274105072021,0.21755772742928559,2539,3
OADMET-0005385,CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnn3ccncc23)cc1,4.57,4.688871002197265,0.17098964518275953,2538,4
OADMET-0005384,Cc1noc(CC(NC(=O)Cc2cccc(N3CCCC3=O)c2)c2ccccc2)n1,4.62,4.969206523895264,0.08156889528362145,2537,0
OADMET-0005383,CC(CC(=O)NC1CCC2(CC1)N=N2)c1ccc(F)cc1,4.18,4.713781261444092,0.15122464992859147,127,4
OADMET-0005382,Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nnn1C,4.74,5.135717582702637,0.13532594662387484,2536,1
OADMET-0005381,COc1cccc(C2(C(=O)NCCn3cnc4ccccc43)CC2)c1,4.59,5.04948320388794,0.05172422982080021,2535,4
OADMET-0005380,Cc1c(NC(=O)C(F)C(F)(F)F)c(=O)n(C2CCCCC2)n1C,4.16,5.006262111663818,0.07237563487633274,2534,3
OADMET-0005379,CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(c4ccccc4F)C3)sc2c1,4.34,4.278287887573242,0.033310501112250944,97,0
OADMET-0005378,O=C(NC(c1cc(F)ccc1F)C(F)F)c1nc2cnccc2s1,4.89,4.867202091217041,0.06220275190307138,2533,3
OADMET-0005377,Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN4C(=O)NCC4C3)c2c1,4.91,5.153545284271241,0.08154633030092093,2532,4
OADMET-0005376,Cn1ccc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)cc1=O,4.8,5.430963516235352,0.09284550492089043,2531,0
OADMET-0005375,CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCNC(=O)c3ccc(O)cc3)c12,4.53,4.318505668640137,0.07517196461056327,2530,1
OADMET-0005374,Cc1ccccc1NC(=O)NC(C)C1(O)CN(C(=O)OC(C)(C)C)C1,4.68,4.528285694122315,0.12442796839127448,2529,2
OADMET-0005373,COc1ccnc(N2Cc3ccccc3OC3(CCOCC3)C2)n1,5.19,4.700068092346191,0.10988155431013914,2528,3
OADMET-0005372,Cc1cc(NS(=O)(=O)CCc2cccc(F)c2)cnc1C,5.23,4.946715641021728,0.16124269843284098,273,2
OADMET-0005371,Cc1nc(-c2cccs2)sc1C(=O)N1CCCC(N2CCNC2=O)C1,4.69,4.114622402191162,0.09914871050044471,728,0
OADMET-0005370,NC(=O)c1cc(NC(=O)c2csc(C3CCCCC3)c2)c[nH]1,4.5,4.71397819519043,0.1913545461177317,2527,4
OADMET-0005369,CCOc1ccc(-c2cn(CCC3CCCO3)nn2)cc1,4.15,4.3852783203125,0.07341824686829464,2526,0
OADMET-0005368,CC(NC(=O)CNC(=O)C1c2ccccc2C(=O)N1C1CC1)c1ccccc1,3.98,4.642491722106934,0.10061880756360556,2525,1
OADMET-0005367,CN(C(=O)c1cc(O)n(C)n1)c1ccc(OCc2ccccc2)cc1,4.75,3.7846540927886965,0.2125178360981704,95,1
OADMET-0005366,NC(=O)c1cc(N2CCCC2c2ccc(Cl)cc2)ncn1,4.83,5.319983768463135,0.06264165574448204,2524,2
OADMET-0005365,CCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC,4.9,4.8323493003845215,0.11796190845308022,2523,3
OADMET-0005364,CC(=O)Nc1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1,4.62,4.627342700958252,0.06160488056351199,2522,4
OADMET-0005363,CC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1,4.84,4.620380687713623,0.1325379394506022,2521,0
OADMET-0005362,Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)c3ccccc3n2)o1,4.58,4.626362705230713,0.029081928514455707,50,2
OADMET-0005361,CN(C)S(=O)(=O)N1CCCC(NC(=O)c2ccc(Cl)cc2)C1,5.11,4.572200584411621,0.1731901721860047,196,3
OADMET-0005360,CN(C)c1nc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)ccc2[nH]1,3.98,4.7618921279907225,0.12938399075056695,161,2
OADMET-0005359,O=C1NC(=O)C2(CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)N1,4.47,4.622137832641601,0.10416945151698297,2520,1
OADMET-0005358,COCCN1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)CC1=O,4.43,4.002302789688111,0.14487624860305212,2519,2
OADMET-0005357,Cc1nnccc1NC(=O)NCc1nc(C(C)(C)C)co1,4.78,4.579892158508301,0.1293242225904081,281,1
OADMET-0005356,CCn1cnc2c1CCN(C(=O)Nc1cnc(-c3ccccc3)nc1)C2,4.72,3.7497817993164064,0.0926551466033687,2518,3
OADMET-0005355,CC(C)C1(C(=O)[O-])CC1C(=O)NC(C)(C)Cc1ccc(C#N)cc1,4.41,4.8613356590271,0.16699714039073238,2517,4
OADMET-0005354,O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccnn1-c1ccccc1,4.45,4.660379123687744,0.10538321026265497,590,2
OADMET-0005353,CC(C(=O)NS(=O)(=O)C1CCc2ccccc21)n1ccc(C(F)(F)F)n1,4.26,5.073375511169433,0.0672821058676065,2516,0
OADMET-0005352,O=C(CCS(=O)(=O)c1cccc(Br)c1)Nc1ncn(Cc2cccc(F)c2)n1,5.17,5.160544204711914,0.14287787850818312,2515,1
OADMET-0005351,CC1(C2CC2)COCCN1Cc1nnc(-c2cccc(O)c2)o1,4.41,4.523565864562988,0.08790702515700671,2514,2
OADMET-0005350,N#Cc1cccc(CC(=O)NCCNc2ccc3ccccc3n2)c1,4.71,4.787642002105713,0.11720512512699584,2513,2
OADMET-0005349,CC(C)c1nccn1CC(=O)N1Cc2ncccc2N2CCC[C@H]2C1,4.8,4.569505500793457,0.10560347474288964,165,4
OADMET-0005348,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1,4.5,4.653951835632324,0.08959683591871688,14,1
OADMET-0005347,Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1,4.51,4.445933437347412,0.03155375201436904,600,0
OADMET-0005346,COc1ccccc1C(=O)NCC(=O)NC1CCN(c2ccccc2OC)CC1,4.51,4.703018760681152,0.20751844673044273,7,3
OADMET-0005345,CC(C)n1ccc2cc(C(=O)NC3CCOC(C)(C)C3)ccc21,4.87,5.160871124267578,0.14135709138133487,2512,0
OADMET-0005344,O=C1CN(C(=O)CCC(=O)N2CCC2c2ccccc2)c2ccccc2N1,5.04,5.269975662231445,0.05416504775574781,726,1
OADMET-0005343,Cc1ccccc1-c1nnsc1C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O,3.98,4.652057743072509,0.13493142503640326,707,3
OADMET-0005342,O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)N1CCC2(COC2)C1,5.2,5.504833602905274,0.04594963232193229,2511,4
OADMET-0005341,CN(C)c1cccc(CNC(=O)C2CN(C(=O)C3CCCCC3)C2)n1,4.33,4.45023136138916,0.10809412498668909,310,4
OADMET-0005340,Cc1ccc(-c2cncc(C(=O)NCc3cscn3)c2)cc1,4.22,3.0662792682647706,0.07038874804590936,2510,3
OADMET-0005339,COCC(c1ccc(F)cc1)N(C)c1nc2nccnc2s1,4.44,4.902515602111817,0.14348707059601848,2509,2
OADMET-0005338,CN(CC(=O)N1CC=CC(NC(=O)C2Cc3cc(F)ccc3O2)C1)C(=O)c1cccs1,5.06,4.084779834747314,0.15631188708677018,2508,3
OADMET-0005337,O=C(NC1(C2CCSCC2)CC1)c1cncc(-c2ccccn2)c1,4.87,4.710271739959717,0.07125174125169843,2507,4
OADMET-0005336,CCOC(C)c1nc(-c2cn(C)nc2C)n(-c2ccc(C(C)C)cc2)n1,4.75,5.0619072914123535,0.04582652247965199,2506,0
OADMET-0005335,Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(=O)Cc3ccc(C)cc3)cc2)cc1,4.35,3.866771936416626,0.08969700009749394,168,1
OADMET-0005334,O=C(c1cc(-c2ccccn2)ns1)N1CCCC(c2cc(O)cc(F)c2)C1,4.47,4.988514137268067,0.09649909572242305,2505,1
OADMET-0005333,COC(CNS(=O)(=O)CCOC1CCC1)c1cccc(F)c1,5.27,4.808451080322266,0.13637222794314666,2504,2
OADMET-0005332,Cc1c(Cc2ccc3c(c2)OCO3)sc2nc(-c3cccnc3)[nH]c(=O)c12,4.98,4.815980434417725,0.15346585954571773,2503,3
OADMET-0005331,CCOc1cccc(NC(=O)N2CCN(C3CC3)C(C(N)=O)C2)c1,4.46,3.6802791595458983,0.10488338939803102,2502,4
OADMET-0005330,CC(c1ccsc1)N1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1,4.21,3.8824612140655517,0.13328845212050483,2501,0
OADMET-0005329,Cc1cc(CC(C)NC(=O)NC2COc3c2ccc(C)c3C)n[nH]1,4.62,5.3797101974487305,0.1098603165606491,2500,1
OADMET-0005328,Cc1cccc(Cn2nccc2NC(=O)c2cnc3snc(C)c3c2)c1,4.74,4.7838438034057615,0.06915632076842593,720,0
OADMET-0005327,Cn1cncc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO,4.4,3.874667263031006,0.12867813192348987,2499,2
OADMET-0005326,Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)C1(C(F)(F)F)CC1,4.4,4.948258781433106,0.1324705693937391,498,3
OADMET-0005325,NS(=O)(=O)c1sccc1CNC1Cc2ccc(Cl)cc2C1,5.14,4.777761554718017,0.0989926924392502,2498,3
OADMET-0005324,CCC1(Cn2cc(-c3cccc(C(F)(F)F)n3)nn2)COC1,4.08,4.8727113723754885,0.1216116345412642,2497,4
OADMET-0005323,Cc1cc(CNc2ccc(Cl)c(C#N)n2)nc(N2CCCC2)n1,5.02,5.405312156677246,0.09203463419068769,2496,0
OADMET-0005322,Cn1c(C2C(C3CC3)CCN2c2nccc(C#N)c2Cl)n[nH]c1=O,4.88,4.928868579864502,0.19211374934023653,2495,1
OADMET-0005321,CNCCCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1,4.29,3.178500461578369,0.05952548037103593,2494,2
OADMET-0005320,CC(NC(=O)C1(C)Cc2ccccc2N1)c1ccc2[nH]c(=O)oc2c1,4.54,4.864706993103027,0.06335456836784635,2493,3
OADMET-0005319,COc1ccccc1C(C)NC(=O)CN1CCCC1Cn1cncn1,5.04,4.6581696510314945,0.11057420419114264,727,1
OADMET-0005318,OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCCC1,4.42,4.22033109664917,0.16721093179966498,648,3
OADMET-0005317,CCC(C)Cc1nc(-c2cn(CCCF)nn2)n(-c2cccc(NC(C)=O)c2)n1,5.34,4.6513162612915036,0.14691292716184629,2492,4
OADMET-0005316,Cc1cc(C)cc(OCc2nnc(N3CCc4ccc(O)cc4C3)n2Cc2cccs2)c1,5.07,5.066770935058594,0.05966526780218755,2491,0
OADMET-0005315,O=C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2cnccc2N1,4.77,4.757999610900879,0.10920369454491852,608,4
OADMET-0005314,COC(=O)c1cc(-c2ccoc2)n(CC2CCCCO2)n1,4.34,4.757198810577393,0.1282586147762372,2490,1
OADMET-0005313,CC(C)(C)O[C@H]1C[C@H](n2cc(C(C)(O)Cc3ccccc3)nn2)C1,5.06,4.927166366577149,0.06906605017599848,504,3
OADMET-0005312,C[C@H](c1ccccn1)n1cc(-c2ccn(CC(F)(F)F)n2)nn1,4.57,4.617764091491699,0.09238946389968261,2489,0
OADMET-0005311,O=C(NCc1nc2c(s1)CCCC2)C1COc2ccc(O)cc2O1,4.7,4.559031772613525,0.07827330303106708,2488,4
OADMET-0005310,CC(C)Oc1ccc(-c2cn(C3CCc4cccnc43)nn2)cn1,5.14,4.920204734802246,0.14036731855454762,2487,3
OADMET-0005309,Cc1c(NC(=O)c2cc(Cl)cn2C)cnn1C1CCCC1,4.64,4.371885299682617,0.1136614400530852,2486,3
OADMET-0005308,Cc1oc(C(C)(C)C)cc1C(=O)N1CCc2c(ncn2C)C1,4.49,5.392243576049805,0.0508925883123811,569,2
OADMET-0005307,O=S(=O)(Cc1ccc(F)cc1)N1CCCC1c1cccnc1,4.55,5.164810752868652,0.06892071325152652,2485,4
OADMET-0005306,O=C1Cc2cc(CCCC(=O)N3CCC3c3ccc(F)c(F)c3)ccc2N1,5.16,5.356648063659668,0.08121727015552334,726,1
OADMET-0005305,CCC(C)NC(=O)C(C)Sc1nnc(-c2ccc(OC)cc2)n1CC1CCCO1,4.64,5.121901988983154,0.10327650481217227,2484,0
OADMET-0005304,Fc1cccc2c1CC[C@@H]2n1cc(C2CCCNC2)nn1,4.6,5.20647439956665,0.13607191753878048,2483,1
OADMET-0005303,Cc1cccc(Cl)c1S(=O)(=O)N1CC(N2CCNC2=O)C1,4.98,4.737681102752686,0.0811340957924618,2482,2
OADMET-0005302,Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3Cl)n2)c(C)c1,4.96,4.768857192993164,0.03997240645878241,514,0
OADMET-0005301,Cc1c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)C(C)C2)[nH]c(=O)c2ccccc12,4.68,4.720642948150635,0.10923757210088414,2481,3
OADMET-0005300,CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2nc(C)cs2)CC1,4.38,5.082871341705323,0.03380845242063769,725,0
OADMET-0005299,CC(C)(C)CCNC(=O)N1C[C@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1,4.56,5.109633064270019,0.11256778025823391,2480,4
OADMET-0005298,CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncnc3ccccc23)C1,4.26,3.2088637828826903,0.1440669564348443,2479,0
OADMET-0005297,O=C(N1C[C@H]2CCS(=O)(=O)[C@H]2C1)C1(c2cccc(F)c2)CC1,5.23,5.108939361572266,0.13974025373429852,2478,1
OADMET-0005296,O=C(NC(c1ccc(F)c(Cl)c1)C1CC1)c1nc2ncccn2n1,4.43,5.465792942047119,0.05537647134060859,724,4
OADMET-0005295,COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)cc1,5.27,4.204684543609619,0.11840632700155805,23,3
OADMET-0005294,Cc1ncc(C(=O)N(CC2CCCCC2)c2ccccn2)c(C)n1,4.97,4.391422462463379,0.10465293259696837,723,2
OADMET-0005293,CC(NC(=O)[C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1F,4.6,4.365885162353516,0.18602772352536737,2477,2
OADMET-0005292,COc1cccc(C(O)CNC(=O)COc2ccc3ccccc3c2)c1,4.39,4.63763313293457,0.11406865985282805,30,1
OADMET-0005291,CCCN(Cc1cc(F)ccc1F)C(=O)c1ccc2ncn(C)c(=O)c2c1,4.65,4.608320903778076,0.10584147269611938,2476,2
OADMET-0005290,COc1cccc(C2CCN(C(=O)Cc3cc(C)on3)CC2)c1,5.16,4.510850524902343,0.08341073367309765,102,2
OADMET-0005289,Cc1cc(C)n(CCCC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1,5.12,4.607125568389892,0.12176135517539874,274,3
OADMET-0005288,Cc1nc2ccccn2c1CNC(=O)c1c(-c2ccccc2Cl)noc1C,4.53,4.348890018463135,0.04410764048514013,29,0
OADMET-0005287,Cc1cccn2cc(C(=O)Nc3c4c(nn3C)CCCC4)cc12,4.73,4.469910717010498,0.24079536540690338,2475,4
OADMET-0005286,O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)C1CC12CCS(=O)(=O)CC2,3.26,4.749074268341064,0.20347864064245205,286,2
OADMET-0005285,CC(C)Cn1ncc2cc(C(=O)NCC[C@H]3CCCC[C@H]3O)cnc21,4.79,5.18710355758667,0.05706648355693069,270,2
OADMET-0005284,CN1CCOC(CN(CC2CC2)S(=O)(=O)c2ccc3c(c2)CCCO3)C1,4.93,5.374258708953858,0.1278838222903553,549,2
OADMET-0005283,CSCc1ccccc1NC(=O)CN(C)[C@@H]1CCC[C@H]1O,4.46,4.860468196868896,0.04807171591284331,722,3
OADMET-0005282,Cc1ccc(Cl)cc1NC(=O)C(C)N1CCOC2(CCOC2C)C1,4.54,4.852167224884033,0.023073372269835565,2474,0
OADMET-0005281,Cn1nc(C(=O)N2CCc3ccccc3C2CO)cc1C(F)F,4.42,4.830687236785889,0.13266621566690537,545,4
OADMET-0005280,CC(C)C1c2ccccc2CCN1c1ncc(C#N)cc1F,5.02,5.438408851623535,0.16264669349287897,543,3
OADMET-0005279,CC(C)(C)OCc1cccc(NC(=O)c2cnn3ncccc23)c1,5.39,5.1955413818359375,0.09973633637379109,2473,1
OADMET-0005278,Cc1cc(=O)[nH]cc1C(=O)NC1(c2ccc(Cl)cc2)CCCCC1,4.78,5.127965450286865,0.050176309676398065,2472,2
OADMET-0005277,Cc1cccc(CC2(O)CCN(C(=O)c3cn4ccccc4n3)CC2)c1,4.38,4.185284805297852,0.12494848877252894,160,3
OADMET-0005276,Cn1nc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1C1CC1,4.92,5.389761829376221,0.0533593739653047,706,4
OADMET-0005275,Cc1ccccc1C(C)C(=O)NCc1nccc(C(F)(F)F)n1,4.43,4.51257734298706,0.05295316657164627,528,1
OADMET-0005274,COc1ccccc1-c1ccc(C(C)NC(=O)C2(C(=O)O)CC2)cc1,4.26,3.9831429958343505,0.17093079501414865,2471,3
OADMET-0005273,CCc1noc(C)c1NC(=O)N1CCC(c2cc(C)ccc2C)CC1,4.13,4.8512123107910154,0.10641664855232227,2470,4
OADMET-0005272,COc1ccc2c(c1)C(C(=O)Nc1nccnc1C(C)C)CC2,4.3,4.7769920349121096,0.11330180447882246,166,3
OADMET-0005271,COc1cc(C(=O)N2CCC(OC(C)C)CC2)c2ccccc2n1,4.45,5.0560962677001955,0.1278144170019429,143,4
OADMET-0005270,Cc1ccc(OCCC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1C,4.28,4.311782264709473,0.10799878292864125,2469,0
OADMET-0005269,COc1cccc(C(=O)Nc2nnc3n2CCCC3)c1O,4.58,3.6159972190856933,0.15390689106594616,2468,1
OADMET-0005268,COc1cc(F)c(NC(=O)C2CCCN2C(=O)c2ccccc2O)cc1F,4.73,4.17901029586792,0.10813774638467921,167,2
OADMET-0005267,CCO[C@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1,4.24,4.590150928497314,0.14362364350228546,102,2
OADMET-0005266,CC1OCCC1(C)NC(=O)c1ccc(-c2ccccc2F)o1,5.09,4.912006950378418,0.11874534819303989,2467,2
OADMET-0005265,COc1ccc2c(c1)C(Nc1nccc3nccnc13)CCC2,5.0,4.693641662597656,0.034677749983794984,166,3
OADMET-0005264,C=C[C@@H]1OCC[C@H]1NC(=O)c1cnn(CC(C)C)c1C(F)F,4.75,4.888956546783447,0.08108392136293069,2466,1
OADMET-0005263,COc1ccc(CC(=O)N2CCCC2c2ccc(OC)cn2)cc1,5.08,4.6221822738647464,0.10695938831820037,2465,3
OADMET-0005262,CC1(O)CCCN(C(=O)c2ccc3c(c2)C(C)(C)CO3)C1,4.24,4.727989768981933,0.14139361274347534,2464,2
OADMET-0005261,Cn1c(C2COc3ccccc3O2)nnc1N1CCOC2(CCCCCC2)C1,5.05,5.030371570587159,0.09988673457065543,657,2
OADMET-0005260,Cc1ccc(-c2noc(C3CC34CCOC4)n2)cc1N1CCCC1,4.55,4.787981128692627,0.0829548547917588,2463,0
OADMET-0005259,COC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1OC,4.38,4.98848066329956,0.07052024262065144,177,4
OADMET-0005258,NC(=O)c1ccc(OCC(=O)N2CCCC2Cc2ccccc2)cc1,4.36,4.5984193801879885,0.09651898911054471,25,2
OADMET-0005257,CCc1ccc(-c2noc(C(C)NS(=O)(=O)Cc3ccccc3)n2)cc1,5.46,4.732380008697509,0.07050248206337024,184,1
OADMET-0005256,Cc1cnn(CC2CN(C(=O)NC(C)c3ccc(C)c(F)c3)CCO2)c1,4.93,4.533804225921631,0.11406605151113386,174,2
OADMET-0005255,O=C(Cc1ccccc1F)N1CCN(C(=O)c2cccc3c2CCC3)CC1,5.3,4.447482585906982,0.1315366899893149,104,1
OADMET-0005254,CC(CNc1nccc(C(F)(F)F)n1)CN1CCOCC1,4.04,3.905228328704834,0.08000904137003495,2462,4
OADMET-0005253,CC[C@H](C)[C@H](NCc1ccc(Br)c2cccnc12)C(=O)O,4.51,4.765949153900147,0.1846803416182757,2461,0
OADMET-0005252,CCC(Oc1ccccc1F)C(=O)NC1(c2ncon2)CCC1,4.86,5.20038423538208,0.08778856404355616,2460,1
OADMET-0005251,O=C(Cc1cn2ccccc2n1)N1CC[C@H]2CC[C@]21c1cccnc1,4.53,4.602748584747315,0.08480930722240089,2459,2
OADMET-0005250,CCn1nncc1CNC(=O)C(OC)c1ccccc1C(F)(F)F,4.35,4.894079399108887,0.14838831142796413,2458,3
OADMET-0005249,O=C(Cc1cccc(C(F)(F)F)n1)N1CCCC(n2ccnn2)C1,4.7,4.979250049591064,0.049433884542987215,39,2
OADMET-0005248,CC(NC(=O)C(=O)NC1CCCc2c1cnn2C)c1cccc(NC(=O)c2ccccc2)c1,4.53,4.602228450775146,0.06865293335560213,2457,4
OADMET-0005247,COc1ccc([C@@H](C)NC(=O)c2cn3c(n2)COCC3)cc1C,4.72,4.388929557800293,0.07570543555315815,2456,0
OADMET-0005246,O=C(Cc1coc2c(F)c(F)ccc12)N[C@H]1CCC[C@H]1n1ccnc1,4.81,5.155456066131592,0.08052374208422099,2455,1
OADMET-0005245,CN(CC(=O)NCCc1cn(C)c2ccccc12)[C@@H]1CCC[C@H]1O,5.01,4.2979813575744625,0.047242183818713514,722,3
OADMET-0005244,CCOC(=O)c1ccc(N2CCc3ccccc3C2C)nc1,4.81,5.554389476776123,0.10124174307854152,2454,2
OADMET-0005243,CN1C(=O)CN(C(=O)c2cnn(C3CCC3)c2)c2ccccc21,3.98,4.639980602264404,0.023356714470531555,721,3
OADMET-0005242,COc1ccc(C(=O)NCC2(C)CCCCO2)cc1-n1cnnn1,4.46,3.9596919059753417,0.10322093559087937,2453,3
OADMET-0005241,O=C1NCCCN(C(=O)c2cc3cccn3cn2)C1Cc1ccccc1,4.3,4.622841548919678,0.1400363784652911,101,1
OADMET-0005240,CC(C(=O)Nc1ccc2c(c1)OCO2)N1CC(C)(C)OC2(CCOC2)C1,4.24,5.244218063354492,0.044873271194679584,2452,4
OADMET-0005239,CC1(C)C(c2cc(NC(=O)c3cc4n(n3)CCCO4)[nH]n2)C1(C)C,5.15,4.5848945617675785,0.12858350416168268,2451,0
OADMET-0005238,CCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccco1,4.73,5.330687141418457,0.07970085096446207,2450,1
OADMET-0005237,O=C(Cn1cnccc1=O)N(C1CCCCC1)C1CCCCC1,4.47,4.233965110778809,0.07221933849597531,2449,2
OADMET-0005236,COC1(C(F)(F)F)CN(C(=O)c2oc(-c3ccccc3)nc2C)C1,5.19,4.787676811218262,0.07581088832137833,2448,3
OADMET-0005235,COc1ccc2c(c1NC(=O)N1CCC(O)(C3CCC3)CC1)CCC2,4.54,5.4362060546875,0.08147563320038323,2447,4
OADMET-0005234,COc1c(C(=O)N2CCC(Cc3nccs3)C2)[nH]c2ccccc12,4.87,4.473170948028565,0.046205541476470366,2446,0
OADMET-0005233,N#Cc1cccnc1Oc1ccc(-n2ncc3ccccc32)cc1,4.88,4.3535816192626955,0.12118521020852308,2445,1
OADMET-0005232,O=C(c1onc2c1CCCC2)N1Cc2ncccc2N2CCC[C@H]2C1,5.45,5.203501892089844,0.10665022301485455,165,4
OADMET-0005231,O=C(Nc1cc(C2CCOCC2)on1)NC(CCO)c1ccc(Cl)c(Cl)c1,4.81,4.343506336212158,0.04718134698256124,2444,2
OADMET-0005230,COc1cc(CCC(=O)N2CCC(c3cc(C)n[nH]3)CC2)ccc1OCC(F)(F)F,5.21,4.429093647003174,0.10343887401626993,2443,3
OADMET-0005229,COc1ccc2c(c1)C(CCNC(=O)C(C)(O)C(F)(F)F)=CC2,4.6,4.50491418838501,0.07217842045692126,2442,2
OADMET-0005228,Cc1nc(-c2ccc(NC(=O)N3CC(c4ccccc4)C4CCCC43)cc2)cc(=O)[nH]1,4.89,4.487609577178955,0.08037060600889014,711,0
OADMET-0005227,COC1(c2ccccc2)CN(C(=O)Cc2cnc3c(C)cccn23)C1,4.63,4.939331722259522,0.08523085375582232,2441,1
OADMET-0005226,Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21,4.2,4.799838829040527,0.06716725398212967,673,4
OADMET-0005225,COC(CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C1CCOC1,4.62,4.461038589477539,0.10905106798579818,540,0
OADMET-0005224,Cc1ccc(-c2cc(C(=O)N3CC(C)OC(c4ccsc4)C3)[nH]n2)cc1,4.91,4.690828323364258,0.11932521651190535,210,4
OADMET-0005223,Cn1cccc1C1CCCCN1C(=O)c1cc(-c2ccccc2)no1,5.2,5.1624274253845215,0.06509890144246029,40,1
OADMET-0005222,CCOC1CC(CC(=O)N2CCCCC2Cc2ccc(O)cc2)C1,5.48,5.022535419464111,0.04620248261120046,2440,0
OADMET-0005221,N#Cc1ccc(S(=O)(=O)N2CCCC(c3nnc4ccccn34)C2)cc1C(F)(F)F,5.04,5.271117305755615,0.11946825057791027,2439,0
OADMET-0005220,COc1cc(Cl)ccc1CC1NC(=O)C(C2CC(C)(C)C2)NC1=O,5.16,5.065355110168457,0.09608996245744572,2438,1
OADMET-0005219,Cc1ccc(-c2nc(C(C)Oc3ccc(Br)cc3Cl)no2)cn1,4.16,4.575282573699951,0.12798702155542763,701,2
OADMET-0005218,COc1c(F)cccc1N(C)S(=O)(=O)c1ccc(F)c2ncccc12,5.57,5.033651638031006,0.13729019339736792,2437,2
OADMET-0005217,O=C(NCC(O)c1ccc(Cl)c(F)c1)C1CC(c2c(F)cccc2F)=NO1,4.47,4.605618858337403,0.11294801106486249,2436,3
OADMET-0005216,COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1ccc(C)cc1,4.14,4.431403732299804,0.060686250803473,168,1
OADMET-0005215,COc1cccc(Cc2noc(Cc3cnn(-c4ccccc4)n3)n2)n1,4.65,4.83828296661377,0.06037331123997997,682,3
OADMET-0005214,CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cnc2snc(C)c2c1,5.12,5.140287303924561,0.14042208943989004,720,0
OADMET-0005213,CC(C)[C@H](C(=O)Nc1ccncc1F)N1Cc2ccccc2C1=O,5.15,4.436154747009278,0.16741525111894792,2435,4
OADMET-0005212,Cc1nc(-c2ccc(CCNC(=O)c3cccn(C)c3=O)s2)cs1,4.87,3.7961602210998535,0.06768523474309425,2434,0
OADMET-0005211,CC(C)(CNC(=O)c1cc(Cl)ccc1F)c1coc(-c2ccccc2)n1,4.46,5.236007785797119,0.07543854901959675,2433,1
OADMET-0005210,Cc1cc(S(=O)(=O)NC(=O)C(C)Oc2ccccn2)cc(C)c1C,4.52,4.934204864501953,0.035855433454162665,2432,2
OADMET-0005209,Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccnc1,4.57,5.387543392181397,0.14477471909482356,277,2
OADMET-0005208,O=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1cccnc1,4.93,4.696801948547363,0.11702266706985996,14,1
OADMET-0005207,Cn1cc([C@@H]2C[C@H]2NC(=O)CCc2cccc3ccccc23)cn1,4.3,4.922639656066894,0.09986727789942584,2431,3
OADMET-0005206,CC1=C(C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1,5.13,5.2043764114379885,0.11020289781786534,2430,4
OADMET-0005205,CCC1CN(C(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)CC1N1CCOCC1,4.34,3.9750959396362306,0.0695562402299017,2429,4
OADMET-0005204,Cn1ncc(S(=O)(=O)Nc2cccc(Sc3ccccc3)c2)n1,4.61,4.917092800140381,0.06466424278123158,2428,1
OADMET-0005203,O=C(Nc1c[nH]nc1-c1nccs1)[C@H]1C[C@](O)(c2cccc(Cl)c2)C1,4.57,3.49820556640625,0.24234703240897523,2427,2
OADMET-0005202,CCc1nc2c(C(=O)N3CCOc4c(C)cc(C)cc43)ccnc2[nH]1,4.47,4.584752464294434,0.2190823294827374,2426,3
OADMET-0005201,Cn1cc(-c2nc3cc(F)ccc3n2C)c(C2CCC2)n1,4.31,4.787232875823975,0.05209714354752246,2425,4
OADMET-0005200,CC(C)Cc1ncc(C(=O)N2CCC(=O)N(C)c3ccccc32)s1,5.33,5.056936931610108,0.10753540315685547,41,4
OADMET-0005199,Cc1ccc(C(=O)NCc2cc(-c3ccccc3Cl)on2)cc1[N+](=O)[O-],4.58,4.715291690826416,0.08358487214003371,719,2
OADMET-0005198,OC(c1ccccc1)C1CCCN1Cc1coc(-c2ccccc2C(F)(F)F)n1,4.8,5.482968044281006,0.1515361910175206,2424,0
OADMET-0005197,CCc1ccc(OCC(=O)NS(=O)(=O)c2csc(-c3ccccc3)n2)c(OC)c1,4.44,4.813971710205078,0.05750779261512293,2423,1
OADMET-0005196,CCCc1c(C(=O)OCc2nnc3n2CCCCC3)nnn1-c1cccc(Cl)c1,5.07,5.152806282043457,0.06694200889174616,2422,2
OADMET-0005195,Cc1cccc(CN(C)C(=O)CCn2cc(C#N)c(=O)[nH]c2=O)c1C,4.26,3.9282450675964355,0.16050023982757639,2421,3
OADMET-0005194,CC1CCCCC1Nc1nnc(COCc2ccccc2)o1,4.92,4.961439514160157,0.11765239074068692,2420,4
OADMET-0005193,CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)NC(=O)C1CCC1,4.81,4.712232971191407,0.06633054075653606,2419,1
OADMET-0005192,CC1(C)CCCC(C)(CNc2ncc(S(C)(=N)=O)cn2)C1,4.39,5.511763572692871,0.14769091581408458,2418,2
OADMET-0005191,O=C(N1CCC(Cn2cncn2)CC1)C1(c2ccccc2F)CCCC1,5.21,5.088793659210205,0.11991954798151178,718,3
OADMET-0005190,CC(c1ccccc1C(F)(F)F)n1cc(S(N)(=O)=O)nn1,5.57,4.908671283721924,0.09071861573873749,2417,3
OADMET-0005189,CCONC(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1,4.37,5.257272529602051,0.10733200717656427,2416,1
OADMET-0005188,O=C(CO)N1CCN(c2nc3ccccc3nc2N2CCCCC2)CC1,4.78,4.0423986434936525,0.09710577232114465,2415,2
OADMET-0005187,CC(N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccnc1,5.2,4.99283800125122,0.12415128505109131,509,2
OADMET-0005186,COc1ccccc1-c1cn(Cc2nc3c(o2)CCCC3)nn1,4.4,4.965848731994629,0.05285175460218855,59,0
OADMET-0005185,FC(F)(F)c1ccccc1-c1cn(CCc2ccccn2)nn1,4.5,4.839660358428955,0.12559310746744132,2414,3
OADMET-0005184,c1ccc(Oc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1,4.82,4.815726375579834,0.1637041370880112,2413,4
OADMET-0005183,Cc1sc(-c2ccc3c(c2)OCO3)nc1-c1cn(CC2CCCN2)nn1,4.46,3.5730880737304687,0.1470460145198626,2412,0
OADMET-0005182,COC(=O)c1ccc(Cl)cc1-c1cn([C@H]2CC[C@H]2F)nn1,4.87,5.032743740081787,0.08474811374002263,2411,1
OADMET-0005181,COc1ccc(CS(=O)(=O)CC(=O)N2CCCC2(C)C)c(C)n1,5.33,5.524204063415527,0.07296727104302848,2410,2
OADMET-0005180,CC(C1Cc2ccccc2O1)N(C)C(=O)c1ccc(F)c(S(N)(=O)=O)c1,4.86,5.0423839569091795,0.11241082300206125,2409,3
OADMET-0005179,N#Cc1cc(C(F)(F)F)cc(N2CCCN(C3CC3)CC2)n1,5.21,4.917625522613525,0.05742817794346266,2408,4
OADMET-0005178,CCC(NC(=O)C(C)c1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1,5.0,4.900876235961914,0.12249583234131066,2407,0
OADMET-0005177,O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1SC(F)F,5.21,5.218383884429931,0.09000746370967816,2406,1
OADMET-0005176,COCC(C)(C)CN(Cc1ccn(C)n1)c1nc(C)c(C#N)s1,4.86,5.076679134368897,0.13030754714891904,2405,2
OADMET-0005175,CC(C(=O)NCc1ccc2ccoc2c1)c1ccc(Br)cc1,4.2,5.03357629776001,0.1585931995375108,2404,3
OADMET-0005174,Cc1ccccc1C(C)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,4.62,4.688487339019775,0.11232562635901636,2403,4
OADMET-0005173,CN(CCNC(=O)c1cnn(C)c1-c1ccccc1)C(=O)c1cnn(C)c1-c1ccccc1,4.82,4.912810802459717,0.04850401256086707,2402,0
OADMET-0005172,CSc1ccc(CN2C(=O)[C@@H]3CCCN3S2(=O)=O)cc1Cl,5.2,4.7429403305053714,0.0707347649380797,2401,1
OADMET-0005171,O=C(CSc1nncn1-c1cccc(Cl)c1)NCCOc1ccccc1,4.72,4.701864337921142,0.07985942106345581,2400,2
OADMET-0005170,COc1cc(C)ccc1NC(=O)C1CC2(C)CCCN2S1(=O)=O,5.14,4.748703670501709,0.1519194980374678,2399,3
OADMET-0005169,CCc1cccc(CC)c1NC(=O)C(C)n1cc(CN2CCCC3(CC3)S2(=O)=O)nn1,4.87,5.181951999664307,0.09537137438825516,2398,4
OADMET-0005168,CN1CC(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)Cc2ccccc21,4.95,4.443694591522217,0.09595909542998754,2397,0
OADMET-0005167,Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(C)n1,5.28,4.019982957839966,0.07614075964012638,515,1
OADMET-0005166,CN(C)c1ccc(-c2cn(Cc3ccccc3C#N)nn2)cc1,5.37,4.896969413757324,0.09357785469816972,2396,1
OADMET-0005165,C[C@@H](CNC(=O)CCc1cncc2ccccc12)Oc1ccc(Cl)cc1,5.25,4.6838020324707035,0.05851344551890131,2395,0
OADMET-0005164,CC(C)(CNC(=O)CCCOc1cccc(Cl)c1Cl)c1cccnc1,4.84,5.211295413970947,0.12476352674970863,2394,4
OADMET-0005163,Cc1[nH]c2ncnc(NC(=O)C(CCS(C)(=O)=O)c3ccccc3)c2c1C,4.54,2.378523921966553,0.15582312541885268,2393,3
OADMET-0005162,CC1CCN(C(=O)NCC2CCN(c3ccccc3Cl)C2)CC1,4.9,4.742935276031494,0.08832617774849366,317,0
OADMET-0005161,CC(Cn1cc(COc2ncccn2)nn1)C1CCCCC1,5.07,5.162160491943359,0.16924341841399143,2392,3
OADMET-0005160,CC(Oc1cccc(Br)c1)c1nnc(-c2cnn(C)c2)o1,4.49,4.570097160339356,0.07564460197769082,2391,4
OADMET-0005159,Cn1nccc1N1CCCC(NC(=O)NC2CC(OC(C)(C)C)C2)C1=O,4.4,4.851608753204346,0.1072940014852479,2390,0
OADMET-0005158,Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N(C)C)cc2)n1,4.61,4.464209365844726,0.06583500849273788,2389,1
OADMET-0005157,COC(=O)c1ccccc1CNC(=O)c1nn[nH]c1C1CC1,4.8,3.842263174057007,0.08718711281524484,7,3
OADMET-0005156,Cn1cc(CNCCc2c(C(F)(F)F)[nH]c3ccccc23)cc1C#N,4.31,4.6943892478942875,0.06434378567717762,2388,2
OADMET-0005155,C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccc(F)c3occc23)N1C,4.83,4.618732261657715,0.23976136614320678,164,0
OADMET-0005154,Cn1cccc1C1CCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1,4.89,4.859401798248291,0.08468841636083407,40,1
OADMET-0005153,c1ccc(COC2(c3nc(Cc4cnc(C5CC5)o4)no3)CCOCC2)cc1,4.53,4.487818431854248,0.12059785671709726,717,3
OADMET-0005152,O=C(c1ncc2ccccn12)N1CCCC(n2ccc(C(F)(F)F)n2)C1,5.06,4.551855564117432,0.0882192155388389,64,1
OADMET-0005151,O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(-n2cccn2)cc1,4.83,4.366340255737304,0.12458076648932397,247,3
OADMET-0005150,COc1c(Cl)cccc1C(=O)NCCc1cnn(-c2ccccc2)n1,5.02,4.614608669281006,0.12785761654779496,316,3
OADMET-0005149,CC(c1cccc(C#N)c1)N1CCN(C(=O)NC2CCCCC2)CC1,4.64,4.348810863494873,0.15504502910688708,2387,3
OADMET-0005148,Cc1ccccc1CC(CO)CNC(CC(C)C)c1ccccn1,4.92,4.82314281463623,0.1463970542313391,2386,4
OADMET-0005147,Cc1occ(-c2ccccc2)c1C(=O)NC[C@]1(CO)COC[C@@H](C)N1C,4.62,4.6826458930969235,0.12627557826839522,164,0
OADMET-0005146,O=C(Cc1c[nH]c2ccc(F)cc12)NCC1NCCc2sccc21,4.45,3.7963088035583494,0.12769237249838458,2385,0
OADMET-0005145,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccccc2-n2ccc(C3CC3)n2)N1C,4.99,4.4871907234191895,0.18711297984868813,164,0
OADMET-0005144,CCC1C(=O)N(CC)CCN1S(=O)(=O)c1c(F)cc(OC)cc1F,4.6,5.4313301086425785,0.10441011396418585,2384,1
OADMET-0005143,O=C(c1ccccc1Br)N1CC(c2cn(-c3ccccc3)nn2)C1,4.63,5.233257675170899,0.13023477738412104,2383,2
OADMET-0005142,CCC(C)(C)NC(C)C(=O)Nc1ccc(-n2cc(C#N)cn2)cc1,4.49,4.143244075775146,0.19548326302736133,2382,2
OADMET-0005141,CCOC(=O)N1CSCC1C(=O)NC1CC=C(c2ccc(F)cc2)CC1,4.8,4.2212684631347654,0.11485929553658318,609,3
OADMET-0005140,Cc1cccc(CC(NC(=O)c2nn[nH]c2C2CC2)C2CC2)c1,4.87,5.743368530273438,0.11041918155960598,716,1
OADMET-0005139,CC1CCCC1CC(=O)NCCC(O)(c1ncco1)C(F)(F)F,5.12,4.634189510345459,0.0809879393853941,2381,4
OADMET-0005138,C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2cnn3c2CCCC3)N1C,4.84,4.337169647216797,0.26485675762739286,715,0
OADMET-0005137,CCC(C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C,5.44,5.31320858001709,0.06415749837510243,2380,0
OADMET-0005136,O=C(Cc1cnn2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1,5.05,4.3915189743042,0.05203384101981093,64,1
OADMET-0005135,O=c1n(CC2OCCO2)c2cccnc2n1-c1ccc(Cl)cc1,4.34,4.418982315063476,0.08434906711412979,2379,1
OADMET-0005134,O=C(Cn1nc2n(c1=O)CCCC2)Nc1nnc(Cc2ccccc2)s1,4.42,4.7780438423156735,0.05942082299767881,2378,2
OADMET-0005133,COc1ccccc1C(C)(C)n1cc(C(C)(C)NS(C)(=O)=O)nn1,5.03,5.274088191986084,0.11807233936908693,138,3
OADMET-0005132,CCCCC(C)N(CCCC)C(=O)c1ccn2ccnc2n1,5.33,5.0669779777526855,0.22813613846774602,2377,3
OADMET-0005131,COC(=O)c1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)cc1,4.46,4.529320144653321,0.07743263563311212,2376,4
OADMET-0005130,O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cc(F)cc(F)c2)C1,5.1,5.142919254302979,0.15884108324113733,714,2
OADMET-0005129,O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)Nc1ccc(F)cc1F,5.01,4.355931377410888,0.050165878784987385,2375,0
OADMET-0005128,CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H](C)Oc1ccc2ccccc2c1,5.46,4.5361328125,0.12337396512740599,302,0
OADMET-0005127,CC1(C)CCC(NC(=O)CCc2cncs2)C(c2ccccc2)C1,5.25,5.361724948883056,0.14944007301364928,713,4
OADMET-0005126,CN(Cc1cc(F)cc(F)c1)C(=O)CCCc1ccc(-c2noc(=O)[nH]2)cc1,4.15,4.353176498413086,0.13164221869192766,2374,1
OADMET-0005125,CC(C)(C(=O)NCCN(C(=O)CC1CCC2CC12)C1CC1)S(C)(=O)=O,4.67,4.5002048969268795,0.2920451713795857,2373,2
OADMET-0005124,Cn1ncc(C(=O)NC2CCS(=N)(=O)c3ccc(F)cc32)c1Cc1ccccc1,4.5,4.625461101531982,0.06071774149885678,30,1
OADMET-0005123,O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2cc[nH]n2)s1,4.6,4.300037002563476,0.11291462999081293,712,4
OADMET-0005122,Cc1cc(C2CCCN2C(=O)Cc2nc(-c3ccco3)oc2C)no1,4.52,5.154183292388916,0.07212587961617314,141,2
OADMET-0005121,CCC(C)n1ncc(NC(=O)N2CCOCC2c2ccccc2)c1C,4.94,5.3188157081604,0.057764146039371016,2372,1
OADMET-0005120,Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4nc(N(C)C)oc4c3)c2)cc1,4.19,4.320879364013672,0.0943006946742117,2371,2
OADMET-0005119,NC(=O)c1ccc(C(=O)N2CC(c3ccccc3)C3CCCC32)s1,4.97,5.119207286834717,0.12274820956511333,711,0
OADMET-0005118,CCc1nnc(CN2C[C@H](C)CC[C@H]2c2cccc(C)c2)o1,4.36,4.876908969879151,0.21565679396851833,2370,3
OADMET-0005117,O=C(NC(CO)C1CCC1)c1nnc2c(F)cccc2c1O,4.46,4.552912902832031,0.0998236797394621,2369,1
OADMET-0005116,O=C(CC1CCCC1)N1CCC(Nc2nnc(-c3ccccc3)o2)C1,5.3,4.908915042877197,0.13076624941339,2368,3
OADMET-0005115,CCSc1cccc(Cn2nnnc2N(C)CC2COCCO2)c1,5.12,4.757251739501953,0.07998861248032975,2367,4
OADMET-0005114,c1ccc(Nc2noc(-c3ccnc(C4CCCC4)n3)n2)cc1,4.01,4.787107372283936,0.05573998715342064,2366,0
OADMET-0005113,O=S(=O)(Nc1cnc(C2CC2)nc1)c1cccc2c1COC2,4.23,4.759591007232666,0.14999058163650625,299,2
OADMET-0005112,CCc1cc(NC(=O)c2cnn(C)c2C(F)(F)F)ccc1F,4.26,4.566483879089356,0.05930894245448572,2365,1
OADMET-0005111,CCN(CC(=O)Nc1ccccc1OC)CC1CCC2(COC2)O1,5.19,4.63676872253418,0.12239420136056393,2364,2
OADMET-0005110,CCCC1(CCC)CCCN1C(=O)CCc1cnccn1,4.93,5.498276901245117,0.12214421958567415,2363,3
OADMET-0005109,CCC(CC)CN(CC)C(=O)c1cn(C(F)(F)CO)nn1,5.3,5.051787948608398,0.0991922734324185,2362,4
OADMET-0005108,N#Cc1ccccc1OCc1cn(CCc2ccccc2)nn1,5.1,4.9101568222045895,0.052506638648042406,2361,0
OADMET-0005107,C=C(C)C1OCCC1CNC(=O)C1CCCCN1C(=O)c1cccs1,5.03,4.575266170501709,0.15169318159200235,710,3
OADMET-0005106,CN1CCCCC(N(C)C(=O)Cc2ccc3c(c2)OCO3)C1=O,4.73,4.457680511474609,0.07460002469915399,553,0
OADMET-0005105,COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc(C)c(C)n1)C2,5.15,5.139319133758545,0.13214042598855902,2360,1
OADMET-0005104,O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1O2)c1cn(-c2ccccc2)nn1,5.26,5.263738059997559,0.16433340933741153,2359,2
OADMET-0005103,Cc1ccc(Cn2nnc(C3(C(F)(F)F)CCCN3)n2)cc1C,5.06,4.8480428695678714,0.09928684784372982,2358,3
OADMET-0005102,CC1(NC(=O)c2cccc(C3(C)NC(=O)NC3=O)c2)CC=CCC1,5.09,4.969546890258789,0.12492894992712979,315,1
OADMET-0005101,N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc2ccccc12,4.57,4.827366161346435,0.11465164879964188,2357,4
OADMET-0005100,Cc1cc2ccccc2n1CC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1,4.44,4.959164142608643,0.15580969276305917,380,3
OADMET-0005099,Cc1cc(O)n2ncc(C(=O)NC(C)CCc3ccccc3F)c2n1,4.84,5.111119937896729,0.10539190197019634,709,1
OADMET-0005098,Cc1cc(=O)c(C(=O)NC2c3ccccc3CCC2C(C)C)c[nH]1,5.09,5.570451164245606,0.14450330237299397,163,1
OADMET-0005097,Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1(C)CC=CCC1,4.73,4.5702112197875975,0.13810820515702504,605,1
OADMET-0005096,O=C(NCCc1ccc(C(F)(F)F)cn1)c1noc2c1CCCC2,5.23,4.779877758026123,0.07259176170052965,2356,0
OADMET-0005095,CCc1cccc2ccc(C(=O)NCC34CCCC(C3)C(=O)N4)nc12,5.47,5.263323402404785,0.0814927845260205,2355,1
OADMET-0005094,COc1ccc(C2(NC(=O)C3Cc4ccccc43)CC2)cc1,5.24,5.577635097503662,0.12322162848400611,2354,2
OADMET-0005093,COc1cccc2c1CCCCN2C(=O)c1cc2ncccc2o1,5.31,4.848876571655273,0.12008000633964251,2353,3
OADMET-0005092,Cn1nccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1,4.73,4.121845722198486,0.13319366572306643,314,4
OADMET-0005091,O=C(c1sccc1C1CC1)N1CCC(C(=O)N2CCCCC2)CC1,5.31,4.9833954811096195,0.03948418571100373,2352,4
OADMET-0005090,COc1cc(OC)nc(C(=O)N2CCCCc3cccnc32)n1,5.44,5.001772785186768,0.09827676952701658,708,2
OADMET-0005089,CC(C)(NC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1nccs1,5.06,5.181821823120117,0.040069810446237135,2351,0
OADMET-0005088,CC(=O)N1CCCN(C(=O)NCc2cnccc2C(C)(C)C)CC1,4.57,4.981645774841309,0.12342067009653007,62,4
OADMET-0005087,Cc1nc(-c2ncccn2)sc1C(=O)N1CCCCCO1,5.0,4.880549526214599,0.15570648124502803,2350,1
OADMET-0005086,O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc(-c2ccccc2)n(-c2ccccn2)n1,3.99,3.5543734550476076,0.052520204702618124,2349,2
OADMET-0005085,COCC(Oc1cc(F)cc(F)c1)C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1,5.25,4.831642818450928,0.11558540498916599,2348,0
OADMET-0005084,CS(=O)(=O)Nc1cncc(C(=O)NCCOc2ccccc2-c2ccccc2)c1,4.58,4.451870346069336,0.09261288263481103,2347,4
OADMET-0005083,O=C(CN1CCC(F)(F)C(CO)C1)Nc1ccc2c(c1)CCC2,4.27,4.977481460571289,0.06724409182346254,2346,4
OADMET-0005082,CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1,5.32,4.918709659576416,0.07812240597350416,2345,0
OADMET-0005081,Cc1nccc(N2CCN(C(=O)c3cc4cccnc4s3)CC2)n1,4.91,2.351524543762207,0.01929656116170998,154,3
OADMET-0005080,O=C1Nc2ccccc2CCC1NC(=O)N1Cc2cc(F)c(F)cc2C1,4.43,4.574110698699951,0.11456436130293016,2344,1
OADMET-0005079,CC1(C)CCCC(CNC(=O)c2ccccc2-n2cccn2)O1,4.94,4.915375232696533,0.14431373994123192,313,3
OADMET-0005078,Cn1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c2cc(F)ccc21,5.24,4.879291152954101,0.12705713874974744,163,1
OADMET-0005077,O=C(NC1CC(F)(F)C1)c1cnc(Cc2ccccc2F)s1,5.07,4.817151069641113,0.1008767479574381,41,4
OADMET-0005076,CC(C(=O)NC(Cc1csc2ccccc12)C(=O)O)c1ccccc1,4.35,4.32221212387085,0.10843667976011466,2343,2
OADMET-0005075,O=C(NC(c1cccc(Cl)c1)C1CCCCC1)c1ccc(=O)[nH]n1,5.18,4.7251002311706545,0.13836016272475282,2342,3
OADMET-0005074,CC1Cc2ccccc2N1CCNC(=O)c1cc(C(F)(F)F)c[nH]c1=O,5.08,4.811904621124268,0.09949231471551818,312,4
OADMET-0005073,Cc1cc(C)n(C(C)C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)n1,4.85,5.141034889221191,0.0975465699902735,162,4
OADMET-0005072,Cc1ccccc1C(NC(=O)c1nccnc1C)C(C)(C)C,5.06,5.6166918754577635,0.1117990037388765,2341,4
OADMET-0005071,Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1,4.41,4.518438243865967,0.09643001506738817,635,4
OADMET-0005070,COC(=O)c1cc2c(n1C)CCN(C(=O)c1cccc3[nH]c(=O)n(CC(C)(C)C)c13)C2,5.3,4.802210903167724,0.050053478414536695,2340,0
OADMET-0005069,COCC1(C)CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1,5.02,4.789247322082519,0.0758769976237331,2339,1
OADMET-0005068,Cc1cc(C)cc(N(CCC#N)C(=O)c2cn3ncccc3n2)c1,5.43,5.3322296142578125,0.03904022115236899,2338,2
OADMET-0005067,CC(C)CN(Cc1cccc(F)c1)C(=O)CCc1cncnc1,4.73,5.104747104644775,0.14800051066642744,2337,3
OADMET-0005066,O=C(Nc1cccc2[nH]ccc12)C1CCCN1C(=O)Cc1ccccc1,4.72,4.422328186035156,0.08020528873995926,282,4
OADMET-0005065,Cc1[nH]cnc1C(=O)NC(c1c[nH]c2cccc(F)c12)C(F)(F)F,5.19,4.678502750396729,0.055018976425865916,2336,4
OADMET-0005064,CN1CCc2ccc(NC(=O)Cc3cccc(F)c3F)cc2C1=O,4.99,5.0253674507141115,0.14396617726095723,263,4
OADMET-0005063,Cc1cc2ccccc2n1CC(=O)N1CCNC(=O)C1c1ccccc1,4.33,4.605626964569092,0.1171313128491797,311,0
OADMET-0005062,COc1ccc(F)cc1CC(=O)NC(C)C1(N2CCOCC2)CCCC1,4.99,5.064508247375488,0.09007665625487894,91,2
OADMET-0005061,Cc1nnsc1C(=O)NC1CCCC1c1ccccc1C(F)(F)F,5.39,5.0724945068359375,0.13899253827129454,707,3
OADMET-0005060,Cn1nc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1C1CC1,5.25,5.269554233551025,0.05909396912398818,706,4
OADMET-0005059,CN(C)c1cccc(CNC(=O)c2cc3ccccc3c(=O)o2)n1,4.92,4.864695072174072,0.041474815824399304,310,4
OADMET-0005058,CN(C)c1nccc(CNC(=O)c2cccc3ccccc23)n1,4.96,4.819240379333496,0.07680806429259458,310,4
OADMET-0005057,NC(=O)COc1cccc(C(=O)Nc2cccc3cccnc23)c1,4.26,4.3542791366577145,0.07632593822144881,360,2
OADMET-0005056,C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1,4.83,4.265298461914062,0.02784832605204956,2335,0
OADMET-0005055,Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC(C)c2cccc(O)c21,4.83,5.016041946411133,0.22742188088532353,492,4
OADMET-0005054,Cc1nc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(-c2ccccc2)o1,4.79,4.960000610351562,0.06940805369725349,2334,1
OADMET-0005053,CC(C)(C)C1CN(C(=O)c2ccc(C(N)=O)nc2)c2ccccc21,4.95,5.407415390014648,0.05426116721738425,2333,2
OADMET-0005052,Cc1nc(C)c(C(=O)NC(C)(c2ccc(Br)cc2)C(C)C)o1,4.82,4.945222949981689,0.21865980461169993,2332,3
OADMET-0005051,Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC(C2CCC2)C1,4.84,5.507908344268799,0.09182867330889413,2331,4
OADMET-0005050,CCc1cccc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)c1,5.22,5.561882591247558,0.09925845233336238,2330,0
OADMET-0005049,Cc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cc1Cl,4.21,4.548034286499023,0.06540504797556196,705,0
OADMET-0005048,Cc1ccc(-c2nnc(SCCN3CCC(F)(F)CC3)o2)cc1,5.05,3.638304615020752,0.14020973912168255,2329,1
OADMET-0005047,CNC(=O)c1ccc(OC)c(NC(=O)C2Cc3cc(Cl)ccc3O2)c1,4.88,4.4578328132629395,0.10807114209444808,704,2
OADMET-0005046,CC1=C(C)CC(C(=O)NS(=O)(=O)c2cncc(Cl)c2)CC1,5.1,4.395603179931641,0.11362635909663127,2328,2
OADMET-0005045,NC(=O)c1ccccc1NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1,5.05,4.5076957702636715,0.10010847929749281,2327,3
OADMET-0005044,COCC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(OC)c3)ccc21,4.84,4.6971128463745115,0.1580356212321319,2326,3
OADMET-0005043,Cn1cc(-c2ccccc2CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1,4.94,4.38064546585083,0.07989364095339803,41,4
OADMET-0005042,O=C(Nc1cnn(Cc2ccncc2)c1)C1(c2ccccc2)CCCN1,4.69,4.470197486877441,0.10240034709150696,703,1
OADMET-0005041,CC(C)c1cc(C(=O)NCc2cccc(N3CCOCC3)n2)on1,4.63,4.489607048034668,0.19066233765188506,702,1
OADMET-0005040,Cc1n[nH]c(C(C)C)c1C(=O)NC1CCC(Cc2ccccc2)C1,4.68,4.5452244758605955,0.11917240686896861,2325,0
OADMET-0005039,COc1cc2c(=O)n(CC(=O)Nc3ccccc3Cl)cnc2cc1F,4.57,3.22204532623291,0.01452788596029882,2324,0
OADMET-0005038,CC(C(=O)NC(N)=O)N1CCCC(Nc2ccccc2)C1,4.86,3.850956583023071,0.16403455320935853,550,3
OADMET-0005037,CCOc1cc(C)nc(N2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)n1,4.09,4.972895240783691,0.0635145070480867,92,0
OADMET-0005036,CC(C)(C)OC(=O)NC1(C(=O)NC2CCCSC2)CC1(F)F,4.93,5.172458171844482,0.12624910808727854,2323,4
OADMET-0005035,CN(C)c1ccc(S(=O)(=O)N2CCCC2C(F)(F)F)cn1,4.54,5.47280330657959,0.12497125565933923,2322,4
OADMET-0005034,CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[C@H](F)C3)CCC2)C1,4.88,5.573111915588379,0.16350076904945837,2321,0
OADMET-0005033,COc1cc(C)nc(N2CCCC(Nc3ccccc3)C2)n1,4.83,5.259469699859619,0.09129476234981718,92,0
OADMET-0005032,Cc1nc(C2CCCN2C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)no1,4.82,5.475441646575928,0.06857682244931587,2320,1
OADMET-0005031,COCCc1nc(C2(Nc3ccc(Cl)cc3)CCC2)no1,4.53,4.862498950958252,0.06717775522407482,2319,2
OADMET-0005030,CC(C)(NC(=O)CC1CCC(F)(F)CC1)c1nc2ccccc2s1,5.07,4.938929271697998,0.0936772576157056,516,1
OADMET-0005029,CC1(C)CCCC(O)(CNC(=O)C2(S(C)(=O)=O)CCCC2)C1,4.73,4.274869918823242,0.16574178045946397,2318,3
OADMET-0005028,O=S(=O)(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2c1CCCC2,5.3,5.056749629974365,0.07049988941184872,2317,4
OADMET-0005027,O=S(=O)(Nc1cn(CC(F)(F)F)cn1)c1cccc2c1OCCC2,5.69,5.316539764404297,0.12810268047162712,2316,0
OADMET-0005026,COc1cccc(C2=CCN(C(=O)c3noc4c3CCCCC4)C2)c1,5.0,5.265280246734619,0.1168049764009445,2315,1
OADMET-0005025,CC(NC(=O)Nc1ccccc1)C(=O)NC1CN(C)Cc2ccccc21,4.71,4.083050060272217,0.09064080624576644,2314,2
OADMET-0005024,COc1cccc(C(=O)NCC(=O)NC2CC(C)(C)Oc3ccccc32)c1,5.02,4.627104568481445,0.16049157650891455,74,3
OADMET-0005023,Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cc1Cl,5.23,4.423534965515136,0.11533130042040719,6,4
OADMET-0005022,CC1CCc2c(C(=O)NS(=O)(=O)CC(F)(F)F)csc2C1,4.74,4.604031658172607,0.07262759151599094,2313,3
OADMET-0005021,Cc1sc(=O)n(CC(=O)N(c2ccccn2)C2CCCC2)c1C,5.0,5.108449840545655,0.04685996296977509,2312,4
OADMET-0005020,O=C(C1CCC2(CCC2)CC1)N1CCC(S(=O)(=O)c2ccccc2)CC1,5.24,5.059646415710449,0.13392697413590446,2311,0
OADMET-0005019,CCC1(CC)CC(=O)N(CC(=O)N2CCCCCC2)C(=O)C1,5.38,4.947844123840332,0.07077124042205009,78,1
OADMET-0005018,CC(=O)NC(C)c1nc(C(C)Oc2ccc(Br)cc2Cl)no1,4.7,4.420527362823487,0.13941911092065742,701,2
OADMET-0005017,CCOCC1(c2nc(C(Oc3ccc(Br)cc3)C(C)C)no2)CC1,5.14,5.454696941375732,0.0821519046382889,2310,1
OADMET-0005016,CCC1(C(=O)NCc2ccc3occc3c2)CCN(C(=O)c2ccccc2)CC1,5.13,4.634147834777832,0.11609461238295608,172,0
OADMET-0005015,COC(=O)c1cc(C)c2c(c1)CCCN2C(=O)c1cc(OC)no1,4.8,4.6739678382873535,0.06693865408008923,2309,2
OADMET-0005014,COc1ncc(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1,4.66,4.780115699768066,0.13363968403982984,2308,3
OADMET-0005013,Cc1nc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)sc1C,4.7,4.8096236228942875,0.09817179552853057,700,0
OADMET-0005012,Cc1ccc2c(c1)C(=O)N(CC(=O)NC1(C)CC=CCC1)C2=O,5.33,5.060874938964844,0.11084488700671007,2307,4
OADMET-0005011,COCc1ccc(S(=O)(=O)Nc2cnc(OC)c(Br)c2)cc1,4.51,4.3874814987182615,0.1399402385272125,2306,0
OADMET-0005010,O=C(CCN1CCC(NC(=O)C2CC2)CC1)Nc1cccc(Cl)c1,4.61,3.360599184036255,0.11578134840957825,79,1
OADMET-0005009,Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(NC(C)C)nc1,5.09,5.003096580505371,0.029826266426563948,699,3
OADMET-0005008,Cc1csc(C(C)N2CCN(CC(O)c3ccc(F)cc3Cl)CC2)n1,4.57,4.111800479888916,0.12599988995177233,2305,1
OADMET-0005007,Cc1[nH]c2c(C(=O)N3CCC(NC(=O)C4CC4)CC3)cccc2c1C,4.82,4.277235794067383,0.07990666806759902,2304,2
OADMET-0005006,COCc1cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1OC,5.05,5.173471546173095,0.13485787348307188,2303,3
OADMET-0005005,O=C1CC(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c2ccc(F)cc2N1,5.0,4.895176601409912,0.1358584225248756,2302,2
OADMET-0005004,Cc1nn(C)c(S(=O)(=O)Nc2cc3n(n2)CCC3)c1C(F)F,4.35,4.457182884216309,0.15478823341378933,604,2
OADMET-0005003,O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc2n(n1)CCO2,4.81,5.156981658935547,0.0892320468310953,698,4
OADMET-0005002,COc1ccc(CCn2nnnc2N2CCCC2)cc1F,4.87,4.701967716217041,0.14380834923910865,2301,1
OADMET-0005001,CC1(C)CCCC1C(=O)NS(=O)(=O)Cc1ccc(Br)c(F)c1,4.63,4.693076419830322,0.055223733808897134,2300,0
OADMET-0005000,CN1CCC(NC(=O)COc2ccccc2)C1c1ccc(F)c(F)c1,4.57,4.9935791969299315,0.08735249718799838,697,4
OADMET-0004999,Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2C2CCC2)c1,4.99,4.38449535369873,0.09205657566718142,2299,0
OADMET-0004998,COC(=O)c1c(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C)nn1C,5.08,4.97688570022583,0.0695603362269147,2298,1
OADMET-0004997,Cc1cccc(C2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)C2)c1,5.02,5.11270580291748,0.041996538850474184,80,2
OADMET-0004996,CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnn(C)c3)s2)CC1,5.03,4.917969131469727,0.14324265357557842,2297,2
OADMET-0004995,CCc1nocc1CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3,5.34,5.021638870239258,0.1477068135409828,2296,3
OADMET-0004994,O=C(Nc1cc(Cl)ccc1OCC1CCC1)C1CC12CCS(=O)(=O)CC2,5.16,4.889266490936279,0.09507945886300646,589,4
OADMET-0004993,COc1ccc(C(C)(C)c2noc(-c3cc(C)[nH]n3)n2)cc1OC,4.65,4.677272796630859,0.0862498288777304,2295,4
OADMET-0004992,O=C(NC1CC2CN(c3ccccn3)CCN2C1=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1,4.78,4.119950437545777,0.12378677145583843,2294,0
OADMET-0004991,O=S1(=O)C[C@H]2CC[C@H](C2)N1Cc1cn(-c2ccccc2)nn1,5.41,5.138801574707031,0.11159324574316076,696,0
OADMET-0004990,c1cnc(C(CC2CCCCC2)n2cc(C3CCC3)nn2)nc1,5.51,5.520384025573731,0.1310672660705754,2293,1
OADMET-0004989,Cc1c(S(=O)(=O)Nc2cc(C)n(C3CCCCC3)n2)cnn1C,5.56,4.6697643280029295,0.0914620984719112,642,2
OADMET-0004988,O=c1c2cccn2ccn1Cc1cn(-c2ccccc2)nn1,4.87,4.625982284545898,0.051806742431009606,696,0
OADMET-0004987,Cc1c(NC(=O)c2cc(F)cc3cccnc23)c(=O)n(-c2ccccc2)n1C,5.23,4.829099941253662,0.0876715910026436,666,2
OADMET-0004986,O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1C1(C(F)(F)F)N=N1,4.87,4.7713518142700195,0.12512571856512447,2292,2
OADMET-0004985,COc1cccc(NC(=O)N(C)Cc2nccn2Cc2ccccc2)c1,4.78,4.893515396118164,0.08680030819035049,2291,3
OADMET-0004984,O=C1NCCc2ccc(S(=O)(=O)Nc3cccc4cc[nH]c34)cc21,5.33,4.422486019134522,0.10187927577191459,303,2
OADMET-0004983,CSCc1cccnc1C(=O)Nc1cccc(C(F)F)c1Cl,4.65,4.815786075592041,0.12343031264108172,2290,4
OADMET-0004982,CSc1nnnn1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1,4.47,4.931807136535644,0.05736809511990075,2289,4
OADMET-0004981,COCCNC(=O)CN(C)C(=O)c1ccccc1Oc1ccccc1C(C)C,5.53,4.795956707000732,0.11645709079893737,2288,1
OADMET-0004980,O=C(c1ccc(Cc2ccccc2)cn1)N1CCCC2(CCOCC2)C1,5.35,4.717852687835693,0.10031274547401557,587,3
OADMET-0004979,O=C(C1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1,4.2,4.794602012634277,0.08959519078215668,2287,2
OADMET-0004978,Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(F)c(C(N)=O)c1,5.05,4.39716329574585,0.047015033231389995,29,0
OADMET-0004977,COC1CN(S(=O)(=O)N2CCCC2c2cc(F)ccc2F)C1,5.33,5.322564315795899,0.10122803646304965,2286,3
OADMET-0004976,O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)cc1,4.56,4.316653633117676,0.044388972424865766,156,1
OADMET-0004975,CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCOCC3)C2)cc1C#N,4.6,3.6234403610229493,0.11551995746545238,309,0
OADMET-0004974,O=C(NCc1cc2ccccc2[nH]1)NCc1cccc(F)c1F,4.98,5.0942182540893555,0.10476222278520178,2285,4
OADMET-0004973,CCc1nnc2ccc(NC3CCc4cc(Cl)ccc43)nn12,5.21,5.119798564910889,0.10448680634341234,2284,0
OADMET-0004972,Nc1ncc(C(=O)NC2CN(C(c3ccccc3)c3ccccc3)C2)o1,4.24,4.738096904754639,0.19466378116384955,2283,1
OADMET-0004971,Cn1nnc2cc(S(=O)(=O)NC3(C(F)(F)F)CCCC3)ccc21,4.6,4.751163005828857,0.137390550694693,695,3
OADMET-0004970,CC(C)CC(CNC(=O)C(C)N1CCSCC1)NC(=O)c1ccc([N+](=O)[O-])s1,5.22,4.837215518951416,0.07442211408322606,2282,2
OADMET-0004969,CCc1nc(C(C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n[nH]1,4.97,5.3961163520812985,0.06396125391005282,198,1
OADMET-0004968,Cc1c(C(=O)N(C)C(C)CS(C)(=O)=O)sc2cccc(F)c12,4.73,5.452851390838623,0.17055395666841425,2281,3
OADMET-0004967,Cn1ncc(C(=O)NC(CO)c2ccsc2)c1Cc1ccccc1,4.8,4.763180923461914,0.03639299020069941,30,1
OADMET-0004966,CCC(NC(=O)c1cnc(N)c(Cl)c1)c1cc(F)ccc1OC,5.15,5.065799236297607,0.11650778380150172,2280,4
OADMET-0004965,O=C1NCC2CCC1N2S(=O)(=O)c1ccccc1OC(F)(F)F,4.93,5.044639301300049,0.15761419265926382,2279,3
OADMET-0004964,COC(CSc1nc2ccccc2c(=O)n1C)c1ccc(Cl)cc1,5.21,5.399457359313965,0.14409916352715513,2278,4
OADMET-0004963,O=S(=O)(NCCCC(F)(F)F)c1nnc(-c2ccccc2)s1,4.78,4.634618091583252,0.0940878130440923,2277,0
OADMET-0004962,Cc1ccc2c(C(=O)NC3COC4CC3C4)cc(-c3cnn(C)c3)nc2c1C,4.27,4.882533740997315,0.1206211935660313,2276,3
OADMET-0004961,O=C(NCc1ccnc(-n2cncn2)c1)N[C@@H]1CCCc2ccccc21,4.67,4.7525256156921385,0.014855385572359128,2275,0
OADMET-0004960,Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCC(N)=O)c2ccccc12,5.39,5.1660808563232425,0.08825488531447523,2274,1
OADMET-0004959,CC(CNC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CC2)c1nncn1C,4.68,5.046553897857666,0.032512259621519726,2273,2
OADMET-0004958,FC(F)(F)Cn1ccc(Cc2nc(-c3ccsc3Cl)no2)n1,4.97,4.43242244720459,0.09491423573150554,2272,3
OADMET-0004957,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(O)ccc12,4.95,5.162525939941406,0.17025757381412404,152,3
OADMET-0004956,Cc1cc(S(N)(=O)=O)oc1C(=O)NC(C)c1cc(Cl)cc2c1OCC2,5.42,5.240622806549072,0.1511483104998703,2271,4
OADMET-0004955,O=C(CN1CCc2ccc(O)cc2CC1)NC(c1ccccc1)c1nccs1,4.57,4.3853412628173825,0.048418607095601,694,1
OADMET-0004954,CC1=CCN(C(=O)NC(c2ccc(F)cc2F)c2nccn2C)CC1,5.03,4.960024833679199,0.08963345039992604,2270,0
OADMET-0004953,COc1ccccc1Oc1cccc(OC)c1NC(=O)c1ccnc(C(N)=O)c1,4.6,4.504572105407715,0.12243055876170725,2269,1
OADMET-0004952,O=S(=O)(NC12CCC(F)(CC1)C2)c1cnnn1-c1ccccc1,5.03,5.502218914031983,0.13522322266274858,2268,2
OADMET-0004951,Cc1ccc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)N(C)CC(N)=O)c3)c2c1,4.56,4.70225944519043,0.05370431544110675,693,2
OADMET-0004950,COC(=O)c1c(CNS(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)nn2c1CCCC2,5.33,5.437347507476806,0.11485980472685912,90,1
OADMET-0004949,CCC(C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1)c1c(C)noc1C,4.9,4.926342868804932,0.02094965498240696,251,2
OADMET-0004948,C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1,4.54,4.469526481628418,0.15483091580212124,2267,3
OADMET-0004947,CC(C)(C)c1ocnc1CN1CCCCC1C1CCCCC1O,4.89,5.7062828063964846,0.17939463447169085,2266,4
OADMET-0004946,COCCC1(C)CN(C(=O)c2ncsc2-c2ccccc2)C1,4.56,4.891106033325196,0.11008315170899353,2265,0
OADMET-0004945,O=C1C[C@H](c2ccccc2Cl)NC(=O)N1CC12CCC(CC1)O2,5.51,4.771201133728027,0.08458094703799539,2264,1
OADMET-0004944,COc1ccc(-c2nc(C)c(C(C)NC(=O)NCc3c[nH]nc3C)s2)cc1,4.37,4.397022914886475,0.13043680307919667,2263,2
OADMET-0004943,Cc1cc(C)n(-c2ccc(-c3nc(C)nn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,5.2,4.9060381889343265,0.1370942751168045,2262,3
OADMET-0004942,NC(=O)c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)ccc1F,5.06,4.826531600952149,0.12492050149897728,161,2
OADMET-0004941,CC(C)Oc1ccc(C(=O)NC(C)(C2CC2)C(F)(F)F)cn1,5.24,5.005521583557129,0.17611924633249107,692,2
OADMET-0004940,COc1ccc2c(c1)N(C(=O)C1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCCC2,5.67,4.501767635345459,0.1321096339885257,691,3
OADMET-0004939,COC(=O)c1ccc2c(c1)CCCCN2Cc1cnc2n1CCOC2,4.71,4.512279510498047,0.08667672699701388,2261,4
OADMET-0004938,CC(Oc1ccc(CO)cc1)c1cn(C(C)c2cccc(F)c2)nn1,5.01,4.377005767822266,0.04797973663710468,496,3
OADMET-0004937,O=C(CC1=CCCCC1)N(Cc1ccccc1F)C1CCS(=O)(=O)C1,4.9,5.070647239685059,0.12428065056718958,2260,0
OADMET-0004936,COC(=O)C1CN(C(=O)Nc2ccn3cnnc3c2)Cc2ccccc21,3.97,3.6434106826782227,0.13418080761445597,2259,1
OADMET-0004935,O=C(O)CC1(NCc2csc(-c3ccc(Cl)cc3)n2)CCOCC1,3.78,3.942084312438965,0.05095011122935991,2258,2
OADMET-0004934,CC(=O)NC(C)(C)c1noc(-c2cc(Cl)cc3c2OCC3)n1,4.83,4.9650650978088375,0.06483308912324848,690,4
OADMET-0004933,Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2c1,5.33,4.025125026702881,0.11778354237298815,263,4
OADMET-0004932,CCn1cc(C2CSCCN2C(=O)C2CCC(C(F)(F)F)CC2)cn1,5.49,4.257384777069092,0.15580771880372646,2257,3
OADMET-0004931,COC(=O)C1CN(S(=O)(=O)N2CCCC2C)Cc2ccccc21,5.36,5.410191249847412,0.0761482259116889,2256,4
OADMET-0004930,Cc1ccc2c(c1)CC(C(=O)Nc1ncc(Cl)cc1O)S2(=O)=O,4.1,4.631453895568848,0.1398293020966127,2255,2
OADMET-0004929,O=C(CN1C(=O)NC(c2cccs2)(C2CC2)C1=O)NC(Cc1ccccc1)C(=O)NC1CC1,4.81,5.179899120330811,0.07746939366754678,2254,1
OADMET-0004928,CP(C)(=O)C1CCN(c2ncc(C(F)(F)F)cc2S(=O)(=O)N2CCCC2C2CC2)CC1,5.55,5.791716575622559,0.1423291362325453,2253,1
OADMET-0004927,CC1(C)OCC(CNC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)O1,4.81,4.738924026489258,0.07979801961657387,2252,2
OADMET-0004926,O=C(c1onc2c1CCCC2)N1COCCC1c1ccccc1,5.54,5.172744083404541,0.052276001448311106,165,4
OADMET-0004925,COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1c(C)nc2ccccn12,5.2,4.729830646514893,0.08828856287353182,108,0
OADMET-0004924,CC(O)C(C)CNC(=O)CSc1nc2ccccc2nc1N1CCOCC1,4.3,4.634647846221924,0.07894539430562292,2251,3
OADMET-0004923,COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cc(=O)nc(SC)[nH]2)cc1,4.4,4.279361820220947,0.14545281250848102,517,4
OADMET-0004922,O=C(NCc1cccc2[nH]ccc12)Nc1cccc(N2CCCC2)c1,5.34,4.5286273002624515,0.04769976427514638,2250,4
OADMET-0004921,COc1cccc(NC(=O)N2CCC(C)C(n3ccnc3)C2)c1C,4.72,4.6756141662597654,0.10897286848841418,662,4
OADMET-0004920,Cc1cccc(-n2nc(Cc3ccccc3)nc2[C@H]2C[C@@H](O)C2)c1,4.68,4.6753264427185055,0.07095133663568338,2249,0
OADMET-0004919,CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)cn1,4.65,4.5330650329589846,0.06156500229056696,2248,1
OADMET-0004918,O=C(NC1CCN(c2cccc(Cl)c2)C1)c1cnn2cccnc12,4.53,4.7826171875,0.04254049171990019,100,2
OADMET-0004917,CC(CO)CNC(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-],4.65,4.989836120605469,0.1374984399547316,223,4
OADMET-0004916,O=C(NC1CCOc2ccc(F)cc21)c1ccc2c(c1)CC(c1ccccc1)OC2=O,4.79,4.891239070892334,0.11923277955761342,308,0
OADMET-0004915,COCC1(C(=O)N2CCN(c3ccccc3C#N)CC2)CCC1,5.19,5.44815845489502,0.1407163049507586,2247,2
OADMET-0004914,CCC(C)C(NC(=O)CSc1nnnn1-c1ccc(C)cc1)C(=O)OC,5.16,4.793403625488281,0.1854362008128234,2246,3
OADMET-0004913,CC1CCCCC1c1nc(-c2nnc[nH]2)nn1Cc1cc(F)cc(F)c1,5.23,5.404263114929199,0.06704329857439582,2245,4
OADMET-0004912,CCCc1c(-c2nc(CC3(C)CC3(F)F)no2)nnn1CC,5.47,3.9465144157409666,0.15767778338047786,2244,0
OADMET-0004911,CC(C)=CCCC(C)CC(=O)Nc1ccccc1C1CNC(=O)C1,5.16,5.073509407043457,0.10286887797930079,2243,1
OADMET-0004910,Cc1cccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2C)c1,5.09,4.815657234191894,0.07255654416773534,2242,2
OADMET-0004909,COc1ccccc1OCC(O)Cn1nnn(C2CCCC2)c1=O,5.15,4.6865311622619625,0.08351981600700112,260,4
OADMET-0004908,CO[C@@H](C)c1nc(-c2cccc(S(=O)(=O)NC(C)C)c2)no1,5.58,4.890758800506592,0.0786201688102408,184,1
OADMET-0004907,CC(=O)Nc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1,4.76,4.025120115280151,0.19557180971930577,2241,3
OADMET-0004906,Cc1cccnc1NCc1nc(C(F)(F)F)n2c1CCCC2,5.1,5.150221347808838,0.11568774259329165,689,0
OADMET-0004905,CC(C)(C)c1cn(CCS(=O)(=O)Nc2ccccc2)nn1,5.08,5.531268119812012,0.06266627756087582,2240,4
OADMET-0004904,O=C1Cc2cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2N1,4.86,4.94264965057373,0.04201398260396296,672,4
OADMET-0004903,Cc1cccnc1C(=O)NS(=O)(=O)c1cccc(Cl)c1Br,4.51,4.315382099151611,0.08729757416258523,2239,0
OADMET-0004902,CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NC(CO)c1ccc(F)cc1)C2,4.98,5.510708808898926,0.08535621528069043,688,1
OADMET-0004901,Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C,4.66,4.847344398498535,0.06947116432453752,687,1
OADMET-0004900,O=C(c1ccccc1-c1ncn[nH]1)N1CCCCC1CCc1ccccc1,4.73,5.3967061042785645,0.14124968782324612,173,4
OADMET-0004899,CCc1nnc(NC(=O)C(C)C(C)NC(=O)c2ccc3sccc3c2)s1,4.73,4.941946506500244,0.16540760672101792,2238,1
OADMET-0004898,COc1cccnc1CNc1cc(C)c(C#N)c2nc3ccccc3n12,4.56,5.491979789733887,0.12530691868914542,2237,2
OADMET-0004897,O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(Cc2nnnn2-c2ccccc2)CC1,5.12,4.794271469116211,0.11896457890287025,11,3
OADMET-0004896,COC(=O)c1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)c1,4.77,5.438956069946289,0.1119027449659501,2236,3
OADMET-0004895,CCn1ncc2c(C(=O)NCc3coc(-c4ccccc4)n3)cc(-c3ccccc3)nc21,4.63,5.401037788391113,0.059422967247489994,2235,4
OADMET-0004894,CCn1cc(NC(=O)Cc2ccc(C)c(Cl)c2)c(C(N)=O)n1,4.73,4.676223850250244,0.07748213624631207,2234,0
OADMET-0004893,Cc1ccc(Br)cc1NC(=O)c1cnn2c1CC(CNC(=O)OC(C)(C)C)CC2,5.17,5.4763716697692875,0.09609835459400136,2233,4
OADMET-0004892,Cc1ccc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc1-n1cnnn1,5.08,4.805273818969726,0.06762088912857718,2232,0
OADMET-0004891,Cc1ccc(S(=O)(=O)NCC(O)c2ccc(O)cc2)c(C)c1,4.7,4.695272159576416,0.05761803737814578,307,1
OADMET-0004890,O=C1CCC(c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)N1,4.66,5.278961181640625,0.10225026466317243,2231,1
OADMET-0004889,O=C(NCc1ccn(-c2ccccc2)n1)c1cc2cc(F)ccc2[nH]1,4.38,5.051157760620117,0.11760383031635416,31,3
OADMET-0004888,O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Sc1ccccc1,4.59,4.93774995803833,0.15280696431895158,249,1
OADMET-0004887,Cc1c(C(=O)N2C(C)CCS2(=O)=O)cnn1-c1ccccc1,5.02,5.042566299438477,0.11387325744531739,2230,3
OADMET-0004886,Cc1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)ccc1NC(=O)c1ccco1,4.25,3.8787449836730956,0.06883420025413432,2229,2
OADMET-0004885,CN(CCNc1ccccn1)C(=O)CCc1cccc(O)c1,4.72,4.631877040863037,0.10860356623772818,2228,3
OADMET-0004884,N#Cc1cc(F)ccc1N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,5.09,4.711970806121826,0.09267619973792174,686,0
OADMET-0004883,Cn1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1ccccc1Cl,4.76,4.909051513671875,0.09812803741332063,2227,4
OADMET-0004882,Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2ccc(C)n(C)c2=O)n1,4.49,4.937603759765625,0.05328089682125569,2226,0
OADMET-0004881,O=C1OCCN1c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F,4.42,4.785153007507324,0.1421553574674786,2225,1
OADMET-0004880,CC1(NC(=O)Nc2ccc3ccccc3n2)CCCOC1,4.93,4.821088886260986,0.06194898266406875,2224,2
OADMET-0004879,COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1csc(C)c1,4.86,4.369247531890869,0.11590601136056151,685,4
OADMET-0004878,O=S(=O)(c1ccccc1F)N1CC(Oc2ccccc2Cl)C1,4.72,5.1889725685119625,0.21298137931661948,349,0
OADMET-0004877,O=S(=O)(Nc1ccn(-c2ncccc2F)n1)c1ccc(OC(F)(F)F)cc1,4.11,4.675474357604981,0.12272836438502821,2223,3
OADMET-0004876,O=C1NCC2(CCCC2)C(=O)N1CCc1ccc(F)cc1F,4.8,4.919267749786377,0.06482953675209506,2222,4
OADMET-0004875,Cc1ccccc1Nc1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)cs1,4.65,4.7748823165893555,0.14223948395099567,2221,0
OADMET-0004874,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(-n2nccn2)nc1,4.89,5.201933193206787,0.14267109963899308,2220,1
OADMET-0004873,COC1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1,5.01,4.571918869018555,0.16637172779192116,306,3
OADMET-0004872,Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3CC34CC(O)C4)cc12,4.77,4.830105590820312,0.06245858589213791,2219,2
OADMET-0004871,O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)C1(c2ccccc2)CCC1,5.27,5.038632583618164,0.15857317814291835,2218,3
OADMET-0004870,CC1C(=O)N(CCc2cccc(C(F)(F)F)n2)C(=O)N1C1CCC1,4.79,5.11883659362793,0.07231667585044524,675,1
OADMET-0004869,C=CCNc1c(C(=O)N2CC3CC3C2)nnc2ccccc12,4.92,5.069512271881104,0.19278315321371414,2217,4
OADMET-0004868,CCc1ccccc1S(=O)(=O)NCC(=O)NC(C)c1ccccn1,4.71,4.924699115753174,0.15125226266357822,2216,0
OADMET-0004867,O=C(NCCc1ccc(O)c(CO)c1)Nc1ccc2c(c1)CCC2,4.05,4.799428272247314,0.09836735110290454,2215,1
OADMET-0004866,C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)nc1,4.51,4.75303544998169,0.13390539881133817,2214,2
OADMET-0004865,COC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C,5.37,4.918599319458008,0.14731431894873684,2213,3
OADMET-0004864,C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(C(F)(F)F)ns1,4.2,4.813187217712402,0.12698029046355871,2212,4
OADMET-0004863,Cc1ccc(CN(C(=O)c2ncc(F)cn2)C(C)C)cc1,4.9,4.896301364898681,0.2042186409645646,2211,0
OADMET-0004862,CN(Cc1ccccc1)C(=O)N1CCC(Oc2ncccc2F)CC1,4.54,4.79106388092041,0.1183652670269811,684,2
OADMET-0004861,CC(C)c1ccnc(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)n1,5.52,4.505852603912354,0.08097997180134102,92,0
OADMET-0004860,O=C(CCC(=O)N1CCC(O)CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl,4.22,4.689406776428223,0.10043462419862044,2210,1
OADMET-0004859,CC(=O)N1CCCC(c2nc(-c3cccc(N4CCCC4=O)c3)cs2)C1,5.29,5.22170934677124,0.15250885307062367,683,3
OADMET-0004858,CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1,5.27,5.046332931518554,0.05875560841657168,161,2
OADMET-0004857,Cc1cc(NC(=O)C(c2ccccc2)N(C)CCCn2ccnc2)no1,4.97,4.398054790496826,0.11499319174512282,47,0
OADMET-0004856,Cc1cn(C(C)C)nc1NC(=O)Cc1cn2c(n1)CCCC2,4.49,4.560779666900634,0.0783152535433502,644,0
OADMET-0004855,Cc1cn(C(C)C)nc1NC(=O)c1cccn1Cc1ccncc1,4.97,3.960257387161255,0.05710196442596758,2209,0
OADMET-0004854,O=C1CCc2cc(-c3cccc(O)c3F)cc3c2N1CCC3,4.05,5.186495399475097,0.10883007897622199,2208,4
OADMET-0004853,COc1ccc2c(c1)OCCN(C(=O)Nc1ncc(C)s1)C2,4.37,4.434906482696533,0.06787068643786487,275,0
OADMET-0004852,COc1ccc(OC)c(C2CCCN2C(=O)CCc2nc(-c3nnc[nH]3)no2)c1,5.61,4.01912202835083,0.16807559102276926,304,1
OADMET-0004851,COc1cc(F)c(NC(=O)N2CCOC(C)(c3ccccc3)C2)cc1F,4.86,4.382679462432861,0.11869852119699975,167,2
OADMET-0004850,COC1(CNC(C(=O)Nc2cc(C)on2)c2ccccc2)CCC(F)(F)CC1,5.0,5.100218486785889,0.1214201178057732,2207,3
OADMET-0004849,COC(=O)[C@@H](NC(=O)CN1CC(OC)C(C)(C)C1)C(C)C,4.3,4.9785843849182125,0.17536992656999822,2206,3
OADMET-0004848,CC(C)n1ncc2cc(S(=O)(=O)N3CCN(C)CC3c3ccccc3)ccc21,4.81,5.040808582305909,0.15018571013195675,63,3
OADMET-0004847,COc1cccc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)n1,4.48,5.074778270721436,0.11163158194294485,682,3
OADMET-0004846,CCC(CC)n1nccc1C(=O)NCC(C)(C)c1ccc(C)cn1,4.95,5.322779655456543,0.09390904349680462,555,1
OADMET-0004845,Cc1nc2cc(N(C)C(=O)c3cc(-c4ccc(Cl)cc4)nn3CC3CC3)ccc2[nH]1,5.4,4.693091011047363,0.04733216710228878,2205,4
OADMET-0004844,COc1cccc(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)c1,5.37,5.626811885833741,0.10299682336754265,2204,0
OADMET-0004843,O=C(c1cn2ccccc2n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,5.24,5.174348163604736,0.15969850445457642,160,3
OADMET-0004842,CC(Cn1ncc2ccccc21)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1,5.11,4.700410461425781,0.05549312479287845,64,1
OADMET-0004841,COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1F,5.41,4.8874938011169435,0.0537310877732038,2203,1
OADMET-0004840,OC1(c2nc(-c3cccc(OCc4cccnc4)c3)no2)CCCCC1,4.95,3.6550931453704836,0.10907745556005223,2202,2
OADMET-0004839,Nc1nccc(C2CCCN(C(=O)c3coc(C4CCCCC4)n3)C2)n1,5.06,4.704576206207276,0.1378058863605413,305,3
OADMET-0004838,CC(NC(=O)N1CCC(C2CCCC2)C1)c1nnc(C(F)(F)F)[nH]1,5.09,5.229752922058106,0.1398998096388323,665,3
OADMET-0004837,CN1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)C(c2ccccc2)C1,5.37,4.8282630920410154,0.12920582888827428,63,3
OADMET-0004836,Cc1sc2nc(-c3cccnc3)nc(N3CCC(S(N)(=O)=O)C3)c2c1C,4.11,4.088254356384278,0.1671979638944011,2201,3
OADMET-0004835,CC(Sc1ncc(-c2ccccc2)n1CC1CCCO1)c1ncccn1,5.28,5.0115608215332035,0.09448949289936569,2200,4
OADMET-0004834,CCC(CC)(CO)c1nc(-c2ccc(N(C)C)nc2)no1,4.64,4.581155586242676,0.06499681073805408,2199,0
OADMET-0004833,Cn1ncc2c1CC(C)(C)CN(C(=O)NCc1ccc(Br)s1)C2,5.21,4.934594631195068,0.0880816647483849,274,3
OADMET-0004832,COc1ccc(C(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)c2c[nH]c3ccccc23)cc1,4.81,5.090345954895019,0.11439222688871399,681,2
OADMET-0004831,FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nccs1,4.42,5.16896276473999,0.04641057766155955,2198,1
OADMET-0004830,CCOc1nc(C)ccc1C(=O)N1CCCC1c1csc(C)n1,4.67,5.159401893615723,0.030125189884144612,680,2
OADMET-0004829,CC1CN(c2nc3ccccc3nc2N2CCC(C(N)=O)C2)CC(C)O1,4.49,3.0244307994842528,0.107534597719312,2197,2
OADMET-0004828,COc1ccc(C)cc1S(=O)(=O)N1CCN(C2CCOCC2)C[C@H]1C,4.46,5.025446224212646,0.11927157641996473,679,4
OADMET-0004827,Cc1cccc(S(=O)(=O)NC(c2c(C)nn(C)c2C)C(F)(F)F)c1,4.97,5.03249979019165,0.08675465001377161,2196,2
OADMET-0004826,Cc1cc(C2CCCN2C(=O)CCc2nc(-c3ccco3)no2)no1,5.03,4.6726373672485355,0.0672139111071039,141,2
OADMET-0004825,Cc1ccc(-c2c[nH]cc2C(=O)NCC2(N3CCOCC3)CCCCC2)s1,5.3,4.594118213653564,0.11711289497580393,678,3
OADMET-0004824,Cn1cnnc1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1,4.13,4.976740074157715,0.07924746974038994,2195,4
OADMET-0004823,Cn1nc(C2CCCCC2)cc1NS(=O)(=O)CCc1ccccc1,4.24,4.998982334136963,0.11818961147193474,677,0
OADMET-0004822,CCc1nnc(N2CCC(C3(NC(=O)CNC(=O)OC)CC3)CC2)nc1CC,3.92,3.8802372455596923,0.1102311411767317,2194,0
OADMET-0004821,O=C1NC2(CCCCC2)C(=O)N1C1CCN(c2ccc(Cl)cc2Cl)C1,4.73,4.709548664093018,0.10436436651742477,2193,1
OADMET-0004820,CCCNS(=O)(=O)N1CCN(c2ccc(F)cc2OC)CC1,4.93,4.616166782379151,0.13104058314006162,2192,2
OADMET-0004819,COc1ccccc1N1CCC(NC(=O)NCc2ccc(C(N)=O)cc2)C1=O,4.63,4.133657169342041,0.18496877223101965,2191,3
OADMET-0004818,Cn1c(C(=O)N2CCCC(S(C)(=O)=O)C2)c(Cl)c2ccccc21,4.88,5.162141609191894,0.08231746182586233,2190,4
OADMET-0004817,CC1(C(=O)NCC2(CO)CC3(CCC3)C2)CC(c2ccccc2)=NO1,4.78,4.452499866485596,0.13695130862012875,2189,0
OADMET-0004816,Cc1cc(S(=O)(=O)NCC2CCOC3(CCC3)C2)c(F)cc1F,4.64,5.216757965087891,0.11389835992841685,2188,1
OADMET-0004815,O=C(NCc1cccc(O)c1)c1sc2ccccc2c1Cl,4.8,4.90889196395874,0.08367148267736738,33,4
OADMET-0004814,CC1NC(c2nc(C3(c4ccncc4)CCC3)no2)=NN(c2ccccc2)C1=O,4.83,4.49793701171875,0.03922984308165681,334,0
OADMET-0004813,COc1cccc(C2(NC(=O)NCc3c4c(nn3C)CCCC4)CCC2)c1,5.17,5.4256178855896,0.057990941032829764,2187,2
OADMET-0004812,CN(C)C(=O)c1cccc(NC(=O)CN2CC(O)Cc3ccccc32)c1,4.72,4.645716381072998,0.04578272314808439,2186,1
OADMET-0004811,COc1ccc(Cn2ccc(NC(=O)C3C4CCCC43)n2)cc1,4.76,4.832283210754395,0.0812256533035302,2185,2
OADMET-0004810,Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(n2ccnn2)CC1,4.49,4.546208286285401,0.08043766576577108,39,2
OADMET-0004809,CCn1ncc(C)c1NS(=O)(=O)CCc1cccc(F)c1,4.53,4.874296760559082,0.1117812130027746,676,4
OADMET-0004808,CC1CN(c2cccc(F)c2)CCN1C(=O)c1ccccc1-n1ccnn1,4.51,5.244600772857666,0.18773486331189196,2184,3
OADMET-0004807,Cc1cccc(N(C)S(=O)(=O)c2cnn(C3CCC3)c2)n1,4.59,5.037033367156982,0.07692757364620126,63,3
OADMET-0004806,COc1ccc(Cc2nc(-c3ccc(OC)nn3)no2)c(C)c1,4.11,4.321555805206299,0.057358170810698966,2183,1
OADMET-0004805,COCC1(O)CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)CC1,5.0,4.9561591148376465,0.2374418907852059,2182,3
OADMET-0004804,CCc1ccc(NC(=O)CN2CC(=O)N(C)c3ccccc3C2)cc1,4.67,4.6016847610473635,0.069567227840671,2181,4
OADMET-0004803,COc1ccc2oc(C)c(C(=O)NCC3(N(C)C)Cc4ccccc4C3)c2c1,5.2,4.945775985717773,0.1408632385245834,2180,0
OADMET-0004802,Cc1cnn(CCC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1,4.67,4.353151512145996,0.08088403889843253,104,1
OADMET-0004801,CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(C)C1c1nccn1C,4.99,5.2294166564941404,0.11140974599413908,2179,1
OADMET-0004800,CC(C)Cc1nc(C(=O)N2CC(O)CC2c2ccccc2)cs1,4.44,5.228123950958252,0.17035685345797671,2178,2
OADMET-0004799,O=C(c1ccnn1CC(F)F)N1CCCC1c1cccc(F)c1,5.38,5.525120449066162,0.07712508570278627,170,1
OADMET-0004798,COc1ccc(CCC(=O)N2CCCN(C(=O)c3coc(C4CC4)n3)CC2)cc1,4.63,5.004719543457031,0.09213551888646768,305,3
OADMET-0004797,CC(C)(C)c1nc(CCNC(=O)C(c2cccc(F)c2)N2CCOCC2)cs1,5.19,5.500802230834961,0.1337948402449561,2177,3
OADMET-0004796,Cc1nccc(N2CCN(c3cc(N4CCCC4CO)ncn3)CC2)n1,4.72,2.9587499141693114,0.04057793889026559,154,3
OADMET-0004795,Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)O)c2ccccc21,4.66,4.679055881500244,0.1088802399498338,2176,4
OADMET-0004794,Cc1noc(C)c1C(=O)N1CCCC1C(C#N)c1ccccc1,4.58,5.647214889526367,0.10841680540102072,639,0
OADMET-0004793,CCn1ncc(Cl)c1-c1nc(Cc2ccccc2OC)no1,4.66,4.991847038269043,0.08682738287372255,2175,0
OADMET-0004792,COCc1nocc1CN1CCC(=O)N(CC2CCCC2(F)F)C1=O,4.04,3.7607376098632814,0.1146097873659976,2174,1
OADMET-0004791,O=C(NCc1ccccc1C(F)(F)F)N1CCCN(C(=O)C2CC2)CC1,4.79,5.379891586303711,0.02332986932244881,62,4
OADMET-0004790,CCc1ccc(C2COCCN2C(=O)c2ccc(N3CCC(C)=N3)cc2)o1,5.31,4.661115932464599,0.044906338579218545,2173,2
OADMET-0004789,COc1ccccc1[C@H](O)CNC1CCc2cc(F)c(Cl)cc21,5.06,5.11486587524414,0.16648131335002936,2172,3
OADMET-0004788,CC(NC(=O)NCC1CCOC1(C)C)c1cc(Cl)ccc1Cl,5.12,5.337133598327637,0.1036969711426602,2171,4
OADMET-0004787,COc1cccc(C(C)C(=O)N2CCCC(c3cn(C)nn3)C2)c1,4.75,4.767322063446045,0.07061361236303323,2170,0
OADMET-0004786,Cc1cc(Cn2c(-c3ccccc3)nnc2N2C[C@H]3CCC[C@H]3C2)no1,5.01,5.254966068267822,0.06831936171126893,2169,1
OADMET-0004785,Cc1ccc(-c2nc(-c3cccnn3)n(CC(F)F)n2)cc1Br,4.37,5.035226345062256,0.12019599752346005,2168,2
OADMET-0004784,COC(=O)Cc1nn(C)c(C)c1-c1cccc(OC)c1OC,4.73,4.389130115509033,0.05217453054805257,2167,3
OADMET-0004783,Cc1ccc(S(=O)(=O)N(C)C(C)c2ccccn2)c(C)c1,4.91,5.4954455375671385,0.11299601625520672,2166,4
OADMET-0004782,CCCC(C)c1cc(NS(=O)(=O)c2cncc(C(=O)OC)c2)[nH]n1,4.22,4.1831060409545895,0.07686307911702427,252,2
OADMET-0004781,CC1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)C(=O)N1C1CCC1,4.7,4.280020904541016,0.11579064859479288,675,1
OADMET-0004780,CC(C)c1nc(C(=O)Nc2ccccc2C(=O)O)nn1-c1cccc(F)c1,5.58,3.9801560401916505,0.068032941395767,2165,0
OADMET-0004779,CC(Sc1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1,4.93,4.9158703804016115,0.07545310164190396,332,2
OADMET-0004778,CCCCO[C@H]1CC[C@H](NC(=O)c2ccn3c(C)cc(C)nc23)CC1,4.74,4.88748607635498,0.08784439907752842,2164,1
OADMET-0004777,CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2ccc3c(c2)CCO3)n1,4.93,5.770312309265137,0.1118013748755699,2163,2
OADMET-0004776,Cc1noc(C)c1C(C)c1nc(CCCOc2cccc3ccccc23)no1,4.98,5.036437034606934,0.021106424668719856,2162,0
OADMET-0004775,CCc1cc(C(=O)NCCc2c(C)[nH]c3c(Cl)ccc(Cl)c23)cc(=O)[nH]1,5.16,4.881831264495849,0.06313875611225671,2161,4
OADMET-0004774,CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cccc(F)c1,4.72,5.38671989440918,0.056526453807167726,2160,4
OADMET-0004773,O=C1COc2c(NCCCOc3ccc(Cl)cc3)cc(Cl)cc2N1,4.76,4.5466900825500485,0.11744994462072252,2159,0
OADMET-0004772,CC(C)n1ncc2cc(C(=O)N3CCOCc4ccccc43)cnc21,4.68,4.786976146697998,0.05356656879256698,2158,1
OADMET-0004771,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2Cl)CC1,4.63,3.937935733795166,0.06581129675518045,159,4
OADMET-0004770,N#Cc1cccc(-n2nc(CCCO)nc2-c2ccc(Cc3ccccc3)cc2)c1,4.15,4.375157451629638,0.09009555116617048,2157,2
OADMET-0004769,Cn1c(=O)oc2c(C(=O)N[C@H]3c4ccccc4CC[C@H]3O)cccc21,4.76,4.6535697937011715,0.14543443494344224,163,1
OADMET-0004768,CC1(C)CC(c2ccccc2)CN1C(=O)c1nnc(C2CC2)o1,4.58,5.122256088256836,0.15601577851944545,2156,3
OADMET-0004767,O=C(NC(c1ccccc1)c1ccc2[nH]cnc2c1)C1CCN(c2ccccc2F)C1,5.32,4.344592094421387,0.10148681100328576,97,0
OADMET-0004766,Cc1ccc(C(C)NC(=O)CN2CCOC3(CCOCC3)C2)cc1C,3.97,4.662813663482666,0.15172373289813532,2155,4
OADMET-0004765,Cc1cc(NC(c2ccccc2)c2nnc[nH]2)cc(C)c1Cl,4.85,5.240567684173584,0.07571446686623351,668,1
OADMET-0004764,CN(C)C(=O)c1cnc(NCCOC2CCCCCC2)c(Cl)c1,4.95,4.461149787902832,0.11487433239305124,2154,0
OADMET-0004763,CC(c1nc(Cc2cccnc2)no1)N1CCc2ccccc21,4.91,4.9347199440002445,0.10828752273397563,674,3
OADMET-0004762,O=C(NC1CC(F)(F)C1)NC1CCCOc2cc(Cl)ccc21,4.8,5.345533847808838,0.06903693615048102,60,4
OADMET-0004761,Cc1cc(C)cc(CNC(=O)NCC2CCCC(C)O2)c1,4.61,5.147864532470703,0.1726989353051156,2153,1
OADMET-0004760,Cn1c(=O)oc2cc(S(=O)(=O)Nc3cnc(C(C)(C)C)nc3)ccc21,5.27,4.809186553955078,0.136206638918403,673,4
OADMET-0004759,Cc1c[nH]c(=O)c(CNC(=O)NC(c2ccccc2)C2CCCC2)c1,4.96,4.812915992736817,0.10929176163858192,2152,2
OADMET-0004758,O=C(Nc1cnn2cccnc12)C(=O)N1CCCCC1c1ccc(Br)cc1,4.96,5.480715274810791,0.13253904483664686,2151,3
OADMET-0004757,CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1,4.55,5.627744483947754,0.12493637451230488,2150,4
OADMET-0004756,Cc1cnn(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1,4.5,5.734893417358398,0.0788160147991759,2149,0
OADMET-0004755,Cc1cc(Cl)c(NC(=O)N2CCCC(C3CCCCO3)C2)cc1Cl,5.18,4.982814979553223,0.12727409694589,287,4
OADMET-0004754,Cc1c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cccc1-c1ncco1,4.82,4.55120964050293,0.09283716556248925,672,4
OADMET-0004753,Brc1cccc2c1CCC2NCc1noc2c1COCC2,5.06,5.166705131530762,0.08481077678773764,319,4
OADMET-0004752,COc1ccccc1-c1nn(C)cc1C(=O)Nc1ncc(-c2ccccn2)s1,4.45,4.416588973999024,0.15388141690359308,149,1
OADMET-0004751,Cc1c(CNC(=O)c2cccc(-n3cnnn3)c2)oc2ccc(F)cc12,4.99,4.4891993522644045,0.030610142758666428,76,2
OADMET-0004750,CCc1cc(S(=O)(=O)N2CC(OCCO)C2)c(C)cc1OC,3.92,4.753526592254639,0.0695992499727415,671,0
OADMET-0004749,COCC(C)c1nc(C2(c3ccc(C)cc3)CCOCC2)no1,4.26,4.726105785369873,0.0857570159673067,328,2
OADMET-0004748,Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]1c1ccccc1,5.11,4.763074684143066,0.14774165830642003,670,3
OADMET-0004747,O=C(NCc1nccn1CC(F)(F)F)c1cccc2c1OCC2,4.69,5.0466485023498535,0.022477712182742013,158,4
OADMET-0004746,CCn1ccnc1-c1cn([C@@H]2c3cc(OC)ccc3CC[C@H]2O)nn1,5.04,4.990278053283691,0.1504264689253866,2148,1
OADMET-0004745,NC(=O)c1oc2ccccc2c1NC(=O)CCC=Cc1ccccc1,4.35,5.214958000183105,0.10795972547111035,2147,2
OADMET-0004744,Cc1ccc(Cc2noc(CC3CC(=O)Nc4ccccc43)n2)cc1C,4.4,4.674146842956543,0.10517879182785207,2146,3
OADMET-0004743,COc1ccc(OC)c(C2CCCN2C(=O)C(C)S(C)(=O)=O)c1,4.97,4.918836784362793,0.10236907631663907,304,1
OADMET-0004742,Cc1cnc(-c2cn(CC3COc4ccccc4O3)nn2)c(C)c1,4.98,4.683353519439697,0.06682519906016775,2145,4
OADMET-0004741,Fc1ccc(-c2cn(C[C@]34C[C@H]3CCC4(F)F)nn2)c(Cl)c1,4.94,4.618436622619629,0.11753737459458877,2144,0
OADMET-0004740,CCOCCC1(CN(Cc2cc[nH]n2)c2ncnc(C)c2F)CC1,4.81,4.1520469188690186,0.1898235830720139,2143,1
OADMET-0004739,O=S(=O)(Cc1cc(Cc2ccccc2)on1)c1ccccc1,4.77,5.139670276641846,0.1398852058446772,2142,2
OADMET-0004738,O=C(NCc1ccoc1)N1CCC(c2c[nH]c3ccccc23)CC1,4.31,4.061589241027832,0.10075874406899764,584,2
OADMET-0004737,CC(C)(C)n1cc(Cn2cc(Cc3ccccc3)nn2)cn1,4.78,4.720747566223144,0.10175265176416794,2141,3
OADMET-0004736,FC(F)(F)[C@@H]1C[C@H]1Cn1cc(-c2ccn(C3CCC3)n2)nn1,4.33,4.4175060272216795,0.07272212302801556,2140,3
OADMET-0004735,O=S1(=O)CCC(c2csc(Cc3cccc4ccccc34)n2)C1,4.25,5.286208248138427,0.10668703315767203,2139,0
OADMET-0004734,Cc1nnc(-c2ccccc2C(=O)N(C)C2CCc3ccccc3C2)o1,4.61,4.581559848785401,0.059347897827593095,669,0
OADMET-0004733,CC1(C)CCC(O)(CNC(c2ccccc2)c2nnc[nH]2)CC1,4.23,4.623908615112304,0.10838980839054412,668,1
OADMET-0004732,CC(C)c1cccc(Nc2nc(C3COCCO3)cs2)c1,4.95,5.797155284881592,0.07990121376952301,2138,0
OADMET-0004731,CN1CCc2cc(NC(=O)CC3CCc4ccccc43)ccc2C1=O,5.25,5.434955787658692,0.09820374536865198,667,4
OADMET-0004730,Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)C(=O)NCC4)c2)c1,5.33,4.84092903137207,0.0788911894487599,303,2
OADMET-0004729,CCC1CCC(CNC(=O)C2(Cc3cnn[nH]3)CCOCC2)CC1,3.95,4.019411039352417,0.19050355821132658,2137,4
OADMET-0004728,Cn1cc2c(n1)CCCC2C(=O)N1CCCC(c2nnc3n2CCCCC3)C1,4.34,4.307236194610596,0.083624834082116,2136,4
OADMET-0004727,Cc1csc(-c2cccc(S(=O)(=O)N3CCCC3CO)c2)n1,5.01,5.52677354812622,0.0712460036253794,436,2
OADMET-0004726,CS(=O)(=O)c1ccccc1N1CCCC1c1ccccn1,4.89,5.525337409973145,0.08366154359975182,2135,0
OADMET-0004725,CCC1CN(C(=O)NCc2noc3c2CCCC3)CC(CC)O1,4.38,4.913922691345215,0.1395370579968296,2134,1
OADMET-0004724,O=S1(=O)CCC(CNc2ccccc2OCC2CCCCC2)C1,4.43,5.644064044952392,0.07327061894879221,2133,2
OADMET-0004723,Fc1cc2cc[nH]c2c(F)c1-c1cnn(C2CCCCO2)c1,4.31,4.564692783355713,0.098538795850015,2132,3
OADMET-0004722,CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2nnc3n2CCOC3)c1,4.49,5.134560012817383,0.09865856819340132,2131,4
OADMET-0004721,CN(C(=O)CCn1ccc2cccnc21)c1cccc2cc[nH]c12,5.41,5.304610729217529,0.14909343810576198,2130,0
OADMET-0004720,O=C(NCCNC(=O)c1cc(F)cc2cccnc12)c1ccc(O)cc1,4.59,4.149021816253662,0.06743134415436272,666,2
OADMET-0004719,COc1cc(F)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1F,4.64,4.550507640838623,0.09885156618090016,273,2
OADMET-0004718,Cc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)oc1C,4.38,5.164745807647705,0.08772801732661091,2129,1
OADMET-0004717,CCC1CCCCC1OCC(=O)N(C)Cc1cnccn1,4.68,4.83686637878418,0.09309608730416559,2128,2
OADMET-0004716,O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1,4.29,3.582090950012207,0.09806576720157135,112,4
OADMET-0004715,CC(C)(C)N1CCC(NC[C@H](O)c2ccc(Cl)cc2)C1=O,5.04,4.942840957641602,0.20947207214567992,2127,3
OADMET-0004714,CC(C)(CNC(=O)NC1CCCNC1=O)c1ccccc1Br,4.41,5.196500968933106,0.05651519028702785,2126,4
OADMET-0004713,N#Cc1ccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1,3.82,4.9466962814331055,0.07635216330282342,2125,0
OADMET-0004712,COc1cccc(C(OC)C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c1,4.39,5.06177167892456,0.13582866134715998,302,0
OADMET-0004711,Cc1ccccc1C1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)C(C)CO1,4.9,5.126115894317627,0.08429438389064395,2124,1
OADMET-0004710,CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1,4.56,4.140866088867187,0.07272812916929004,11,3
OADMET-0004709,C[C@H](NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccnc1,4.48,3.9967605590820314,0.1460910307739321,2123,2
OADMET-0004708,CCOC1CC(O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C,4.97,4.767978668212891,0.11425685597238985,331,1
OADMET-0004707,CC(Cc1ccc2ccccc2n1)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1,4.93,5.799526786804199,0.1918731246020227,2122,3
OADMET-0004706,CC(NC(=O)[C@H]1C[C@@]1(C)c1ccccc1)c1nnc(C(F)(F)F)[nH]1,4.44,5.335908031463623,0.16214402663660857,665,3
OADMET-0004705,O=S1(=O)CCCC(Cn2cc(-c3ccc4c(c3)CCC4)nn2)C1,4.66,4.91394157409668,0.07195772732963689,2121,4
OADMET-0004704,CCC(=O)N(c1nnc(SCc2ccc(F)cc2)s1)C1CC1,4.75,5.895790767669678,0.08467702520591613,640,4
OADMET-0004703,CCCN(C(=O)Cc1ccc(F)c(Cl)c1)c1cccnc1,4.79,4.927264785766601,0.1194706180878734,2120,0
OADMET-0004702,Cc1nc(NCC2(C)CCCCC2O)cc(-c2ccccn2)n1,4.85,4.592541790008545,0.12859342790519787,2119,1
OADMET-0004701,CCOc1ccc(C2CCCN2C(=O)c2cccn2C)cc1,4.89,4.944259357452393,0.08808351338947848,2118,2
OADMET-0004700,Cc1ccccc1-n1c(C)nnc1SCCOc1ccc(C#N)cc1,5.36,4.6386292457580565,0.07596207841842331,2117,3
OADMET-0004699,CC(C)(C(=O)N1CCC(COc2ccccc2)C1)c1cccnc1,5.04,4.704005908966065,0.10665324584125357,398,3
OADMET-0004698,O=C(Nc1cc(-c2ccccc2F)on1)[C@H]1C[C@@H]1C1CCOCC1,4.23,4.308969402313233,0.10075557869969419,2116,2
OADMET-0004697,CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1,5.03,4.6847892761230465,0.12173388652852717,2115,1
OADMET-0004696,O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(F)c(Cl)c1,4.21,4.721990966796875,0.11970698640911781,664,3
OADMET-0004695,COc1cccc2sc(NC(=O)C3CCCOC3C)nc12,5.2,5.1252082824707035,0.14664206836951826,301,3
OADMET-0004694,CCc1ccnc(C(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)c1,4.76,4.696235942840576,0.14165548581849446,300,0
OADMET-0004693,CC1(C)CC(C(=O)N2CCCn3nc(-c4ccccc4)nc32)C1,4.66,5.683158874511719,0.10470960796576263,2114,0
OADMET-0004692,O=C(CCc1ccccn1)Nc1cnc2ccccc2c1,4.35,4.3508378028869625,0.06074537303677939,211,2
OADMET-0004691,c1ccc2oc(C3CCCCN3Cc3nnc4n3CCCCC4)nc2c1,4.13,5.129110050201416,0.07400606460051025,2113,0
OADMET-0004690,Cc1cc(F)ccc1-c1nnc([C@@H]2CCCO[C@H]2c2ccnn2C)o1,4.79,4.493268299102783,0.049669473883004994,2112,1
OADMET-0004689,C=C(C)C1OCCC1CNC(=O)N1CCCC1c1nc2cc(C)ccc2[nH]1,4.22,5.084523296356201,0.043552755030443605,155,2
OADMET-0004688,O=C1COc2cccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)c2N1,4.48,5.169057178497314,0.1028452231055976,299,2
OADMET-0004687,CCC(C)(C)NC(=O)c1ccc(NC(=O)CC2OC(=O)c3ccccc32)cc1,4.05,5.05781364440918,0.10001898544098534,2111,2
OADMET-0004686,CC(C)CC1C(=O)NCCN1S(=O)(=O)c1c(Cl)ccc(F)c1F,4.89,5.17795763015747,0.19337244758632133,2110,3
OADMET-0004685,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CC(=O)N(C(C)C)C1=O,4.63,5.176302051544189,0.0636507098793004,663,2
OADMET-0004684,N#CC1(C2CCCC2)CCN(C(=O)C2CCNc3ccccc3C2)CC1,5.0,4.42147274017334,0.07353558937135729,2109,4
OADMET-0004683,Cn1nnc2cc(C(=O)N3CCCC(n4ccc(C(F)(F)F)n4)C3)ccc21,5.31,4.191073226928711,0.06337775123086906,64,1
OADMET-0004682,Cc1cccc(CC(=O)NC2CCN(C3CCCCC3)C2=O)c1Cl,4.88,4.874888134002686,0.17756613483154457,99,3
OADMET-0004681,O=C1NCCCN(C(=O)c2cc[nH]c2C2CC2)C1Cc1ccccc1,4.84,4.905560111999511,0.06971394075745055,101,1
OADMET-0004680,CC(=O)N1c2ccccc2C[C@H]1c1nc(Cc2cc(C)on2)no1,5.15,4.643606662750244,0.05786787943631059,2108,0
OADMET-0004679,CCOC1CC(O)(CNc2nc(-c3cccnc3)nc3ccccc23)C1(C)C,5.23,4.757738208770752,0.11183257544380905,2107,1
OADMET-0004678,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,5.08,4.9752123832702635,0.05424439138215329,2106,2
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]21,3.93,3.646739673614502,0.34719075387163084,2105,3
OADMET-0004673,Cc1cc(=O)oc2cc(OCC3CCNCC3)ccc12,4.78,2.899518346786499,0.10780054843990025,2104,4
OADMET-0004662,Cc1cccc(C(NC(=O)N2CCNC(=O)C2C)c2cccc(C)c2)c1,4.63,4.98236665725708,0.0858794890126202,2103,4
OADMET-0004653,COC(=O)c1cc(NC(=O)N2CC(C(F)(F)F)OC(C)(C)C2)cc2[nH]ccc12,4.72,4.622527694702148,0.10358882095236129,2102,1
OADMET-0004642,Cc1cnn(C2CCN(C(=O)c3cc(-c4ccccc4)no3)C2)c1,4.65,4.246674919128418,0.07119560679509988,40,1
OADMET-0004629,CN1CCN(C(=O)C(Cc2ccccc2)NC(N)=O)Cc2ccccc21,4.41,5.033376884460449,0.09883758524319532,256,0
OADMET-0004628,CN1CCOC(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1,4.15,4.646714782714843,0.10551526350314153,276,1
OADMET-0004625,c1ccc(OC[C@@H]2CCCN2c2nnc(-c3ccon3)s2)cc1,4.72,5.090325927734375,0.04260030288539491,262,1
OADMET-0004617,C[C@@H](NC(=O)N1CCc2cn[nH]c2C1)c1ccccc1Cl,4.99,4.399041080474854,0.10742272657190984,570,1
OADMET-0004611,CCn1ncc2c1CCCC2NC(=O)c1cc(C(F)(F)F)n(C)n1,4.66,4.515767383575439,0.1482831365426178,656,3
OADMET-0004605,CC(COC1CCOC1)NC(=O)c1n[nH]c2ccc(Cl)cc12,4.95,4.502171802520752,0.10990687317693536,2101,2
OADMET-0004590,CC(C)CC(Cc1ccccc1)Nc1ccc(P(C)(C)=O)cn1,5.48,5.006455326080323,0.13857043632594804,2100,3
OADMET-0004588,COc1ccc(CNC(=O)N2CCC(C)C(n3ccnc3)C2)cc1F,4.85,4.051255226135254,0.12699897718915354,662,4
OADMET-0004581,O=S1(=O)CCCC(c2cn(-c3ccc(Cl)cc3O)nn2)C1,4.76,4.40787181854248,0.14289947426681926,138,3
OADMET-0004579,Cc1c(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n(C)c2ccccc12,4.65,3.663385772705078,0.021716618887902887,2099,4
OADMET-0004577,Cc1nc2ccnn2cc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1,4.8,3.4989601135253907,0.18305986780211192,2098,0
OADMET-0004575,FC(F)(F)Oc1ccccc1-c1noc(C2(c3ccccc3)CC2)n1,4.36,5.3919109344482425,0.05669372061651143,2097,1
OADMET-0004570,Cc1cc(C(F)F)n2ncc(C(=O)N3Cc4ccccc4[C@@H]3C)c2n1,5.04,5.951409435272216,0.07054581803186431,2096,2
OADMET-0004567,COC(=O)Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1,4.92,5.557632064819336,0.09018971301062657,265,0
OADMET-0004566,O=C(Cc1n[nH]c2ccccc12)N1CCc2cc(Cl)ccc21,4.71,5.117949485778809,0.06614141136628415,659,1
OADMET-0004560,Cc1cccc(C)c1CN(C)C(=O)NCc1ncnn1-c1ccccc1,5.02,4.883487606048584,0.04669245477395602,61,0
OADMET-0004551,CN1CCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c2ccccc21,4.43,4.441337776184082,0.12284190454743085,264,1
OADMET-0004547,NC(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1Cl,4.12,3.990660285949707,0.1775198121803315,2095,3
OADMET-0004514,COc1ccc(C2CCCN2C(=O)c2nccc3occc23)cc1F,5.26,5.02028169631958,0.08830966958155184,497,1
OADMET-0004510,Cn1cc(C2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)cn1,4.78,4.218558120727539,0.06440071894933797,386,0
OADMET-0004498,Cc1ccc2c(c1)CCC2NS(=O)(=O)c1cnn(Cc2ccccc2)c1,5.18,5.351295280456543,0.06496218630707239,2094,4
OADMET-0004490,O=C(NCc1c(F)cccc1Cl)N1CCN(c2nnc(C(F)(F)F)s2)CC1,5.01,4.353287410736084,0.11026802825849187,661,0
OADMET-0004489,CC(C)(Cc1ccccc1)C(NCCc1cnccn1)c1nnnn1-c1ccc2c(c1)OCO2,5.41,5.196066665649414,0.1510936397322626,2093,3
OADMET-0004478,Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cnc1N,5.41,3.790732002258301,0.15995833516718752,157,1
OADMET-0004472,O=C(NCCNC(=O)c1cccc(-c2cccs2)n1)NC1CCCCC1,4.86,4.771647167205811,0.11490485095689686,660,1
OADMET-0004458,CC(C)COc1ccccc1NC(=O)c1ccc(C(N)=O)s1,5.18,5.360722351074219,0.12985922355166102,2092,4
OADMET-0004452,CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)c2ccc(F)cc21,4.89,5.137994861602783,0.08087417724466911,98,1
OADMET-0004444,CC(C)(C)n1cc(C(=O)Nc2cccc3c2C(=O)NC3)nn1,4.36,4.407953357696533,0.15127893803364292,2091,0
OADMET-0004442,Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(-c2coc3ccccc23)n1,4.7,4.121515464782715,0.02186379771157629,531,3
OADMET-0004440,O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1,4.97,5.059941673278809,0.05732089820881788,156,1
OADMET-0004439,COc1cc2cc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)[nH]c2cc1OC,4.2,4.992554092407227,0.030759771358492075,2090,3
OADMET-0004428,Cc1sc(C(C)NC(=O)CC2(C(=O)[O-])CCC2)nc1-c1ccc(Cl)cc1,4.61,4.783883380889892,0.0808813543592894,410,0
OADMET-0004419,CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5[nH]ccc5c4)ccc1c23,4.55,5.204964637756348,0.05942188266161613,2089,0
OADMET-0004418,CC(=O)N1CCCN(c2ccc3ccc(Cl)c(C)c3n2)CC1,5.2,5.704320335388184,0.07509945586688939,638,1
OADMET-0004415,CCc1cc(NC(=O)N2CCN(CC(C)C)CC2)ccc1C,4.17,4.6201831817626955,0.08968271454931163,2088,1
OADMET-0004413,CC1Cc2ccccc2N1C(=O)C1Cc2cccnc2C1,4.66,5.252973747253418,0.09884372600735385,586,4
OADMET-0004402,Cn1nc(NC(=O)N2CCC(c3ccccc3)C2)c2ccccc21,4.66,5.140911006927491,0.07082116487340681,650,1
OADMET-0004396,Cc1ccc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c(C)c1,4.57,4.50615177154541,0.08191009990254108,2087,2
OADMET-0004394,CNC(=O)CNc1cccc(-c2cn(Cc3cc4ccc(F)cc4[nH]c3=O)nn2)c1,4.1,4.012038040161133,0.07544407622930902,519,2
OADMET-0004388,O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc2[nH]nnc2c1,4.24,3.244413423538208,0.12372213649850478,651,0
OADMET-0004379,C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1,4.78,4.312978935241699,0.13004694975050066,2086,3
OADMET-0004372,CC(=O)N(C)c1ccccc1NC(=O)c1cccc2cccnc12,4.82,5.339593982696533,0.09800051488438327,655,4
OADMET-0004349,Cc1sc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c(C(N)=O)c1C,4.1,5.031041431427002,0.04872251548338678,649,2
OADMET-0004348,N#CCc1ccc(NS(=O)(=O)c2cccc3ccncc23)cc1,4.55,5.185341548919678,0.10987953016683011,2085,4
OADMET-0004345,Cc1nc(-c2c(C)noc2C)sc1C(=O)Nc1cccc(-c2cn[nH]c2)c1,4.53,4.46208086013794,0.12628860710677303,2084,0
OADMET-0004332,N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1nnc(-c2ccncc2)[nH]1,5.42,4.3019078254699705,0.08398328743484901,2083,1
OADMET-0004327,Cc1sc2nc(C(C)Nc3ccc4c(c3)NC(=O)CC4)[nH]c(=O)c2c1C,4.89,5.391256427764892,0.07110887425193307,2082,2
OADMET-0004321,O=C(NCC1CCCC2(CCC2)O1)Nc1cc2ccccc2nn1,5.11,4.862494373321534,0.036562620096216865,521,4
OADMET-0004315,COc1ccc(C(=O)Nc2ccccc2Cl)cc1C1CC1,4.04,4.829936981201172,0.1396895184188733,23,3
OADMET-0004313,COc1ccc2oc(C(=O)Nc3cnccc3Oc3ccccc3)c(C)c2c1,4.81,4.544566249847412,0.05192266324733668,2081,3
OADMET-0004305,CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(NC(C)=O)c(F)c2)n1,5.19,3.833037567138672,0.021876734361548484,2080,4
OADMET-0004301,Cc1ccc2[nH]c(C(=O)Nc3cc(C(C)C)[nH]n3)c(C)c2c1,4.27,5.308690071105957,0.19371919543930743,2079,0
OADMET-0004297,O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cc(F)ccc2F)on1,5.04,4.48613862991333,0.08284896024360543,2078,1
OADMET-0004296,CC(CNc1nc(-c2ccncc2)nc2ccccc12)S(C)(=O)=O,4.71,3.83154559135437,0.13056690640848184,532,4
OADMET-0004294,CC1COC(c2cccc(Cl)c2)CN1C(=O)Cc1n[nH]c2ccccc12,5.48,5.344916534423828,0.06359150767812931,659,1
OADMET-0004285,O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CCN(c2ccccc2F)C1,4.66,4.268150997161865,0.054595043999237536,97,0
OADMET-0004281,CNC(=O)c1ccc(OC)c(NCc2cccc(OC)c2)c1,4.85,4.126140689849853,0.06276896749409494,658,0
OADMET-0004280,CCC(=O)N1CCCC(C(=O)Nc2nc(-c3ccccc3)co2)C1,5.0,4.614778995513916,0.09941375280713294,2077,2
OADMET-0004279,O=C(Nc1nc2c(s1)COCC2)N1CCc2cccc(Cl)c2C1,4.63,5.179191589355469,0.1002733839141881,2076,3
OADMET-0004273,COC(C)c1noc(CN2CCCc3ccc(Cl)c(C)c32)n1,4.63,5.398862743377686,0.07599223136041997,2075,4
OADMET-0004272,CCC(CC1CCCC1)c1nc(-c2ccncc2OC)no1,4.23,4.859706020355224,0.04931928743481697,2074,0
OADMET-0004270,Cc1ccc(-c2n[nH]c(NC(=O)CC3=CCCCC3)c2C)o1,5.08,5.138248348236084,0.05019043864219973,2073,1
OADMET-0004267,CC(C)Oc1ccccc1-c1nc(-c2cnccn2)no1,4.3,4.643782043457032,0.07472157595533084,2072,2
OADMET-0004263,CCc1cnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1,4.98,3.957491064071655,0.18803054554899382,312,4
OADMET-0004261,CC(C)n1ncc2c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccs3)nc21,5.0,4.83297872543335,0.16683873748707007,2071,3
OADMET-0004259,Cn1c(-c2ccc3ccccc3n2)nnc1N1CCOC2(CCCCCC2)C1,4.21,4.910997200012207,0.09805171985919206,657,2
OADMET-0004256,O=C(NCc1cc(F)c(Cl)cc1F)c1c[nH]c2ccccc2c1=O,5.3,4.415989875793457,0.08682748427338563,2070,4
OADMET-0004247,c1ccc(OC[C@@H]2CCCN2c2nccc3nccnc23)cc1,4.41,4.93276834487915,0.07378450439163756,262,1
OADMET-0004239,Cc1nc(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1,4.91,5.037964344024658,0.19045081541656267,2069,2
OADMET-0004238,Cc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3CC2CCCO2)s1,4.6,4.58446159362793,0.06227872356952681,2068,1
OADMET-0004237,CC(C)(C)n1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)nn1,4.4,5.079614543914795,0.08005831643277074,2067,1
OADMET-0004225,OC[C@@H](NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1,3.99,4.428046321868896,0.15343483295148636,2066,2
OADMET-0004220,NC(=O)CNC(=O)c1cccc(NC(=O)c2cc3c(Br)ccc(Cl)c3[nH]2)c1,4.36,4.580727863311767,0.14623437202643766,2065,3
OADMET-0004216,CNC(=O)c1ccsc1NC(=O)N1CCOC(c2ccccc2)C1,4.24,4.518072128295898,0.08646388569681183,2064,4
OADMET-0004214,CCn1ncc2c1CCCC2NC(=O)c1ccc(F)c2cccnc12,5.24,4.791995620727539,0.14174441099405832,656,3
OADMET-0004210,C=C[C@H](CO)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1,5.06,4.4309494972229,0.15152601680885328,2063,0
OADMET-0004207,Cn1cnc(-c2cccc(NC(=O)c3cccc4cccnc34)c2)n1,4.22,4.881626319885254,0.11712235533291689,655,4
OADMET-0004205,C[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CCN1,1.72,3.6771818161010743,0.10158945970922963,2062,1
OADMET-0004203,COc1cc(OC)nc(N2CCCC(c3nc4cc(C)ccc4[nH]3)C2)n1,5.07,5.059285068511963,0.05703589258866638,155,2
OADMET-0004193,Cc1cc(CC(C)Nc2ncc(F)c(-c3ccsc3)n2)n[nH]1,4.62,4.619337749481201,0.029456158060701072,2061,2
OADMET-0004187,CS(=O)(=O)CC(=O)N(CCc1ccccc1)Cc1ccccc1,4.73,4.709696674346924,0.16428773780973724,2060,3
OADMET-0004182,CN1CCOc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc21,4.9,5.066989231109619,0.08236852853594313,654,4
OADMET-0004180,CO[C@H]1C[C@H](CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1,4.85,5.626786422729492,0.15056781710997932,2059,4
OADMET-0004176,COc1ccc(-c2cc(C(=O)Nc3cn[nH]c3)c3ccccc3n2)cc1,5.07,4.663249683380127,0.0682072957201797,11,3
OADMET-0004172,CC(C)(CS(C)(=O)=O)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O,4.71,4.78456563949585,0.10698038271701027,2058,0
OADMET-0004170,NC(=O)CC1CCCCN1c1nc(-c2cc(F)cc(F)c2)ns1,5.47,4.584087371826172,0.06935740199129045,2057,1
OADMET-0004168,CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Cn3cncn3)c2)c1,4.79,5.117221450805664,0.04562188967328804,2056,2
OADMET-0004153,O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)NC1CC1,5.36,5.385548114776611,0.07966774644736135,500,0
OADMET-0004129,COc1ccc(NC(=O)c2cc[nH]n2)c(OCc2ccccc2)c1,4.51,3.7225775718688965,0.16910036463418385,23,3
OADMET-0004128,C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1,5.13,4.042687034606933,0.13551873754251842,653,3
OADMET-0004116,Cc1cc(C)n2ncc(-c3noc(C4(c5cccnc5)CC4)n3)c2n1,5.66,4.857658195495605,0.1275100503065251,2055,3
OADMET-0004106,Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1nccs1,4.73,4.654669857025146,0.06329907061546028,2054,4
OADMET-0004105,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccnc1,5.18,4.785424995422363,0.06273382925595263,156,1
OADMET-0004101,O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1ncoc1C1CC1,5.57,4.757637310028076,0.1002598289374243,2053,0
OADMET-0004094,Cn1nc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1C1CC1,4.41,4.542897891998291,0.025470093442262105,652,2
OADMET-0004092,O=C(Nc1ccc2[nH]nnc2c1)c1csc2ccccc12,4.9,3.7648266792297362,0.11535270972146523,651,0
OADMET-0004090,Cc1nc(N2CCc3ccc(F)cc32)c2cnn(C)c2n1,3.75,5.578879547119141,0.14517561222699046,2052,1
OADMET-0004088,Cn1c(C(=O)NC2(c3nnc[nH]3)CCC2)cc2cc(C(F)(F)F)ccc21,3.99,5.003496742248535,0.09113739151422054,2051,2
OADMET-0004080,NC(=O)CCc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1,4.66,4.482350063323975,0.13388490263862277,2050,3
OADMET-0004069,COc1ccc2[nH]nc(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)c2c1,4.26,4.488100814819336,0.08664269699391561,333,1
OADMET-0004067,C=CCOc1cccc2[nH]c(C(=O)NCc3ncn(C(C)C)n3)cc12,4.82,4.425697898864746,0.1260781765194682,2049,4
OADMET-0004065,CC1CCCc2ncc(C(=O)Nc3nn(C)c4ccccc34)n21,4.77,4.8605352401733395,0.1160721320467187,650,1
OADMET-0004064,Cc1ccc(C#N)c(N2CCCC(c3ccncc3)C2)n1,4.52,4.732916927337646,0.03747437532042936,2048,0
OADMET-0004060,c1n[nH]c([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)n1,4.92,4.490286159515381,0.12006077314074462,2047,2
OADMET-0004056,CCC(CC)n1nc(C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1,4.92,4.173764610290528,0.13493412699803684,264,1
OADMET-0004054,C#CCC(Cc1ccccc1)Nc1ccc2nccnc2n1,4.87,4.622837352752685,0.13324854384838902,2046,1
OADMET-0004053,Cc1cccc(NC(=O)N2CCCC(c3nc4cc(C)ccc4[nH]3)C2)c1,4.86,4.846376132965088,0.07283303555767365,155,2
OADMET-0004051,Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ncnn3-c3ccccc3)c12,4.6,5.023067855834961,0.0407671564347303,61,0
OADMET-0004047,c1ccc(-c2cc(CNc3ccccc3-n3cccn3)n[nH]2)cc1,5.05,5.046063804626465,0.17213147259754322,2045,3
OADMET-0004040,O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCC(O)(Cc2ccc(F)cc2)C1,5.28,4.572370529174805,0.1050223038655734,2044,2
OADMET-0004029,CC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1,4.45,4.5126951217651365,0.08294179144551599,649,2
OADMET-0004025,C1=C(c2c[nH]c3ncccc23)CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1,4.55,3.233302927017212,0.14722666085112257,648,3
OADMET-0004024,O=C(Nc1ccc2c(c1)CCO2)c1cccnc1OCc1ccccc1F,5.08,4.528693008422851,0.11840674882364695,2043,3
OADMET-0004021,Cc1ccc2sc(CNC(=O)c3csc(C(C)C)n3)nc2c1,5.2,5.463390445709228,0.08408449177624484,2042,4
OADMET-0004014,COc1ccc(OC(F)(F)F)c(C(=O)Nc2cc3c(cc2C)OCO3)c1,5.13,4.429633712768554,0.05556681349328211,647,1
OADMET-0004004,Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc12,5.15,4.719800662994385,0.10654759288818214,11,3
OADMET-0004003,O=S(=O)(CC1CCCO1)Nc1cc(C(F)(F)F)c2cn[nH]c2c1,5.12,4.9669452667236325,0.13382060166059265,646,0
OADMET-0003997,CCCn1cc(NC(=O)c2ccc3c(Br)cnn3c2)cn1,4.29,3.947639560699463,0.15216796282669268,2041,0
OADMET-0003994,O=C(Cc1ccc(F)cc1F)NCc1ccccc1-c1cccnc1,4.3,4.494981575012207,0.1037462241256944,181,0
OADMET-0003975,O=C(Nc1cccc(OCC(F)(F)F)c1)c1cnn2c1CCCC2,5.04,5.381771278381348,0.07179806015449948,2040,1
OADMET-0003971,Cc1cccc2oc(C(=O)NCc3ccn(C4CCCC4)n3)cc12,5.0,4.985103893280029,0.0732256988959468,271,4
OADMET-0003969,CCn1c(=O)c(N2CCN(c3cc(C)ccn3)CC2)nc2ccccc21,5.04,4.893262958526611,0.07819905793691691,645,4
OADMET-0003963,CCc1cc(Nc2nc(C)nc3c2cnn3C)ccc1C,5.17,5.319645690917969,0.13720253979634567,2039,2
OADMET-0003961,O=C(Cc1cn2c(n1)CCCC2)N1CCc2ccc(F)cc21,4.41,5.048028182983399,0.052724027875491825,644,0
OADMET-0003960,Cc1nccc(N2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)n1,4.97,2.658289575576782,0.07718574962128423,154,3
OADMET-0003956,NC(=O)c1n[nH]c2ccc(NC(=O)c3nccc4ccccc34)cc12,3.89,4.379778480529785,0.11403188080393403,526,4
OADMET-0003950,Cc1cc(N2CCCC(c3n[nH]c(-c4ccccc4)n3)C2)ncn1,5.05,4.116497039794922,0.17875561266404025,2038,3
OADMET-0003946,O=C(Nc1ccc2c[nH]nc2c1)c1csc(-c2ccccn2)n1,4.66,4.1122064113616945,0.09661230044585781,2037,4
OADMET-0003942,CN1CCOC(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)C1,5.44,4.630928993225098,0.08198853166235745,276,1
OADMET-0003932,COc1ccc(-c2nc(N3CCOCC3)cc3ccccc23)cn1,4.64,4.571010589599609,0.05338358441185919,2036,0
OADMET-0003930,COCCc1csc(-c2ccc(Oc3ccccc3OC)cc2)n1,4.9,4.3524582862854,0.10350966083812362,2035,1
OADMET-0003921,Cc1cccn2cc(-c3ccc(NC(C)c4cnn(C)n4)cc3)nc12,4.4,4.437941551208496,0.10864322844446961,2034,2
OADMET-0003914,O=C(NCc1nc2ccccc2s1)C(O)c1cc(Cl)cc(Cl)c1,5.16,4.906287670135498,0.1402222736659661,2033,3
OADMET-0003911,COc1nscc1C(=O)NCc1ccc(N2CCCC2)cc1,4.4,3.745780515670776,0.10101374189802023,2032,4
OADMET-0003900,COc1ccccc1-c1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)s1,5.29,4.584595203399658,0.06978159497956296,2031,0
OADMET-0003898,Cc1cccc(-c2cncc(C(=O)N(C)c3cccnc3)c2)c1,4.85,4.398148727416992,0.08909125477138502,643,1
OADMET-0003889,Cn1ccnc1-c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1,4.89,4.324824523925781,0.10281869805285845,2030,1
OADMET-0003884,COc1ccc(C(=O)NC(CNS(=O)(=O)c2cnn(C)c2)c2ccccc2)cc1Cl,4.58,4.682075119018554,0.09635707906496897,251,2
OADMET-0003879,O=C(COc1ccon1)Nc1ccc2c(c1)OC1(CCCC1)O2,4.21,5.2347454071044925,0.07250691273617263,2029,2
OADMET-0003872,c1cc(-c2noc(-c3cn[nH]c3-c3ccc4c(c3)OCO4)n2)cs1,4.39,3.9289856910705567,0.0965753425985736,2028,3
OADMET-0003866,N#CC1(C(=O)Nc2ccc3c(F)n[nH]c3c2)CCCCC1,5.07,4.911741733551025,0.13883658695159248,2027,4
OADMET-0003864,Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OCC(F)F)cc1[N+](=O)[O-],4.92,4.62132453918457,0.10151674504183465,2026,0
OADMET-0003862,O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NC1CCc2[nH]ncc2C1,4.37,3.8570823669433594,0.13648825683676796,2025,1
OADMET-0003860,CC(NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)c1ccc(OCC(N)=O)cc1,4.97,4.673741340637207,0.07180285321264653,2024,2
OADMET-0003858,O=C(NCC1C2Cc3ccccc3C12)c1cc2c(F)cccc2[nH]1,4.64,5.59779691696167,0.0536572697263694,2023,1
OADMET-0003857,Cc1ccc(C(=O)NC2CCc3ccccc3C2)cc1NS(C)(=O)=O,5.11,4.760526466369629,0.07763208835113852,2022,0
OADMET-0003853,Cc1cccc(-c2cncc(C(=O)Nc3ccccc3C(N)=O)c2)c1,4.92,4.472400379180908,0.11017953974475322,643,1
OADMET-0003848,COc1cccc2[nH]c(C(=O)NCC#CC3CCCCO3)cc12,4.07,4.591450023651123,0.08597861205060814,2021,4
OADMET-0003844,COc1cc(F)c(C(=O)Nc2cc(C)n(C3CCCCC3)n2)c(F)c1,4.54,5.021729469299316,0.07018198999492717,642,2
OADMET-0003835,COc1ccc(-c2cc(C(=O)NCc3nc4c(C)cccc4[nH]3)[nH]n2)cc1,3.9,4.20055513381958,0.09250712492980148,298,4
OADMET-0003834,CCc1nn(Cc2coc(-c3cccc(OC)c3)n2)c(=O)c(C#N)c1CC,5.26,5.019489002227783,0.11077342463052137,641,3
OADMET-0003833,CC(=O)N(c1nnc(SCCOc2ccc(Cl)cc2)s1)C1CC1,4.76,5.100155353546143,0.08293423333622361,640,4
OADMET-0003832,N#CC(c1ccccc1)C1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2,5.34,5.13924732208252,0.07317278335531321,639,0
OADMET-0003829,CCc1ncc(Br)cc1C(=O)Nc1cc(C(C)(C)F)on1,4.49,4.865001010894775,0.12308703147943116,2020,4
OADMET-0003828,COc1ccc(Cl)c2c1CCCC2NCc1nnc(C(C)C)[nH]1,4.77,4.865291404724121,0.09696709344523609,2019,0
OADMET-0003827,Cc1c(Cl)ccc2ccc(N3CCCC(c4ccn[nH]4)C3)nc12,4.17,5.611326503753662,0.06834707175133355,638,1
OADMET-0003823,CC(C)(NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1)c1cccs1,5.02,4.735803413391113,0.14741359051355205,2018,1
OADMET-0003816,CCC1(CO)CCCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C1,4.83,5.5670873641967775,0.07710527404422231,2017,2
OADMET-0003811,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,4.56,4.192631006240845,0.13921437158903593,622,2
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,4.86,5.026988315582275,0.11825103049066145,2016,3
OADMET-0003809,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,4.67,4.597088718414307,0.13525785136412224,2015,4
OADMET-0003808,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,3.54,2.3439139842987062,0.16598179309727948,2014,0
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,4.92,4.608417510986328,0.16472653963179332,2013,1
OADMET-0003806,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,3.28,4.0001549243927,0.19191999095956558,2012,2
OADMET-0003805,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,4.42,4.069919729232788,0.13699771707629316,2011,3
OADMET-0003804,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,4.4,5.118469524383545,0.16733316085988711,2010,3
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,3.27,3.820360469818115,0.11315905254757065,2009,0
OADMET-0003802,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,4.61,3.0353341579437254,0.134593836556402,2008,1
OADMET-0003801,Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1,3.96,4.095858573913574,0.14022299629885449,2007,2
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)Oc1ccccc1,4.48,3.4630034446716307,0.1975445756979657,2006,3
OADMET-0003799,CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O,5.88,5.257612323760986,0.14335918592743552,2005,4
OADMET-0003798,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,4.23,4.062549352645874,0.15177602103530807,2004,0
OADMET-0003797,CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,4.26,4.142453622817993,0.11488904626515455,2003,1
OADMET-0003796,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,4.86,4.837331771850586,0.44698604223710947,636,2
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OADMET-0003793,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,4.16,3.899401569366455,0.08578089244069673,2002,2
OADMET-0003792,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,5.04,4.169527149200439,0.13238477052804914,611,2
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OADMET-0003790,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,3.27,5.253016376495362,0.11282427501976758,296,0
OADMET-0003789,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,3.24,3.8112560749053954,0.13811022678464518,632,1
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OADMET-0003787,CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,4.06,3.243780326843262,0.1908729955223459,630,4
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,2.92,4.941676044464112,0.11841070060217623,1999,3
OADMET-0003785,O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,2.02,5.315836334228516,0.09661482742631236,1998,4
OADMET-0003784,Cn1sc(Cl)cc1=O,2.59,2.986583185195923,0.12546496781693642,1997,2
OADMET-0003783,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,4.86,4.817146110534668,0.21565308349224416,624,0
OADMET-0003782,Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1,4.17,4.222927856445312,0.030915833678616663,213,3
OADMET-0003781,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,5.46,4.632668495178223,0.4592477970349418,636,2
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,6.22,3.7228626728057863,0.09575656801169385,244,1
OADMET-0003779,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,4.67,4.950334262847901,0.17435957025169363,1996,4
OADMET-0003777,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,1.89,1.589868927001953,0.06521618302456217,1995,0
OADMET-0003775,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,3.06,4.586737537384034,0.07889235843582233,1994,1
OADMET-0003773,CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,4.85,3.2971279621124268,0.11547098389678287,1993,2
OADMET-0003772,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,1.78,2.9448707580566404,0.10869055983512253,1992,3
OADMET-0003771,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,2.51,2.4242510318756105,0.12373683646444507,93,0
OADMET-0003770,CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,3.79,3.8138030052185057,0.06410124802626012,1991,4
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)c2n1,4.12,4.924819469451904,0.15589560246958822,1990,0
OADMET-0003768,O=[N+]([O-])c1ccc(-c2ccccc2)cc1,2.54,3.6254759788513184,0.16062657535562158,96,4
OADMET-0003767,COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,2.03,4.025626134872437,0.21119306283558323,1989,1
OADMET-0003766,Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,3.89,4.1355053901672365,0.06099382680325743,613,0
OADMET-0003765,O=c1[nH]cc(F)c(=O)[nH]1,2.79,1.8237859010696411,0.16267849946473967,1988,2
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,3.94,3.29499831199646,0.20501476706726307,625,4
OADMET-0003763,Nc1nc(=S)c2[nH]cnc2[nH]1,1.79,2.661967658996582,0.07062641454179433,1987,3
OADMET-0003762,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,4.18,4.664186954498291,0.28555577101461377,634,2
OADMET-0003761,N=C(N)NCCN1CCCCCCC1,1.89,2.271772336959839,0.1282777737913565,1986,4
OADMET-0003760,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,3.26,4.102534437179566,0.1816391588210649,1985,0
OADMET-0003759,Oc1c(I)cc(Cl)c2cccnc12,1.76,2.634017896652222,0.16482559924423287,151,4
OADMET-0003758,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,5.11,4.226276874542236,0.03590111530826465,213,3
OADMET-0003757,CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,3.98,4.230503273010254,0.07405491421408306,635,4
OADMET-0003756,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,4.0,4.347876644134521,0.24702897611417968,634,2
OADMET-0003755,C/C=C/c1ccc(OC)cc1,1.87,2.370676946640015,0.22235713652804465,153,3
OADMET-0003754,CC=Cc1ccc(O)c(OC)c1,3.93,3.9666652202606203,0.14016544081968332,82,4
OADMET-0003753,CCN(CC)C(=S)SSC(=S)N(CC)CC,1.76,3.1405823707580565,0.29058280746822834,628,1
OADMET-0003752,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC,4.27,4.0892411231994625,0.20981466692569073,1984,1
OADMET-0003751,CN(CCOP(=O)(O)O)C(=N)N,1.78,2.648844289779663,0.09959260445695851,1983,2
OADMET-0003750,Cc1cc(O)nc(S)n1,2.05,2.439506769180298,0.18317920296824652,1982,3
OADMET-0003749,[O-][n+]1ccccc1S,1.75,1.9389639616012573,0.08190500017725172,1981,4
OADMET-0003748,O=C(O)[C@@H](S)[C@@H](S)C(=O)O,2.01,1.843008542060852,0.09172390546582647,87,4
OADMET-0003747,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,5.28,5.028041362762451,0.08732169156219693,94,4
OADMET-0003746,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,3.89,3.701510524749756,0.06111669061146168,1980,0
OADMET-0003745,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,2.69,3.3876020431518556,0.02262160459693598,1979,1
OADMET-0003744,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,4.46,3.730709981918335,0.07511239835058502,1978,2
OADMET-0003743,O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12,4.78,4.514710521697998,0.10428021939356835,1977,3
OADMET-0003742,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12,2.13,3.7814602851867676,0.14617204077411905,1976,1
OADMET-0003741,CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,4.61,3.643989849090576,0.1086582818706344,1975,0
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)Oc1ccccc1,1.86,4.938546276092529,0.12617534887908924,1974,0
OADMET-0003739,CC(N)Cc1ccc(O)cc1,4.04,2.1153988361358644,0.12648170418311777,627,2
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,5.01,4.364261245727539,0.12585682304515144,1973,1
OADMET-0003737,Nc1c2ccccc2nc2ccccc12,5.21,3.952927255630493,0.1631067056655055,1972,2
OADMET-0003736,CN1C(=O)OC(C)(C)C1=O,2.69,2.626047229766846,0.44702883929341986,1971,3
OADMET-0003735,Oc1c(I)cc(I)c2cccnc12,3.25,2.0506577014923097,0.17032408398358467,151,4
OADMET-0003734,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,4.67,3.4079873085021974,0.07230331023336388,633,2
OADMET-0003733,Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,3.2,4.320863246917725,0.11910305562935229,629,0
OADMET-0003732,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,4.98,4.636040496826172,0.14627942285983675,1970,4
OADMET-0003731,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,4.74,4.4969635009765625,0.12027708196989899,10,1
OADMET-0003730,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,5.74,2.441093349456787,0.12118315992362867,1969,0
OADMET-0003729,CNC1(C)C2CCC(C2)C1(C)C,2.93,4.086895561218261,0.12290076762757411,1968,1
OADMET-0003728,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,2.74,2.2198221683502197,0.11969282466281672,1967,2
OADMET-0003727,CC[P](CC)(CC)=[Au][S][C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,2.54,2.449566602706909,0.187679760705163,1966,3
OADMET-0003726,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,1.98,4.318597793579102,0.049291983111739913,1965,4
OADMET-0003725,CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,4.09,3.9069345951080323,0.07840694132470247,1964,0
OADMET-0003724,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,4.55,3.78226318359375,0.0981309532722227,633,2
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OADMET-0003722,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,3.1,2.720643091201782,0.19209248958363115,32,4
OADMET-0003721,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,1.99,3.0086184978485107,0.207193564499349,93,0
OADMET-0003720,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,2.89,2.332555913925171,0.06742202462521231,1962,2
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OADMET-0003717,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,4.3,5.08458948135376,0.06910522403998749,292,1
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)C1,5.64,4.4305065155029295,0.07252758515557105,1959,0
OADMET-0003715,C[C@@H]1CCC2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4,1.89,2.9570709228515626,0.15872031756153154,1958,1
OADMET-0003714,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,4.54,5.152765083312988,0.08910138314470141,623,1
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OADMET-0003710,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,4.4,4.615408802032471,0.13350025243703012,1955,4
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OADMET-0003705,CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O,1.83,2.5617385387420653,0.0738521980505476,631,3
OADMET-0003704,CN1Cc2c(N)cccc2C(c2ccccc2)C1,4.19,3.9731647968292236,0.10204421874651719,1950,0
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)cc1,4.49,4.757442760467529,0.21033590965751892,616,2
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OADMET-0003701,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,2.24,2.9410250663757322,0.061095676804799375,632,1
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OADMET-0003589,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,3.73,4.185279369354248,0.09569520548537244,1890,4
OADMET-0003588,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,5.18,4.8704852104187015,0.08562005297534707,1889,0
OADMET-0003587,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,5.14,5.026411247253418,0.06023223072264848,619,4
OADMET-0003586,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.77,3.4160939693450927,0.13971251712134336,614,4
OADMET-0003585,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,1.74,2.537195348739624,0.07019435423194888,1888,1
OADMET-0003584,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,4.43,3.7432305335998537,0.2093534260711629,1887,2
OADMET-0003583,C#CCN(C)Cc1ccccc1,2.59,3.759898138046265,0.2556551189263806,618,0
OADMET-0003582,COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,1.79,2.941893148422241,0.13457640280249325,617,1
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,2.04,4.252753734588623,0.10793032122535594,1886,3
OADMET-0003580,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,4.81,4.6927289962768555,0.1653650385085181,616,2
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,2.45,3.836929130554199,0.2646488840933008,1885,4
OADMET-0003578,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,1.79,2.2227344512939453,0.09056935059202806,93,0
OADMET-0003577,CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,4.42,3.9699248313903808,0.18407767178373127,1884,0
OADMET-0003576,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,5.18,4.214412832260132,0.2413462176556729,1883,3
OADMET-0003575,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,4.18,4.92777452468872,0.11373527933935461,1882,2
OADMET-0003574,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,2.36,2.554619836807251,0.09132871937827375,297,0
OADMET-0003573,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,4.52,3.784249448776245,0.2199866724078467,294,2
OADMET-0003572,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,1.82,3.1241024494171143,0.1395927298570806,1881,2
OADMET-0003571,CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,2.24,4.239986515045166,0.16378515688225645,293,3
OADMET-0003570,CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12,4.65,3.78303542137146,0.08312728962176491,615,3
OADMET-0003569,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.75,4.121430063247681,0.16294462756519965,614,4
OADMET-0003567,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,5.24,4.723965263366699,0.09784360340914033,1880,3
OADMET-0003566,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,4.68,4.408131313323975,0.07926256781075353,613,0
OADMET-0003565,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,1.96,2.08358097076416,0.05869215399781717,1879,4
OADMET-0003564,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,4.84,5.768098068237305,0.01120879095655492,94,4
OADMET-0003563,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,6.09,5.679229640960694,0.2571258519050042,160,3
OADMET-0003562,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,5.42,4.62433271408081,0.19564623408431933,150,0
OADMET-0003561,c1ccc2[nH]c(-c3cscn3)nc2c1,2.11,3.8863154888153075,0.11221826455928573,1878,0
OADMET-0003560,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,3.0,2.25512318611145,0.06213578174329171,1877,1
OADMET-0003557,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,4.69,4.617801380157471,0.16247302952315423,1876,2
OADMET-0003556,O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,3.98,3.4735007286071777,0.06381321326195456,72,1
OADMET-0003555,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,4.0,3.3997886180877686,0.11555555511050576,150,0
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,4.71,4.177963352203369,0.17010650289208282,1875,3
OADMET-0003553,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,4.12,4.822742080688476,0.20144372333772675,150,0
OADMET-0003552,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,4.24,3.6569013595581055,0.11660559034602527,150,0
OADMET-0003551,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,4.94,5.175310516357422,0.13512901331963525,1874,4
OADMET-0003550,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,5.25,4.946115112304687,0.07760021564173565,1873,0
OADMET-0003549,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,4.18,3.0971798419952394,0.08993836895545432,1872,1
OADMET-0003548,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,4.18,3.21484956741333,0.1722999164063233,1871,2
OADMET-0003547,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,4.75,3.855753469467163,0.08431109114685881,292,1
OADMET-0003546,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,4.34,4.05528621673584,0.09604668250785509,612,1
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)CC1,4.6,4.669747734069825,0.1795580181635533,1870,3
OADMET-0003544,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,4.7,4.33529634475708,0.14185924582287374,611,2
OADMET-0003543,CNC[C@H](O)c1cccc(O)c1,1.82,2.9356741905212402,0.18946053676172592,1869,4
OADMET-0003542,Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2,5.69,4.45596342086792,0.043657014191412435,610,0
OADMET-0003541,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,2.92,3.4758586406707765,0.19469523534975988,1868,0
OADMET-0003540,CNC(C)Cc1ccccc1OC,2.09,3.938205432891846,0.1511321940342355,7,3
OADMET-0003539,CNCCc1ccccn1,2.38,2.55725040435791,0.04167531962959256,478,3
OADMET-0003538,NCc1ccc(S(N)(=O)=O)cc1,2.57,2.3301608085632326,0.11914357359151094,88,2
OADMET-0003537,CCOC(=O)N1CSCC1C(=O)O,1.77,2.1576602935791014,0.1314546853078462,609,3
OADMET-0003536,Cn1c(Cc2cccs2)nc2cc(C(=O)N3CC(Cc4ccc(F)cc4F)C3)ccc21,5.82,4.683359527587891,0.07193702675670754,1867,1
OADMET-0003535,CC1C(=O)Nc2cc(-c3nc(-c4ccc(N5CCCC5)nc4)no3)ccc2N1C,2.62,4.537174892425537,0.17944924674332577,511,3
OADMET-0003534,Cc1cc(F)c2c(c1)NC(C(=O)NCC1CC13CCSCC3)C2,5.66,5.364576435089111,0.11074625762465948,1866,2
OADMET-0003533,CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)cc1,5.58,5.526232624053955,0.11791880395728478,591,3
OADMET-0003532,CCN(CC)C(=O)CSc1nnc(-c2cc(Cl)ccc2OC)[nH]1,5.62,4.571692848205567,0.13206521060125073,1865,3
OADMET-0003531,Cc1ccccc1-c1noc(C(C)N2CCCC2c2c(C)nn(C)c2C)n1,5.91,4.5126982688903805,0.08857378750603889,1864,4
OADMET-0003530,CC(C)(C)[C@@H]1OCC[C@H]1c1noc(C2OCCc3ccccc32)n1,5.6,5.299573707580566,0.13925938855632272,280,0
OADMET-0003529,CN(C(=O)C1(c2c(Cl)cccc2Cl)CCC1)[C@H]1C[C@@H](C(N)=O)C1,5.74,5.6199699401855465,0.1257179833960373,1863,0
OADMET-0003528,Cn1ncc2ccc(CNc3ncnc4ccc(F)cc34)cc21,1.91,2.7002655506134032,0.17376248110664308,502,1
OADMET-0003527,COc1ccc2c(-c3ccccc3)c(C(=O)NC(C)C)oc2c1,5.005,5.112168502807617,0.08423255337825594,581,1
OADMET-0003526,Cc1cc(F)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)Nc2ccccc2)n1,6.63,5.095669555664062,0.0773513794710756,1862,1
OADMET-0003525,Cc1cc(NCc2ccccc2OC(C)C)cc(C(N)=O)c1,5.42,5.684090805053711,0.07063790335021185,1861,4
OADMET-0003524,Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,5.92,5.476209735870361,0.130372414169111,277,2
OADMET-0003523,Cc1cccc(-c2cncc(C(=O)N3CCc4ccc(S(=O)(=O)N5CCCC5)cc43)c2)c1,5.38,5.453963661193848,0.029129283834531203,608,4
OADMET-0003522,Cc1n[nH]c2ccc(-c3cc4n(c3)C(C3CC3)CNC4=O)cc12,1.73,3.724191427230835,0.1266662956437215,574,3
OADMET-0003521,CCOc1cccc(NS(=O)(=O)c2ccnn2C2CCC2)n1,4.79,5.062857532501221,0.11976151998738334,583,1
OADMET-0003520,CCn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1Cc2ccccc2C(c2ccccc2)C1,5.49,5.202202987670899,0.11041254847524071,1860,2
OADMET-0003519,Cc1ccc(S(=O)(=O)Nc2cccc3nccnc23)cc1Cl,5.12,4.763564395904541,0.08685719054128443,1859,2
OADMET-0003518,COCC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(C)O1,5.25,5.003093147277832,0.09075208537530287,1858,1
OADMET-0003517,Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1,4.91,4.828095817565918,0.07303149449902817,1857,0
OADMET-0003516,CC(=O)NC1Cc2ccccc2N(Cc2c[nH]nc2-c2ccc(C)o2)C1,5.29,4.916457557678223,0.10121869443087628,1856,1
OADMET-0003515,CC1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1c1ccccc1,5.14,4.980950736999512,0.09956600949384867,1855,2
OADMET-0003514,COC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1,5.35,5.204922008514404,0.10333181905442146,1854,3
OADMET-0003513,CNC(=O)Cn1ccc2ccc(NC(=O)C3(c4cc(F)cc(F)c4)CCCC3)cc21,5.66,5.049685001373291,0.01885425994741127,1853,4
OADMET-0003512,CCc1cccc(C)c1NS(=O)(=O)c1cn(C(C)C)cn1,5.89,4.890943813323974,0.1675002251974415,144,4
OADMET-0003511,COCCN(C1CC1)S(=O)(=O)c1cccc2ccn(C)c12,5.55,5.459518909454346,0.14881060085978323,1852,0
OADMET-0003510,CCc1c(C(=O)NC2(CNC(=O)C3COC(C)C3)CCCC2)oc2ccccc12,5.2,5.3056896209716795,0.08829317770356628,1851,1
OADMET-0003509,N#Cc1ccnnc1N1CCCC(c2c[nH]c3ncccc23)C1,2.94,2.929322910308838,0.07028830272004417,1850,2
OADMET-0003508,CC(C)(C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1cccc(Cl)c1F,5.23,4.9922261238098145,0.14088783382436956,1849,3
OADMET-0003506,COc1nccc(C(=O)N2CCCCC2Cc2ccccc2F)n1,5.14,5.3525550842285154,0.03472868375319513,147,1
OADMET-0003505,O=C1CCCN1Cc1ccc(Nc2nccc(Oc3ccccc3)n2)cc1,5.74,4.731993770599365,0.026031663268080447,1848,4
OADMET-0003504,O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCC(c1ccccc1)N1CCOCC1,5.58,4.712951183319092,0.107796034141951,558,0
OADMET-0003503,Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCSCC(C)C3)c12,6.140000000000001,5.621007633209229,0.14825031238831707,1847,0
OADMET-0003502,Cc1cc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)o1,5.35,4.646763896942138,0.13134661037141562,1846,1
OADMET-0003501,Cc1c(CNS(=O)(=O)c2cocc2Br)noc1-c1ccccc1,5.23,5.218911361694336,0.07935082025292568,1845,2
OADMET-0003500,O=C(NCc1cc2ccccc2o1)C1(Cc2ccc(F)cc2)CCOCC1,5.24,5.278431224822998,0.12159915636501813,1844,3
OADMET-0003499,COc1ccccc1-n1ncc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)c1C,6.215,5.5130082130432125,0.09744894903837514,1843,4
OADMET-0003498,O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,5.39,4.333556461334228,0.1341136304244776,607,1
OADMET-0003497,COc1cccc(OCCN2CCN(C(=O)c3scnc3C(C)(C)C)CC2)c1,2.95,4.146071529388427,0.10041266491861048,1842,0
OADMET-0003496,COc1cccc(C2(CNC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)CCCC2)c1,5.77,5.343632507324219,0.050190819172080514,1841,1
OADMET-0003495,COc1cccc(CC2CCN(C(=O)Nc3ccnc(C)n3)CC2)c1,3.42,3.4461031913757325,0.10072950753379467,1840,2
OADMET-0003493,CC(NC(=O)c1ncsc1Nc1ccccc1)c1ccc(NC(N)=O)cc1,5.42,4.138239574432373,0.2677090393153574,1839,3
OADMET-0003492,CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCCC(C)C1,5.47,5.460138511657715,0.11989717278166327,1838,4
OADMET-0003491,CC1(C)CN(S(=O)(=O)CCn2cnnn2)C1c1ccccc1,4.98,4.281567573547363,0.18576038377180043,1837,3
OADMET-0003490,Cn1nccc1S(=O)(=O)N1Cc2ccccc2C(c2ccccc2)C1,5.57,5.281085777282715,0.1630412499288129,1836,2
OADMET-0003489,CNC(=O)CC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2NC2CCC2C2CC2)CC1,5.3,5.413812732696533,0.09670791862914863,1835,1
OADMET-0003488,CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C2CC2)n(C)n1,5.37,5.00867919921875,0.11465299289652675,272,0
OADMET-0003487,CN1CCN(S(=O)(=O)c2cc3ccccc3o2)C(c2ccccc2)C1,4.94,5.022091197967529,0.15004311940300738,63,3
OADMET-0003486,Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)c3cccnc3)ccc2C)c(C)c1,5.880000000000001,5.220635509490966,0.10003476940022704,1834,1
OADMET-0003485,Cc1cc(F)cc2c1N(S(=O)(=O)c1n[nH]c3ncccc13)CCC2,5.57,5.141851329803467,0.08773553320452736,1833,2
OADMET-0003484,O=C(NCc1ccccc1N1CCCC1)c1occc1COc1ccccc1,5.39,5.585203361511231,0.08596940454480374,606,0
OADMET-0003483,Cc1cccn2cc(CC(=O)NC3CCCOc4cc(F)ccc43)nc12,5.45,5.152732944488525,0.030486016386282483,60,4
OADMET-0003482,CCS(=O)(=O)N1CCC(C(=O)N2CC(C)(C)C2C(C)C)CC1,5.43,4.959456157684326,0.21128361157202283,1832,3
OADMET-0003481,O=C(NCC1(c2ccccn2)CCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1,5.38,4.970988178253174,0.06012185184640028,507,1
OADMET-0003480,O=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn(C2CCOC2)c1,5.33,4.778184604644776,0.03687416059925566,1831,4
OADMET-0003479,O=S(=O)(Nc1cnc2c(c1)CCC2)c1ccccc1C(F)F,4.92,5.522708320617676,0.16294959248813287,299,2
OADMET-0003478,O=C(Cc1cccc(F)c1)NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1,1.83,2.833106184005737,0.12448033955688402,1830,0
OADMET-0003477,Cc1ccc(NC(=O)C2CCCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2)nc1,5.9,5.346317386627197,0.04787932890890919,1829,1
OADMET-0003476,COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1,4.79,4.628337574005127,0.08033359565506677,149,1
OADMET-0003475,Cc1ccc(CNc2nc3ccccc3n2C(C)C)nc1,4.9,4.402041244506836,0.07883205184114339,1828,2
OADMET-0003474,CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CC(C)(C)C1c1ccccc1,5.89,5.8445008277893065,0.09420814449332886,291,4
OADMET-0003473,CSc1ccnc(N2CCCC(C)(CNC(=O)C3(C)CCC3)C2)n1,5.98,5.623160171508789,0.1129036790316479,1827,3
OADMET-0003472,CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1OCC,6.015000000000001,5.251328086853027,0.1604916037684941,142,3
OADMET-0003471,Cc1cc(NC(=O)CCc2c[nH]nn2)cnc1N1CCCCC1C,5.4,5.0230813980102536,0.10770735830303428,1826,4
OADMET-0003470,Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCOCC3(CCCC3)C2)cc1,5.82,4.7694581031799315,0.06007562061253945,140,0
OADMET-0003469,CCCC(C)c1cc(NS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)[nH]n1,4.82,4.8329425811767575,0.12498913695741563,252,2
OADMET-0003468,CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C#N)c(SC)[nH]c1=O,1.85,3.740165424346924,0.13688360135550157,595,1
OADMET-0003467,CC(C)N(C)c1ccccc1NS(=O)(=O)c1cnn(C2CCC2)c1,6.494999999999999,5.793223857879639,0.10125740594875683,63,3
OADMET-0003466,CC1CN(C(=O)NCC2CCOc3ccccc32)Cc2ccccc2O1,5.3,4.969906997680664,0.1210679200075269,290,2
OADMET-0003465,Cc1nc(C(=O)NC(C)C(C)(C)c2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1,5.54,5.24552583694458,0.13201407326286102,1825,0
OADMET-0003464,COc1ccc(C(NC(=O)N2Cc3ccccc3C2)C2CC2)cn1,5.16,5.144551849365234,0.06968700159427542,107,0
OADMET-0003463,C[C@H]1C[C@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)c2ccsc2S1(=O)=O,5.14,5.241527843475342,0.06559417250499817,1824,0
OADMET-0003462,CCC1CCc2nc(NC(=O)c3c(C)nn(C)c3-n3cccn3)sc2C1,4.92,4.876020908355713,0.07647973403313028,1823,2
OADMET-0003461,CNC(=O)CCOc1ccc(Nc2ncnc3ccsc23)cc1,1.76,1.9850607872009278,0.07235929469170656,1822,3
OADMET-0003460,CN(C)C(=O)[C@@H]1CCCN1c1nc(-c2ccccc2C(F)(F)F)cs1,5.555,5.4050322532653805,0.04941637458193513,1821,4
OADMET-0003459,Cc1cc(C)cc(-c2nnc(NC(=O)N3CCNC(=O)C3C(C)C)s2)c1,5.04,4.620465183258057,0.06442305048559131,1820,0
OADMET-0003458,Cc1nc(NCc2ccc(N3CCOC(C)C3)nc2)c2c(C)csc2n1,2.05,3.7924564361572264,0.20511487610324744,1819,1
OADMET-0003457,CCn1ncc2c(=O)n(CC3CCC(c4ccccc4)CC3)cnc21,5.25,4.638785076141358,0.08241837390532177,1818,2
OADMET-0003456,Cc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)n(C)n1,1.79,2.5562203884124757,0.04345221538765904,1817,3
OADMET-0003455,O=C(NCc1ncc[nH]1)C1(c2cccc(Br)c2)CCCCC1,5.47,5.2708484649658205,0.05281286060929449,1816,4
OADMET-0003454,Cn1cc(-c2ccc(C(=O)N3CCCC(n4ccnn4)CC3)o2)cn1,1.78,3.228633975982666,0.13039600783247626,39,2
OADMET-0003453,O=C(NCc1ccc2occc2c1)NC1CCCc2cn(C3CCCC3)nc21,5.28,5.201447296142578,0.11263331498657085,172,0
OADMET-0003452,CC(C)c1[nH]ccc1C(=O)NC1COc2c1ccc(Cl)c2Cl,5.67,5.222457695007324,0.10498619554651077,1815,0
OADMET-0003451,COC1(C(=O)NC2CCN(c3ccccc3OC(F)F)C2)CCCCC1,5.66,5.38177490234375,0.08377501592615082,65,4
OADMET-0003450,Cc1ccc(F)c2c1CCCN2C(=O)c1nc(-c2cnn(C)c2)oc1C,5.28,5.1845982551574705,0.0749556012548011,605,1
OADMET-0003449,CC(C)(C)c1ncc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cn1,5.57,4.680881786346435,0.11118076453290564,542,2
OADMET-0003448,O=C(NCc1cccc(CO)c1)N1CCCC1Cc1ccc(F)cc1,5.01,4.972391986846924,0.17634882986796613,363,3
OADMET-0003447,CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCCN(S(C)(=O)=O)C1,5.49,5.093728542327881,0.08083831120548367,1814,4
OADMET-0003446,Cc1csc(C(C)(C)NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n1,5.35,5.243295097351075,0.062446750874430676,1813,0
OADMET-0003445,CC(C)C(Cc1ccc(F)cc1)N(C)C(=O)Cc1ncccc1F,5.21,5.371017742156982,0.12968932299789857,1812,1
OADMET-0003444,Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(C(N)=O)co2)n1,2.55,4.058992099761963,0.06883677350093095,1811,4
OADMET-0003443,O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCCC(OCCO)C1,2.49,3.17568039894104,0.06935508033484368,1810,1
OADMET-0003442,Cc1cccc(S(=O)(=O)N2CC(c3ccccc3)OCC2(C)C)c1C#N,6.325,5.744454383850098,0.16053061417869738,1809,2
OADMET-0003441,COc1ccc(CNC(=O)N2CC3(CC=CC3)C2C(C)C)cc1OC(F)F,5.75,6.00162992477417,0.239280821632815,1808,3
OADMET-0003440,O=C(NC(Cc1ccccc1)c1ncco1)N[C@H]1CCC[C@@H](C2CC2)C1,5.49,4.736537075042724,0.11473668425597885,1807,4
OADMET-0003439,Cc1cc(Cl)cc(C(=O)N(C(C)CS(C)(=O)=O)C2CC2)c1,5.33,5.160049057006836,0.08473383491615913,1806,0
OADMET-0003438,Cc1cccc(Cl)c1S(=O)(=O)Nc1cc2n(n1)CCCC2,6.0,5.37169828414917,0.15699936808148907,604,2
OADMET-0003437,CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc3CC2)cn1,5.955,5.088507843017578,0.0563906714054641,1805,1
OADMET-0003436,Cc1cccc2c1N(C(=O)CCc1nc(C3CCCC3)no1)CCC2,5.859999999999999,5.338297557830811,0.08674777751903315,1804,2
OADMET-0003435,CC(C)C1CCc2ccccc2N1C(=O)c1csc(-c2cnn(C)c2)n1,5.56,5.634750461578369,0.11407706660348944,289,2
OADMET-0003434,CC1CCCN(c2cc(C(=O)N3CCCc4cc(C#N)ccc43)ccn2)C1,6.01,5.473656272888183,0.1362953740953969,1803,3
OADMET-0003433,CCN1c2ccccc2N(CC(=O)N2CCCc3ccccc32)S1(=O)=O,5.83,5.9740959167480465,0.11182899777031786,603,2
OADMET-0003432,CC(CS(C)(=O)=O)c1nc(C2(c3cccc(Cl)c3)CCC2)no1,5.48,5.387841701507568,0.06991156814631296,1802,4
OADMET-0003431,CCc1ccc(NC(=O)N2CC(COC)(C3CCC3)C2)cc1F,5.7,4.916129779815674,0.1037657535564227,524,0
OADMET-0003430,COc1nn(C)cc1NC(=O)N1CC(Cc2ccccc2Br)C1,3.79,4.5073081970214846,0.0683518028845836,1801,0
OADMET-0003429,Cc1ccc(C2(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)CCC2)cc1,5.31,4.745808219909668,0.06794689237221636,1800,1
OADMET-0003428,COc1ccc(C2(c3noc(CC4CCOCC4)n3)CCCC2)cc1OC,5.09,4.588481807708741,0.0360829307275449,328,2
OADMET-0003427,O=S(=O)(c1ccccn1)N1CC2(CCCCC2)C1c1ccccc1,5.34,5.629435348510742,0.11596424400529706,1799,2
OADMET-0003426,CC1(C)C(CNC(=O)NCc2cccc3ccsc23)C1(F)F,5.49,4.264860153198242,0.06725520722970738,1798,3
OADMET-0003425,CN1CCCN(S(=O)(=O)c2cccc(NCc3cc(F)cc(C(F)(F)F)c3)c2)CC1,5.59,5.291019344329834,0.05080221374991938,1797,4
OADMET-0003424,COC(=O)c1sccc1C(=O)N1CC(c2ccccc2)(C(C)C)C1,5.69,5.3627769470214846,0.03864030910708139,1796,0
OADMET-0003423,c1ccc(COc2cccc(CNc3ncnc4sccc34)c2)nc1,3.0,3.4447346687316895,0.08101454416329633,568,4
OADMET-0003422,Cc1ccoc1C(=O)N1CCCCC1c1nc(-c2ccccc2)c[nH]1,5.53,4.95668249130249,0.02368491538500315,40,1
OADMET-0003421,COc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1,3.38,3.7829763412475588,0.08995153077447013,1795,1
OADMET-0003420,CC1(C)CC(NC(=O)Nc2ccn(CC(F)(F)F)n2)c2ccccc21,5.3,5.502057456970215,0.1004339307092414,1794,2
OADMET-0003419,CCOC(CS(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1,5.68,5.459699630737305,0.1486746605278611,1793,3
OADMET-0003418,Cc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CCOc2cccc(F)c2C1,5.44,5.374644184112549,0.0534427470735136,1792,4
OADMET-0003417,CC(C)(C)c1ccc(S(=O)(=O)N2CC(O)Cc3ccccc32)s1,5.87,5.98432502746582,0.212805396331613,1791,0
OADMET-0003416,O=C(c1ccccc1)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1,4.81,4.211711597442627,0.1466459638875178,1790,3
OADMET-0003415,Cc1cc(C(C)C)nc(N2CCN(C(C)c3nc(C4CC4)no3)CC2)n1,5.89,4.992723178863526,0.07123285368652117,1789,2
OADMET-0003414,CC(C)C1CCc2ccccc2N1C(=O)Cn1ncc(=O)c2ccccc21,6.845,5.947555828094482,0.13330262207604943,289,2
OADMET-0003413,O=C(NCCc1ccccc1OC(F)F)N1CCOCC(C2CCC2)C1,5.54,5.3486370086669925,0.08539721033295349,67,1
OADMET-0003412,Cn1ncc(C(=O)N(Cc2ccccc2)C2CCCC2(C)C)c1C#N,5.975,5.47802963256836,0.09565154255888776,1788,2
OADMET-0003411,C[C@@H](NC(=O)NC(C1CC1)C1CCCCO1)c1ccc(-n2cccn2)c(F)c1,5.8,5.0482524871826175,0.04140413186546986,149,1
OADMET-0003410,O=C(CCc1ccncc1)N1CCC(Cc2ccccc2)C1,2.28,4.333696079254151,0.04236810094055371,9,2
OADMET-0003409,Cc1nc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)c(C)s1,6.41,5.520229053497315,0.16144452721091074,1787,3
OADMET-0003408,Cc1sc(NC(=O)CN(C(C)C)C2COC2)c(C#N)c1C,5.45,5.461413192749023,0.17437389385525634,1786,4
OADMET-0003407,Cc1cccc(C)c1C1CCCN1C(=O)NCc1nccn1CC(C)C,5.48,5.8597643852233885,0.12244654271749583,148,2
OADMET-0003406,Cc1ccc(S(=O)(=O)N(C)Cc2ccn(C(C)C)n2)cc1C,5.85,5.238884830474854,0.10810753025955534,1785,0
OADMET-0003405,Cc1cc(C(=O)NC2CCN(c3ccccn3)C2)ncn1,2.42,2.7817750453948973,0.09712029645824456,288,3
OADMET-0003404,Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)c1Cl,5.88,5.257753181457519,0.13118275227089515,1784,1
OADMET-0003403,CC(C)c1noc(=O)n1CC(=O)N1c2ccccc2CCC1C,5.61,5.452872467041016,0.0774550360505456,137,4
OADMET-0003402,CC(C)c1ccc(OCC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1,5.81,4.800726509094238,0.07269021411022358,80,2
OADMET-0003401,N#Cc1cc(C(=O)N2CC3(CCCCC3)C2c2ccccc2)c[nH]1,5.25,5.217385101318359,0.19900866882378676,146,3
OADMET-0003400,Cc1[nH]c2ccccc2c1CC(=O)NC1CCCOC1CC(C)C,5.38,5.568542385101319,0.05980296272231145,597,4
OADMET-0003399,CC(O)CN(c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1,5.3,4.889696025848389,0.08787276944400502,602,0
OADMET-0003398,Cc1csc2c(=O)n(CC(=O)N3c4ccccc4CCC3C)cnc12,5.33,5.407354068756104,0.08836811466910663,137,4
OADMET-0003397,CCn1ccnc1C1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1,6.470000000000001,4.837882137298584,0.0771692860772691,1783,2
OADMET-0003396,O=C(C1CC1)N1CCCN(c2ccccc2S(=O)(=O)C(F)F)CC1,5.33,6.024720859527588,0.10075338616358255,62,4
OADMET-0003395,COc1ccccc1CC1CCCN1C(=O)c1cnn(C(C)(C)C)c1,5.58,5.842695808410644,0.05284789809260452,147,1
OADMET-0003394,CCc1ccc(C(O)CNc2ncnc3[nH]ncc23)cc1,1.74,3.033785104751587,0.04424640412022058,1782,3
OADMET-0003393,CCc1nc(C#N)cc(Oc2ccc3c(c2)CN(C)C3=O)n1,1.97,3.8047807693481444,0.09717274634606621,1781,4
OADMET-0003392,NC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)O1,3.33,2.4598183155059816,0.048971876051051126,1780,0
OADMET-0003391,Cc1cc(COCC(=O)N2CCCN(c3ccccc3F)CC2)no1,5.06,4.62836446762085,0.14973145428587548,24,3
OADMET-0003390,Cc1onc(-c2cccs2)c1C(=O)Nc1cnn(C(C)C2CC2)c1,5.29,4.942650890350341,0.11532392111464318,60,4
OADMET-0003389,COc1ccc(Cl)cc1C(O)CNC(=O)c1cccc2c1OCC2,5.31,5.384329986572266,0.04370903602796905,158,4
OADMET-0003388,Cc1cc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cnc1N,5.5,5.388195419311524,0.09274608120421178,157,1
OADMET-0003387,CS(=O)(=O)c1ccc2c(c1)N(C(=O)C1OCCc3ccccc31)CCO2,4.97,4.9728803634643555,0.06320746204676951,1779,1
OADMET-0003386,CC(=O)N(C)c1ccc(NC(=O)C(C)Oc2cccnc2)cn1,3.35,3.3534664154052733,0.09821389253618562,1778,2
OADMET-0003385,CC(C)(C)C1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1,5.48,5.2284527778625485,0.2508720981379077,1777,3
OADMET-0003384,CC(C)(C)c1coc(CNC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)n1,5.16,5.6504288673400875,0.05821434038552204,281,1
OADMET-0003383,C=CCn1cccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C,5.38,4.425083637237549,0.06896432702219393,1776,4
OADMET-0003381,O=C(NCc1nnc2ccc(C(F)(F)F)cn12)N1CC2CSCC(C2)C1,4.635,5.053712654113769,0.025917665735347612,1775,0
OADMET-0003380,Cc1nnnn1-c1ccc(C(=O)N2CC(C)Cc3ccccc32)c(F)c1,5.02,4.671637535095215,0.14899893061517633,1774,1
OADMET-0003379,Cc1cc(C(=O)NC(CO)c2ccccc2C(F)(F)F)oc1C,5.68,4.951872158050537,0.14687383614311644,556,2
OADMET-0003378,CCc1ccc(S(=O)(=O)N2CCCc3cnn(C)c32)cc1,5.51,5.376330184936523,0.08894594200973233,1773,2
OADMET-0003377,Cc1c(Br)cccc1CCNC(=O)c1ncoc1C1CC1,5.57,5.180262470245362,0.11537721972544716,1772,3
OADMET-0003376,Cc1cc(F)ccc1CC(C)NC(=O)N1CCCC(C2CCCCO2)C1,5.81,5.668274593353272,0.14715061994573508,287,4
OADMET-0003375,COC(=O)c1cnc(NC(C)c2nccc(C)n2)cc1C(F)(F)F,5.19,4.844742965698242,0.1264166687887919,1771,4
OADMET-0003374,COc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)C1CC1)CCC2,5.16,5.5327832221984865,0.11767352808691214,166,3
OADMET-0003373,O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(-c2ccncc2)on1,1.86,2.660626840591431,0.20635096085744614,47,0
OADMET-0003372,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(Cl)c1O,5.37,5.39745397567749,0.12244712490868688,246,2
OADMET-0003371,CC(NC(=O)c1snc(O)c1Cl)c1cc(F)ccc1N(C)C,5.05,4.229663562774658,0.15894095159209348,601,3
OADMET-0003370,CC(c1nnc[nH]1)N1CC=C(c2cncc3ccccc23)CC1,2.45,4.218001747131348,0.1332190920962783,1770,0
OADMET-0003369,Cc1[nH]c2ncnn2c(=O)c1CCOC(=O)c1cncc(C(C)C)c1,1.96,3.8038442134857178,0.17501378344033383,600,0
OADMET-0003368,Cc1cn(C)nc1CS(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C,6.27,5.1890030860900875,0.0807565822559457,1769,1
OADMET-0003367,CC(C)n1nnc(NC(=O)N2CC3(CCC3)C2c2ccccc2)n1,5.56,5.153309440612793,0.14940591099410488,146,3
OADMET-0003366,Cn1nccc1C1(NC(=O)Nc2nc(C(C)(C)C)ns2)CC1,5.59,5.305861854553223,0.07806433066197294,1768,1
OADMET-0003365,CC(C)C1CCc2ccccc2C1NC(=O)CS(=O)(=O)C(C)(C)C,5.58,5.901709938049317,0.17109051703437098,163,1
OADMET-0003364,Cc1c(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)nnn1-c1cccc2ncccc12,3.18,4.328941440582275,0.19432407325319093,1767,3
OADMET-0003363,O=C(NC1CCN(C2CCCCC2)C1=O)N[C@]1(c2ccccc2F)C[C@@H](F)C1,5.84,4.830659484863281,0.08636174726113463,99,3
OADMET-0003362,Cc1csc(CNC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1,5.61,5.294568157196045,0.08253583833165723,1766,3
OADMET-0003361,CNC(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)c1,1.88,3.2824746131896974,0.10606477219779244,286,2
OADMET-0003360,CC1(C)C=Cc2cccc(NCC(O)CC3(O)CCCC3)c2O1,5.39,5.398034000396729,0.15119934057922316,1765,2
OADMET-0003358,O=C(c1cccc(C(F)(F)F)c1O)N1CCOC(C2CCCCC2)C1,4.86,4.796949577331543,0.07511837621206834,1764,2
OADMET-0003357,N#CCc1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c(Cl)c1,6.255,5.2230987548828125,0.12034925491226975,1763,3
OADMET-0003356,Cc1cnc2c(cnn2CC(=O)NC2(c3ccccc3Cl)CC2)c1,5.45,5.720010375976562,0.100552253476748,253,4
OADMET-0003355,CCc1cc(N2CCC(NC(=O)c3cccc(C)c3F)CC2)ncn1,2.96,4.286733818054199,0.09397267905790212,527,0
OADMET-0003354,CC1CNCC(Cn2cc(-c3cn4ccccc4n3)nn2)C1,3.9,3.801622724533081,0.12520403792532012,1762,4
OADMET-0003353,COc1ccccc1C1CCN(C(=O)c2nccc3cccnc23)C1,5.64,5.182565116882325,0.06890547747379933,599,0
OADMET-0003352,COCC(C)(C)c1noc([C@@H](C(C)C)N2Cc3ccccc3C2=O)n1,5.59,5.239388561248779,0.10140154007861173,1761,0
OADMET-0003351,COc1ccc(O)c(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1,5.07,4.7446213722229,0.11719437059534041,598,4
OADMET-0003350,CCc1cc(NC(=O)N2CC3(CCCC3)C2c2ccccc2)no1,5.82,5.2811847686767575,0.0972017095410705,146,3
OADMET-0003349,COc1c(C)cnc(CN(C)C(=O)NC2CCCOC2CC(C)C)c1C,5.41,5.29994764328003,0.07982480529730003,597,4
OADMET-0003348,COc1ccccc1-c1cn(Cc2noc3c2CC(C)(C)CC3)nn1,6.33,5.47363862991333,0.06211564877327455,59,0
OADMET-0003347,CN1CCN(C(=O)Nc2ccc(N3CCCCC3)nc2)Cc2ccccc21,5.83,4.692613220214843,0.1151611776782702,256,0
OADMET-0003346,C=C1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1,5.34,5.057923889160156,0.13444740477690617,596,3
OADMET-0003345,CCC(Cc1ccc(C)cc1)NC(=O)NC(c1cccc(C(F)(F)F)c1)c1nnc[nH]1,4.975,5.153720283508301,0.028326536283890667,1760,1
OADMET-0003344,Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cc(-c2ccco2)[nH]n1,6.26,5.328836154937744,0.1405573314775779,245,3
OADMET-0003343,Cc1c(Cl)c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nn1C,5.965,4.933968925476075,0.10503795351402496,1759,2
OADMET-0003342,COc1cc(C)nc(N2CCN(C(=O)c3cccc(C(C)C)n3)CC2)n1,5.38,4.71660680770874,0.04243331280820472,92,0
OADMET-0003341,O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2ccccc12,6.09,5.525584125518799,0.08751406031626853,314,4
OADMET-0003340,C[C@H]1CCN(C(=O)c2ccccc2Oc2cnn(C)c2)[C@@H](C)C1,4.98,3.642646312713623,0.24785533328002357,1758,3
OADMET-0003339,CC(C)(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1CCOCC1,2.62,3.2277880668640138,0.09275564562339941,1757,4
OADMET-0003338,CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1,5.42,4.574126243591309,0.08959244018571871,595,1
OADMET-0003337,O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C2CCC1c1cn[nH]c1C2,5.01,5.6415098190307615,0.08667852347328363,1756,0
OADMET-0003336,Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1,5.65,5.547579193115235,0.07526400648840083,285,4
OADMET-0003335,Cc1nn(C)c(C)c1C(=O)NCc1c(C)c2ccccc2n1C,1.85,4.4114738464355465,0.11248610076398598,1755,1
OADMET-0003334,CCN(C(=O)c1nc(CC(F)(F)F)sc1C)C12CC3CC(CC(C3)C1)C2,6.16,6.201371192932129,0.1506985884253524,1754,2
OADMET-0003333,CC1(Cc2cccs2)CCCN1C(=O)Cn1nnc2c1CCCC2,5.44,5.7846697807312015,0.14228399567287833,1753,3
OADMET-0003332,O=C(c1cc(Cl)ccc1NCc1ncnn1-c1ccccc1)N1CCCC1,5.29,5.338557338714599,0.0810763207526315,594,2
OADMET-0003331,COc1cccc(C(O)CNC(=O)c2ccc(N3CCCCCC3)nc2)c1,5.67,5.025161552429199,0.08139211932447656,30,1
OADMET-0003330,Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1c[nH]c2ccccc2c1=O,5.29,5.305821418762207,0.08007944638761454,1752,4
OADMET-0003329,Cn1nc(-c2nc(-c3ccc(C(F)(F)F)[nH]c3=O)no2)c2c1CCSC2,5.67,4.474682903289795,0.11267191206077941,1751,0
OADMET-0003328,CNc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c2cc(C(F)(F)F)ccc12,5.13,5.074328994750976,0.17025407048683092,535,3
OADMET-0003327,Cc1cccnc1S(=O)(=O)NCC(OC1CCCC1)C(F)(F)F,5.69,5.496925163269043,0.07721252971536789,1750,1
OADMET-0003326,Cn1nc(C(=O)Nc2cnc3c(c2)CCCC3)c2c1CCCC2,5.39,5.083790397644043,0.07802161668041914,1749,2
OADMET-0003325,O=C(NCc1cccc2c1OCO2)N1CCCC2(CC=CCC2)C1,5.69,5.616453361511231,0.1540593308900403,1748,3
OADMET-0003324,CN1C(=O)CCCc2occ(C(=O)N3CCc4c3ccc(Cl)c4Cl)c21,5.86,5.639041900634766,0.09275141711959489,1747,4
OADMET-0003323,CCOc1cc(NC2CCN(C(=O)C3CCc4cccnc43)CC2)ncn1,2.69,4.602373695373535,0.08234841525658451,284,0
OADMET-0003322,Cc1cccnc1C(NC(=O)c1csc2cncn12)C(C)(C)C,6.23,5.009898567199707,0.09506510517194185,1746,0
OADMET-0003321,Cc1cccc2c1CN(C(=O)C1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2,5.84,4.87286376953125,0.06427317570719676,1745,1
OADMET-0003320,Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1c(F)cccc1Cl,5.24,5.107438850402832,0.12894689173092413,1744,0
OADMET-0003319,Cc1ccc(S(=O)(=O)CC(C)NC2CCC23CCCC3)cc1,5.13,5.140170860290527,0.07841621000773794,1743,4
OADMET-0003318,Cc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1,5.45,4.912659931182861,0.03119803513249753,593,1
OADMET-0003317,Nc1ccn2ncc(C(=O)NC3CC(=O)N(C4CC4)C3)c2c1,2.65,2.880049228668213,0.09170268680280814,1742,3
OADMET-0003316,CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)s1,5.945,5.720097637176513,0.16608342661062375,1741,3
OADMET-0003315,COc1ccc(C2(NC(=O)c3c[nH]c4ncc(Br)cc34)CC2)cc1,5.1,4.56756010055542,0.15122034815139002,1740,4
OADMET-0003314,COC(=O)c1c(CN(CC2CCCC(C)C2)OC)nn2c1CCCC2,5.77,5.830609226226807,0.09216032869315047,90,1
OADMET-0003313,Cc1nn(C)cc1C1CCCN1C(=O)c1cnn(C2CCC2)c1,3.31,4.31490478515625,0.1198716855283664,209,4
OADMET-0003312,CS(=O)(=O)NCc1ccc(C(=O)N2CCCCCc3ccccc32)o1,5.865,5.329282951354981,0.025531847989438146,1739,0
OADMET-0003311,CCCc1c(NCc2nnnn2C(C)(C)C)cnn1-c1ccccc1C,5.78,5.604498672485351,0.06925003589898412,1738,1
OADMET-0003310,CCOC(=O)c1cnc(NC2C(=O)NCC2(CC)CC)s1,5.64,4.984793853759766,0.20149883003365915,279,3
OADMET-0003309,CN(C)S(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F,5.33,5.232396030426026,0.058784119877031825,592,4
OADMET-0003308,NC(=O)C(Cc1ccccc1)n1cc(-c2cccc3c2CCCC3)nn1,5.0,4.959982967376709,0.054303506796652606,1737,2
OADMET-0003306,COc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)Oc2ccccc21,5.76,5.606764030456543,0.15735086169905288,142,3
OADMET-0003305,O=C(Nc1ccc(C(F)(F)F)nn1)Nc1cc(CC2CCCCC2)n[nH]1,1.83,4.802429103851319,0.05316617006145313,1736,3
OADMET-0003303,CC(=O)N1CCCN(Cc2nc(-c3ccc(F)c(C)c3)no2)c2ccccc21,5.62,5.599382209777832,0.021216893749821022,1735,4
OADMET-0003302,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cn[nH]c1,4.86,4.48786096572876,0.11516980706088764,156,1
OADMET-0003301,CCc1cc(NC(=O)NC2Cc3ccccc3N(C)C2=O)ccc1C,5.42,5.19236421585083,0.07675411187898287,1734,0
OADMET-0003300,O=C(c1cc2ccccc2oc1=O)N1CCN(C2CC2)c2ccccc21,5.27,5.616349887847901,0.13557800730252564,20,2
OADMET-0003299,O=c1c(NS(=O)(=O)c2cnn3c2CCCC3)cccn1C(F)F,4.75,5.190715885162353,0.05384857618202923,1733,1
OADMET-0003298,CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1,5.85,5.307675743103028,0.12107981516798377,144,4
OADMET-0003297,C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc(-c2ccsc2)nn1C,5.55,5.116334247589111,0.0646677103471412,254,1
OADMET-0003296,COc1ccccc1[C@H](O)CNC(=O)C1(c2cc(F)cc(F)c2)CCCC1,5.77,5.33187780380249,0.10984675067823657,1732,2
OADMET-0003295,COc1cc(Cl)ccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1,1.73,4.08282437324524,0.17885260318161478,145,3
OADMET-0003294,Cc1cccc2c1sc(=O)n2CC(=O)N1CCCCC1C,5.23,5.771446228027344,0.15755468964529273,283,0
OADMET-0003293,CC(NC(=O)C1CCCN1C(=O)Cc1ccccc1)c1nc2ccccc2n1C,5.25,4.794445610046386,0.07679794426178262,282,4
OADMET-0003292,CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c2ccccc2O1,5.43,5.407318115234375,0.13966320546026295,1731,2
OADMET-0003291,CN1CCN(C(=O)c2c3ccc(Br)cc3nn2C)c2ccc(F)cc21,5.865,5.254871654510498,0.03295585731814915,98,1
OADMET-0003289,C[C@@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1,5.2,5.546049022674561,0.02546285445272955,281,1
OADMET-0003288,O=c1[nH]c(C2CCCCO2)nc2scc(-c3ccccc3Cl)c12,5.39,4.655199146270752,0.12356491976207527,1730,4
OADMET-0003287,CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(F)c(Cl)c1,5.27,5.699588203430176,0.10668907544613211,591,3
OADMET-0003286,CC(C)CC1(c2nc(-c3ccccc3F)no2)CCNC1=O,5.51,5.062376403808594,0.04088131318534235,1729,0
OADMET-0003285,O=C(NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1)c1ccnn1-c1ccccc1,1.73,4.348030757904053,0.05351445062860625,590,2
OADMET-0003284,O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2CC[C@H](O)[C@H]21,4.89,5.073037338256836,0.13656353672683397,589,4
OADMET-0003283,CN(C(=O)Nc1nc(C2CCOCC2)cs1)C1CCCC1C(C)(C)C,5.79,5.293672561645508,0.10368854285744392,1728,1
OADMET-0003282,CC1(C)CC(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c2ccccc2O1,5.55,5.436383152008057,0.166329384652641,280,0
OADMET-0003281,Cc1noc2ncc(S(=O)(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)cc12,5.45,4.049151420593262,0.15234554126516053,157,1
OADMET-0003280,Cn1cc(C#N)c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)n1,5.32,5.03543872833252,0.12538731889836227,1727,2
OADMET-0003279,O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCCC(F)(F)CC1,4.98,5.52878885269165,0.06964078100258511,1726,3
OADMET-0003278,CC(NC(=O)CCc1ccc2[nH]ccc2c1)c1ccccc1NS(=O)(=O)c1cccs1,5.31,5.194909286499024,0.07504693014739437,1725,4
OADMET-0003277,CSc1ccccc1S(=O)(=O)N1CCCCC1c1cnn(C)c1,5.85,5.26913013458252,0.0988862648238547,1724,0
OADMET-0003276,O=C(NC1CCC(F)(F)CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,5.79,5.701228523254395,0.2139346152416656,160,3
OADMET-0003275,O=C1NCCC1(c1nc(C2(c3ccccc3)CCOCC2)no1)C1CCCC1,5.96,5.2059526443481445,0.09005098197766785,1723,1
OADMET-0003274,CCc1c[nH]c2ncnc(NCc3ccc(CO)c(F)c3)c12,1.74,1.8186106443405152,0.08987645041115869,1722,2
OADMET-0003273,CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC2(CCC2)c2ccccc21,5.54,6.155870246887207,0.10002315408591567,1721,1
OADMET-0003272,Cc1cc(CS(=O)(=O)N2CCc3c(cccc3C(C)C)C2)no1,5.13,5.582163333892822,0.13352225047694366,1720,2
OADMET-0003271,CCC1CN(C(=O)c2cnn3cccc(OC)c23)c2ccccc2O1,5.62,5.262423133850097,0.12267150752451936,1719,3
OADMET-0003270,CC(C)(C)c1nc(CCNS(=O)(=O)Cc2noc3c2CCCCC3)no1,5.99,5.2657242774963375,0.08793837472855047,1718,1
OADMET-0003269,Cc1ccnc(-c2cn(Cc3cccc4ccccc34)nn2)n1,5.83,4.7359569549560545,0.08739981861477653,1717,3
OADMET-0003268,COc1ccc(CNc2cc(OC)ncn2)c(OC2CCCC2)c1,4.99,4.992645168304444,0.10917237777257414,1716,4
OADMET-0003267,COC1(c2ccnn2C)CN(c2ncnc3scc(C)c23)C1,1.75,3.127432918548584,0.12219505353023166,1715,0
OADMET-0003266,CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)N(C)C2CCCC2)c1,6.18,5.509426593780518,0.08901653280619927,536,2
OADMET-0003265,O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2c1,5.15,5.001513290405273,0.02571046862786241,1714,1
OADMET-0003264,O=C(c1ccc(F)c2ccncc12)N(Cc1ccccc1)C(CO)C1CCC1,5.265000000000001,5.253346252441406,0.14255746748503229,1713,2
OADMET-0003263,Cc1cnn(-c2ccncc2N2C(=O)NC3(CC(c4ccccc4Cl)C3)C2=O)c1,4.78,4.828947448730469,0.1250432324901331,1712,3
OADMET-0003262,C[C@H](NC(=O)C1(C#N)CC12CCCC2)c1ccc(Br)cc1F,5.2,5.130904293060302,0.09049421646575637,1711,4
OADMET-0003261,Cc1ccnc2ccc(-c3ccc(N4CCC(O)C4)cc3)cc12,1.74,2.957795810699463,0.20882370208622664,1710,0
OADMET-0003260,CCC(C)n1nc(NC(=O)NCc2nc(C)c(C)s2)cc1C,5.98,5.677634906768799,0.09040002875780583,588,1
OADMET-0003258,Cc1nsc(N2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1,6.105,4.8862449645996096,0.13075239933748223,1709,1
OADMET-0003257,CC1(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC=CCC1,6.6850000000000005,5.250636768341065,0.055561461011512686,315,1
OADMET-0003256,Cc1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)c(=O)n1C,5.09,5.3478796005249025,0.13958686104046056,1708,2
OADMET-0003255,CC(C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC1CCCC1O,5.18,4.778401184082031,0.15910652762390254,1707,3
OADMET-0003254,O=C(CCCc1cccs1)Nc1nc2c(s1)C(=O)NCC2,2.93,3.921865224838257,0.1273553875834516,1706,4
OADMET-0003253,O=C(c1ccnc(C(=O)N2CCCC3(CC3)C2)c1)N1CCCC2(CC2)C1,5.47,5.746348476409912,0.13506152194155102,587,3
OADMET-0003252,NC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1,5.05,4.539310359954834,0.10488392699228166,1705,0
OADMET-0003251,CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1,5.1,5.140458297729492,0.10687618613418186,506,0
OADMET-0003250,CCC1CN(S(=O)(=O)c2ccccc2S(N)(=O)=O)c2cccc(Cl)c2O1,5.06,5.8661809921264645,0.05301092711065458,551,4
OADMET-0003249,CCC1(CC)CNC(=O)C1NC(=O)c1nc(-c2ccco2)sc1C,5.08,5.258054637908936,0.12683502744100472,279,3
OADMET-0003248,O=C(C1SCCc2sccc21)N1CCC(c2ccncc2)CC1,1.83,4.273757266998291,0.03682509371390307,1704,1
OADMET-0003247,COc1ccc2cc(C(=O)NC(C)C3(N4CCOCC4)CCCC3)[nH]c2c1,5.26,5.14836893081665,0.04988191385034418,91,2
OADMET-0003246,CN(C)C(=O)N1CCC(C(=O)N2CCN(C3CC3)c3ccccc32)CC1,5.765000000000001,4.802146339416504,0.08978155530833007,20,2
OADMET-0003245,CC(C)(CC#N)CS(=O)(=O)N1Cc2ccccc2C2(CC2)C1,5.31,5.706566429138183,0.24919168468005856,1703,2
OADMET-0003244,Cc1cc(S(=O)(=O)Nc2cccc3c2OCCC3)sc1C,5.99,5.610397529602051,0.1648435050934848,1702,3
OADMET-0003243,CC(Nc1ncnc2[nH]ccc12)c1ccc(OCc2cccnc2)cc1,1.91,3.2165496826171873,0.09341938610043704,1701,4
OADMET-0003242,CC[C@@H]1C(=O)NCCCN1Cc1nc(-c2cccc(Cl)c2)no1,5.21,4.782577896118164,0.1204699519736342,139,3
OADMET-0003241,Cc1cc(C2CC2)nc(NC(=O)c2nc3ccccc3cc2C2CC2)n1,5.83,5.577961063385009,0.04323857028092929,1700,0
OADMET-0003240,O=C(CC1(c2ccccc2)CCCO1)Nc1nn(Cc2ccccc2F)cc1Br,6.215,5.3673145294189455,0.0682194385064164,1699,1
OADMET-0003239,CCc1cc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)no1,3.78,2.3783935070037843,0.025038710733658185,255,3
OADMET-0003238,COCC1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)CC(C)(C)O1,5.19,5.361703777313233,0.21554271345119394,1698,2
OADMET-0003237,Cc1ccc(C2CC(C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1,5.38,4.986342334747315,0.13024597975925264,1697,0
OADMET-0003236,COc1ccc2nccc(N3CCCC(N4CCNC4=O)C3)c2c1,1.77,3.3737154960632325,0.07715263591327308,1696,4
OADMET-0003235,CC1Cc2cccc(S(=O)(=O)Nc3ccc(OC(F)F)cn3)c2O1,5.19,5.659310913085937,0.0941176215331775,1695,4
OADMET-0003234,CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1OCC,5.43,5.759691333770752,0.07981960478629606,144,4
OADMET-0003233,COc1cc(S(=O)(=O)N2CCCc3cccc(OC)c32)sn1,5.58,5.544666767120361,0.07126667939905452,1694,0
OADMET-0003232,O=C(N[C@H]1CC2(CCCC2)Oc2ccc(Cl)cc21)c1c[nH]nn1,4.65,5.080759334564209,0.1489833932074659,1693,1
OADMET-0003231,Cc1ccc(F)c2oc(C(=O)NCC3CCC34CCOCC4)cc12,5.48,4.808801174163818,0.04207738172028934,12,0
OADMET-0003230,CCN1CCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O,5.29,5.145658493041992,0.10537319512827535,1692,2
OADMET-0003229,CC(NS(=O)(=O)c1cccc(Cl)c1O)c1cccc(S(=O)(=O)N(C)C)c1,4.97,5.138339710235596,0.14604016875854933,1691,3
OADMET-0003228,CC1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)n1C,5.4,5.720028400421143,0.13319029666208065,586,4
OADMET-0003227,c1ccc(OCC2CN(c3nc(-c4cccnc4)nc4ccccc34)CCO2)cc1,5.21,4.603147506713867,0.0836442841613797,136,3
OADMET-0003226,O=C(c1noc2c1CCCCC2)N1CCn2cccc2C1c1ccccc1,5.77,5.350018787384033,0.057306050148055634,1690,4
OADMET-0003225,O=C(Cc1ccon1)N1CCN(c2ncnc3ccsc23)CC1,1.82,2.433503293991089,0.11670108516022479,255,3
OADMET-0003224,CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)Cc3c(C)noc3C)cc2c1C,4.12,4.9236650466918945,0.05522544361106474,1689,0
OADMET-0003223,COc1ccccc1CC(C)N(C)c1ccnc2c1c(C)nn2C,5.76,5.669499778747559,0.09188688115077322,1688,1
OADMET-0003222,CC(NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc[nH]n1,5.1,5.44792537689209,0.05404941533053395,1687,2
OADMET-0003221,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCc3cccnc31)CC2,5.74,5.471985626220703,0.08656279011999915,284,0
OADMET-0003220,CCn1c(C2CCCN2c2cc(C)nc(OC)n2)nc2ccccc21,5.01,5.361639785766601,0.10786618326600436,585,3
OADMET-0003219,CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1n[nH]c3ccccc3c1=O)C2,5.17,5.476838684082031,0.1622912606957962,1686,3
OADMET-0003218,CN(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)c2ccccc2n1,5.11,4.967855739593506,0.103642566749866,143,4
OADMET-0003217,Cn1ccnc1CN1CCC(c2c[nH]c3ccccc23)CC1,4.220000000000001,3.8863354206085203,0.12381316324450181,584,2
OADMET-0003216,COC(=O)c1cc2c(N3CC(C)c4ccc(OC)cc43)ncnc2[nH]1,1.78,3.5392295837402346,0.16203333204443776,1685,4
OADMET-0003215,O=S(=O)(Nc1cnc2c(F)cccc2c1)c1ccnn1C1CCC1,5.14,4.783256721496582,0.10496445781746332,583,1
OADMET-0003214,CCOC(=O)C1(c2cn(Cc3nn(C)c4c3CCC4)nn2)CCC1,5.66,5.324800968170166,0.0598883623321125,1684,0
OADMET-0003213,O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc2[nH]cnc2c1,1.75,2.3988170623779297,0.12539120708709905,1683,1
OADMET-0003212,C=C(C)CN(C)c1ccc(Br)c(S(=O)(=O)N2CCOCC2CC2CCOC2)n1,5.98,5.312399196624756,0.08582109608432743,1682,2
OADMET-0003211,CC(Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1,5.6,5.062978076934814,0.13041823256178622,1681,3
OADMET-0003210,Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1,5.3,5.2968213081359865,0.165712069464744,1680,4
OADMET-0003209,CCc1c(C)cccc1C(C(=O)NCC1CCOC1)N1CCC(CC(C)O)CC1,4.95,4.469693279266357,0.11802988614898476,1679,0
OADMET-0003208,CCOC1CC(N(C)CC(=O)Nc2nccs2)C12CCCCC2,5.13,4.6307295799255375,0.08167687400983849,1678,1
OADMET-0003207,CCn1ncc2c(C(=O)NC3CCCN(C)C3C)cc(C3CC3)nc21,5.67,4.741441345214843,0.095325966150542,1677,2
OADMET-0003206,O=c1[nH]nc(-c2nc(C3CCCc4ccccc43)no2)c2ccccc12,5.29,5.051058101654053,0.09807670786325143,1676,3
OADMET-0003205,CCc1nc2ccc(Cl)cn2c1C(=O)NC(C)C1(OC)CCC1,5.14,4.584085083007812,0.043614598591250164,1675,0
OADMET-0003204,Fc1cc(-c2noc(-c3cccc4[nH]ncc34)n2)ccc1Cn1cncn1,1.87,3.8373350143432616,0.04284759011452482,1674,4
OADMET-0003203,CC(NC(=O)c1cccc(F)c1CNC(=O)OC(C)(C)C)c1cccc(OC(F)F)c1,5.78,5.660148048400879,0.06663282329686421,1673,1
OADMET-0003202,O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl,4.96,4.2931262969970705,0.052746113246256957,582,0
OADMET-0003201,COc1ccccc1C(CO)NC(=O)c1ccccc1CNC(=O)OC(C)(C)C,5.71,5.375932216644287,0.15401009604907012,7,3
OADMET-0003200,CC(=O)N1CCCc2ccc(NC(=O)C(NC(=O)CC(C)C)C(C)C)cc21,5.89,5.770160388946533,0.07203940584384223,1672,0
OADMET-0003199,CC(C)(C)c1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)n1,5.78,5.6131895065307615,0.023924395053271943,1671,1
OADMET-0003198,Cc1ccc(S(=O)(=O)NCCN(C)Cc2nocc2C(C)C)cc1,5.68,5.114721393585205,0.11182339561780837,1670,2
OADMET-0003197,O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC4CCCC4)c(F)c3)cc2o1,5.02,4.913850975036621,0.07835408040365578,1669,3
OADMET-0003196,CC(Sc1nc2ccccc2s1)C(=O)NCC(C)(C)CNC(=O)c1c[nH]c(C#N)c1,5.16,4.525321102142334,0.09759077268478972,1668,4
OADMET-0003195,O=C(Nc1ccc2ncccc2c1)C1(c2nccc3ccccc23)CC1,5.22,4.9011938095092775,0.11956720895725964,278,1
OADMET-0003194,Cc1cccnc1C(NC(=O)N1CC(=O)N(CC2CC2)C1)C(C)C,5.35,4.85483570098877,0.098150635942447,1667,0
OADMET-0003193,CCc1c[nH]c2ncnc(N3CCN(C4CCS(=O)(=O)C4)CC3)c12,1.76,2.1269201278686523,0.12517701282022264,89,2
OADMET-0003192,CC(=O)N1CC(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2C)Oc2ccccc21,5.975,5.49278154373169,0.02747562315698456,1666,1
OADMET-0003191,COc1ccc2c(-c3ccccc3)c(C(=O)NC3CC(Cl)(Cl)C3)oc2c1,5.05,4.608894729614258,0.1099241575657968,581,1
OADMET-0003190,CN(c1ccccc1C(N)=O)S(=O)(=O)c1c[nH]c2cc(Cl)ccc12,5.66,5.733657646179199,0.07233919844350273,1665,2
OADMET-0003189,Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,4.71,4.997759437561035,0.1264212121927602,277,2
OADMET-0003188,Cc1c(-n2nnnc2SC2CCCN(CC(C)(C)C)C2=O)c(=O)n(-c2ccccc2)n1C,5.18,5.346651458740235,0.19024931224462618,1664,3
OADMET-0003187,CC(=O)Nc1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1,5.23,4.923016834259033,0.10907902291412004,1663,4
OADMET-0003186,O=S(=O)(N[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1)c1cnn2c1CNCC2,6.605,5.092683601379394,0.08945026149310553,1662,0
OADMET-0003185,O=C(CC1(O)CCC1)N1CCc2ccccc2[C@@H]1c1ccccc1,5.27,5.2075399398803714,0.10723224477723138,320,1
OADMET-0003184,O=C1CC2(CCc3ccccc32)C(=O)N1CCOc1ccccc1,5.15,5.405674934387207,0.060008387628086156,1661,1
OADMET-0003183,CCC(CC(=O)NCCN(C)C(=O)C(C)n1nccc1C)C1CCC1,5.4,5.30949296951294,0.14598976516019505,1660,2
OADMET-0003182,C=C1CC1C(=O)N(C)CCN(C)C(=O)c1cc2ccccc2c(OC)n1,5.11,4.928892612457275,0.1288244509013495,1659,3
OADMET-0003181,Cc1cccc(C)c1C1CCCN1C(=O)NC(c1ccccc1)C1CCOC1,5.64,5.649952697753906,0.14696254720137167,148,2
OADMET-0003180,Cc1cc2c(cc1O)CCN(C(=O)C1(c3ccc4c(c3)OCO4)CCOCC1)C2,5.27,5.5420866966247555,0.1196961037137838,1658,4
OADMET-0003179,COc1cccc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c1O,5.15,5.4299156188964846,0.07060657598093736,579,4
OADMET-0003178,CC(C)(Cc1ccc(O)cc1)C(=O)NCc1noc2ccc(F)cc12,4.81,4.56478099822998,0.08300775707346893,1657,0
OADMET-0003177,O=C(Nc1nccs1)C1CCCN1C(=O)CCc1ccccc1O,4.6,4.83298807144165,0.07294964349868328,580,0
OADMET-0003176,COCc1nccc(N(Cc2nc(C)cn2C)CC2CCCCC2)n1,4.78,4.485662841796875,0.1050525683324609,1656,1
OADMET-0003175,CC(CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)N(C)C1CC1,4.86,4.550958728790283,0.1010551256510846,1655,2
OADMET-0003174,CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC1CCN(C2CCCCC2)C1=O,5.27,5.390112781524659,0.2188373002256926,99,3
OADMET-0003173,CC1(C)CCc2sc(NC(=O)N3CC(C)(C)C3C3CCCO3)nc21,6.56,5.904879379272461,0.16863576112060613,1654,3
OADMET-0003172,OCC(Nc1nc(-c2ccccc2)ns1)c1cccc(Cl)c1F,5.46,5.355095958709716,0.12569913133506921,1653,4
OADMET-0003171,CN(CC1CN(c2nc(-c3ccccc3)c3ccccc3n2)CCO1)c1cccnn1,5.2,5.012989044189453,0.0760229304678431,1652,0
OADMET-0003170,Cc1cccc2cc(C(=O)N3CCC[C@H](N(C)C(=O)c4cnc5ccccc5c4)C3)nn12,5.54,5.107888031005859,0.05863244797727531,1651,4
OADMET-0003168,COCCOc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,5.08,4.872442054748535,0.09557473321490437,1650,3
OADMET-0003167,COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cc(C(O)C(F)(F)F)ccn1)CCC2,5.63,5.1531037330627445,0.16074016909284936,1649,2
OADMET-0003166,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3cc4n(n3)CCCO4)cc2)cc1,5.77,4.515870094299316,0.13422762447155315,576,2
OADMET-0003165,CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2nc3ccccc3s2)c1,5.74,5.446853542327881,0.14788925675248232,1648,2
OADMET-0003164,O=C(Nc1cnc2cccnn12)c1cc(C2CC2)nc2ccc(F)cc12,4.92,4.796282196044922,0.11875866067233001,579,4
OADMET-0003163,Cc1cc(Br)cc(S(=O)(=O)Nc2cccc3cc[nH]c23)c1,5.3,5.782447719573975,0.08259723452228632,578,4
OADMET-0003162,Cc1nc(NC(=O)C2CN(C)CCO2)sc1Cc1ccc(F)cc1F,5.55,4.829989624023438,0.10437582023876893,276,1
OADMET-0003161,O=S(=O)(Nc1cnc(C2CC2)nc1)c1c[nH]c2ccccc12,5.15,4.64306526184082,0.1683494209221049,577,3
OADMET-0003160,COc1cc(CNS(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)ccn1,3.89,4.273920917510987,0.09866095358134352,576,2
OADMET-0003159,O=C(Nc1cnc(C2CC2)nc1)N1CC2(CCC2)C1c1ccccc1,5.1,5.3047205924987795,0.0812188862428946,146,3
OADMET-0003158,O=C1CC2CCCC(CN1)N2C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1,6.39,4.904422187805176,0.18220851379967734,1647,3
OADMET-0003157,Cc1n[nH]c2ccc(C(=O)NCC3(Cc4ccc(F)cc4)CCCC3O)cc12,3.03,5.257341289520264,0.10594756224641412,533,3
OADMET-0003156,CC(C)(C)C1(CNC(=O)c2cccc(Br)c2Cl)CCNC1,5.015000000000001,4.642865753173828,0.1779704601648071,1646,4
OADMET-0003155,Cc1cc(C)cc(-n2nc(C(=O)NC(C)(C)CN3CCOCC3)cc2C)c1,5.75,4.468125057220459,0.08685950768380447,1645,0
OADMET-0003154,CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1csc(-c2nnc[nH]2)n1,5.6,4.694182872772217,0.09366932734213025,1644,1
OADMET-0003153,CC(C)C1CN(C(=O)c2ccc(C#N)s2)c2ccccc2N1,5.52,5.849765777587891,0.13309266409631382,1643,2
OADMET-0003152,Cc1cnc(C(=O)NC2CCc3ccccc3-n3ccnc32)c(C)c1,5.29,4.62070894241333,0.16195351837850366,1642,3
OADMET-0003151,CCc1cnc(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1,5.63,4.5115386009216305,0.07670211485796181,275,0
OADMET-0003150,Cn1cc(C(=O)NCCc2ccc3ccccc3n2)c(-c2cc(F)ccc2F)n1,4.86,4.851863765716553,0.09732309221161194,1641,4
OADMET-0003149,Cc1cc(-c2noc(C3CCCN3S(=O)(=O)c3cccs3)n2)ccc1O,5.74,5.081322956085205,0.10632142599228633,1640,0
OADMET-0003148,COCCN(C(=O)C1CCC1c1ccc(F)cc1)C1CCCc2cccnc21,5.66,5.243539047241211,0.036663065409140515,1639,1
OADMET-0003147,Cc1c[nH]c2nccc(-c3ccc4c(c3)C(=O)NCCO4)c12,1.74,2.156147861480713,0.020450314081243294,554,1
OADMET-0003146,O=C1NCc2c(NCc3ccc(C4CCCC4)cc3)cccc21,3.64,5.340787029266357,0.045960933883236264,1638,1
OADMET-0003145,CCc1c[nH]c2ncnc(N3CCc4c(CC(N)=O)cccc4C3)c12,3.29,2.837650442123413,0.12984770520209427,89,2
OADMET-0003144,COc1ccc2c(c1)CCCC2Cn1c(=O)[nH]c2cccnc2c1=O,5.11,4.279286003112793,0.1154047033433405,1637,3
OADMET-0003143,CC(CNC(=O)c1ccccc1Cn1cc(-c2cccc(Cl)c2)nn1)C(=O)OC(C)(C)C,5.68,5.930619239807129,0.11343356173813708,1636,4
OADMET-0003142,Brc1ccccc1C1CCCN1c1ncnc2[nH]ncc12,5.66,4.198456478118897,0.11428257711329151,1635,0
OADMET-0003141,COC1(CNC(=O)c2nnc(C(C)(C)C)o2)CCCCCC1,5.69,4.7471973419189455,0.13343815797379083,1634,1
OADMET-0003140,NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1,1.84,3.64753794670105,0.08862567563970683,1633,2
OADMET-0003139,O=C(C1CCCc2cccnc21)N1CC(O)(c2ccc(Br)cc2)C1,5.25,4.922481918334961,0.0991857814654534,268,1
OADMET-0003138,Cn1ccc2c(C(=O)NCC3CSCCN3C(=O)c3cccc4c3ccn4C)cccc21,5.47,4.897828865051269,0.08488368645309223,1632,3
OADMET-0003137,CC(C)(C)c1nn(CC(=O)N2CCCC2c2ccccc2)c(=O)o1,5.28,5.549729633331299,0.13362512797301704,575,2
OADMET-0003136,CCN(Cc1ccccc1Cl)C(=O)c1ccccc1OCC(=O)N(C)C,5.12,5.375087070465088,0.07811454612588009,1631,4
OADMET-0003135,COc1ccccc1CC(C)(C)NS(=O)(=O)c1cnc(N)c(C)c1,5.54,5.44368896484375,0.08441497038781003,1630,0
OADMET-0003134,Cn1cnc2cc(C(=O)Nc3cnn(-c4ccccc4)c3)ccc21,5.09,3.5663730621337892,0.0866829829776721,203,4
OADMET-0003133,CCc1nnnn1-c1ccccc1NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1,6.22,5.218545818328858,0.038734266229521794,1629,1
OADMET-0003132,COc1ccc(OC)c(C2CCCN2c2nc(C)cc(C#N)n2)c1,4.62,5.342134094238281,0.08652441631070529,304,1
OADMET-0003131,Cc1nnc(-c2cccc(-c3noc(C4CC(=O)N(c5ccc6c(c5)CCC6)C4)n3)c2)[nH]1,5.11,4.181232929229736,0.08585928684047256,1628,0
OADMET-0003130,CCc1nc(S(=O)(=O)N(CC#N)c2ccc(F)cc2C)cn1CC1CC1,5.56,5.373045349121094,0.07437903320631123,1627,1
OADMET-0003129,Cc1n[nH]c2ccc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)cc12,2.87,2.605298900604248,0.08161318333036914,574,3
OADMET-0003128,CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3OCC2C)cc1C#N,4.859999999999999,4.359414386749267,0.10969150705245492,309,0
OADMET-0003127,O=S(=O)(c1cccc(NCc2ccco2)n1)N1CCCC2CC21,5.44,5.683049964904785,0.1336964990690675,1626,2
OADMET-0003126,COc1ccc(C(NC(=O)N2CCC3(C2)C(=O)Nc2ccccc23)c2ccc(C)cc2)cc1,5.2,4.593412780761719,0.12298528055434808,1625,0
OADMET-0003125,COc1cc(NC(=O)C(C)c2c(F)cccc2F)cnc1OC,4.91,4.764927005767822,0.09490619015579249,1624,2
OADMET-0003124,O=C(N[C@]12CC[C@H](C[C@@H]1n1cc(-c3ccc4c(c3)CCC4)nn1)C2)c1cnc2cn[nH]c2c1,5.99,5.348709487915039,0.14582360580142567,1623,3
OADMET-0003123,CCC(Oc1ccccc1C)C(=O)N1CCC(c2ncccn2)C1,5.17,4.95553503036499,0.10626324604553945,1622,4
OADMET-0003122,COc1cc(OC)cc(C(=O)N(C)Cc2cccc(C)c2)c1,5.37,4.926137828826905,0.07076493318080343,573,4
OADMET-0003121,CN(C)Cc1cc(C(=O)NC(CC2CC2)c2cc(F)cc(Br)c2)no1,5.43,4.953649711608887,0.10292742217693719,1621,0
OADMET-0003120,O=C1CCCN1Cc1ccccc1NCc1cnc(-c2ccsc2)s1,5.37,6.049895095825195,0.08301107309413838,1620,1
OADMET-0003119,CCOc1ccccc1CCC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,5.17,3.7069121837615966,0.07576053988850918,1619,2
OADMET-0003118,COc1cc(OC)c(S(=O)(=O)n2nc(C)cc2C)cc1S(=O)(=O)n1nc(C)cc1C,6.3100000000000005,5.886919689178467,0.19778539335691475,1618,3
OADMET-0003117,COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1,5.08,5.685943698883056,0.1517761164804646,142,3
OADMET-0003116,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1,5.19,5.132226753234863,0.08577976057959084,1617,4
OADMET-0003114,CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccsc3)cc21,5.13,4.942382907867431,0.07112714398497877,1616,0
OADMET-0003113,Cc1cc(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc12,5.62,4.713281440734863,0.08809247485185541,1615,1
OADMET-0003112,O=S(=O)(c1cncc(F)c1)N1CC(c2ccccc2)C2(CCC2)C1,5.54,5.057308959960937,0.094550647320186,559,3
OADMET-0003111,N#Cc1cc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)cnc1C(F)(F)F,5.71,5.403160190582275,0.170889802475743,1614,2
OADMET-0003110,O=C(NCc1ccc(O)c(Cl)c1)C1(c2ccccc2)CCCO1,5.45,4.389726161956787,0.06728875520415149,333,1
OADMET-0003109,O=C(NCC1(Cc2ccccc2)CCC1)c1cccc2cn[nH]c12,5.64,5.371337509155273,0.018886348751140463,572,0
OADMET-0003108,CC1(c2ccccc2C(=O)N2CCOC3(CCS(=O)(=O)C3)C2)CC1,5.15,5.004710865020752,0.1189609122855982,1613,3
OADMET-0003107,COC(=O)c1cnn(C)c1NC(=O)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1,5.48,5.517012691497802,0.08952049838085757,1612,4
OADMET-0003106,CC1(C)CC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)c2ccc(F)cc2O1,5.43,4.861755275726319,0.12227853327071488,74,3
OADMET-0003105,O=S(=O)(c1ccc(CNC2(Cc3ccc(F)cc3)CCOCC2)o1)N1CCCC1,5.5,5.248102760314941,0.05991341204339359,1611,0
OADMET-0003104,CCc1cccnc1C(=O)NCc1cc2ccccc2n(C)c1=O,5.46,4.736560916900634,0.08003113890814109,378,1
OADMET-0003103,O=C(NCC1(Cc2ccccc2)CCCCC1)C1CCCc2[nH]nnc21,5.22,5.238983154296875,0.03632911355116415,572,0
OADMET-0003102,CC(C)c1c(C(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1ccccc1Cl,5.82,5.149554634094239,0.06171603399288539,1610,1
OADMET-0003101,Cc1cccc2oc(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cc12,5.61,4.825253582000732,0.0602133273495145,274,3
OADMET-0003100,CCc1ncnc(NC(c2ccc(OC)cc2)c2nccn2C)c1F,4.99,4.5996472358703615,0.12765220150557377,1609,2
OADMET-0003099,CC(C)C(=O)Nc1nc(CC(=O)N2CCCN(C)c3cc(F)ccc32)cs1,5.7,5.51876277923584,0.09039493999384383,1608,3
OADMET-0003098,CCC1(CC)CNC(=O)C1NC(=O)CCOc1ccccc1F,5.14,5.004751777648925,0.07008067144689896,1607,4
OADMET-0003097,CCOc1ccc(OCC)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1,5.9,5.227288722991943,0.10378789765665715,142,3
OADMET-0003095,O=C(Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1)C1CC1,4.77,4.112719964981079,0.12542977550758277,571,0
OADMET-0003094,COC(C)(C(=O)O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1,5.02,3.6284350395202636,0.15395661084269388,1606,0
OADMET-0003093,O=C(NCCC1C(=O)Nc2ccccc21)c1cc2c(s1)CCCCC2,4.76,5.161606311798096,0.07506766074221932,1605,1
OADMET-0003092,Cc1ccc(S(=O)(=O)NCCC(=O)N2CCNC(=O)C2)cc1C,3.69,3.9835751056671143,0.18920790228322762,1604,4
OADMET-0003090,CC(NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NCc1ccco1,4.86,5.130127620697022,0.12349638762426299,1603,3
OADMET-0003089,O=C(Cn1c(=O)oc2ccc(F)cc21)N1CCC(C(=O)N2CCCC2)CC1,2.08,3.9193264484405517,0.030196920053610063,539,4
OADMET-0003088,CC12CC(NC(=O)N1Cc1cccc(F)c1)c1ccccc1O2,6.14,5.468714618682862,0.15344997751654915,1602,3
OADMET-0003087,Cc1ccc2nc(NC(=O)N3CCc4cn[nH]c4C3)sc2n1,3.13,2.6371202945709227,0.1511227804298762,570,1
OADMET-0003086,CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccnn1C1CCC1,2.01,3.678627443313599,0.0950850416476051,1601,4
OADMET-0003085,Cn1cnc2c1CCN(C(=O)c1nc(-c3cccs3)n(-c3ccccc3)n1)C2,4.21,4.906291675567627,0.08389206664249683,569,2
OADMET-0003084,Cc1ccc2c(c1)CN(C(=O)Nc1cc(C)n(C(C)C)n1)CCO2,5.42,4.799948501586914,0.07039025079321756,1600,0
OADMET-0003083,Cc1ccc(-n2[nH]c(C(=O)NC(C)(C)C(C)(C)O)cc2=O)cc1,1.76,2.9946298122406008,0.11990652045458339,1599,1
OADMET-0003082,c1cnc2ccc(CNc3ncnc4sccc34)cc2c1,1.77,2.6875627994537354,0.1538941993988906,568,4
OADMET-0003081,Cc1cccc(-c2noc(C3CN(C)C(=O)c4ccccc43)n2)c1,5.59,4.738490295410156,0.04848329251112555,390,0
OADMET-0003080,Cc1c(C(C)C)n[nH]c1NC(=O)C(C)(C)Nc1ccccc1,4.89,4.640062427520752,0.1822880077527484,1598,2
OADMET-0003079,Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)nn1,2.88,4.462239837646484,0.15806653403093388,1597,3
OADMET-0003078,CCOc1cccnc1N1CCN(c2nc(C)cc(C)n2)CC1,5.28,5.058324241638184,0.10450315878975765,567,1
OADMET-0003077,CC(C)C(NC(=O)c1cc(C(F)F)n(C)n1)c1nnc2ccccn12,4.32,4.781085014343262,0.11110364169593621,1596,4
OADMET-0003076,CCOC(=O)[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2nc[nH]c(=O)c12,3.86,3.0805747509002686,0.2617350172968925,1595,0
OADMET-0003075,Nc1nccc(C2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)C2)n1,4.99,4.5690408706665036,0.1508519960537792,305,3
OADMET-0003073,CC(CO)(CNc1ncnc2sccc12)Cc1cccs1,3.14,3.393421459197998,0.1109429123143956,1594,1
OADMET-0003071,c1cc(C2(c3noc(Cc4cnn5c4CCCC5)n3)CCC2)ccn1,5.59,4.557465648651123,0.1067287107444358,1593,2
OADMET-0003070,CN(C)c1cncc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1,5.25,4.750447559356689,0.17643280082371798,1592,3
OADMET-0003069,OCC(Nc1ncnc2c1oc1ccccc12)c1c(F)cccc1F,5.7,5.01459846496582,0.10096152822794247,1591,4
OADMET-0003068,O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1,5.41,5.2365693092346195,0.08846869719797039,157,1
OADMET-0003067,CC(C)(C)OC(=O)NC(c1nc(Cc2cccnc2)no1)C1CCC1,5.21,4.853559780120849,0.10470586264733242,103,3
OADMET-0003066,CCCN1Cc2cccc(NS(=O)(=O)c3ccc(OC)c(F)c3C)c2C1,5.07,5.14555082321167,0.11545053459306348,1590,0
OADMET-0003065,Cc1ccc(F)c(Br)c1C(=O)NCC(C)(C)C1CCOCC1,5.14,4.646343135833741,0.11820726958993943,566,0
OADMET-0003064,Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(C#N)n1C,5.32,4.629212951660156,0.07267723360234285,1589,1
OADMET-0003063,O=C(NCc1nnc(C2CC2)o1)c1noc2c1CCc1ccccc1-2,5.11,4.475572872161865,0.05867912413244199,1588,2
OADMET-0003062,Cc1cnc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)c(C)c1,4.84,4.901322078704834,0.11818759689937162,1587,3
OADMET-0003061,Cc1c(CN(C)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cnn1C,4.94,5.106108665466309,0.03675885632743525,1586,4
OADMET-0003060,CCc1ccc(NCc2nc(C)c(C)s2)cc1S(N)(=O)=O,5.45,5.231113910675049,0.10826463832075492,1585,0
OADMET-0003059,Cc1ccc2[nH]c(C(=O)N3CCNC(=O)C3c3ccccc3F)cc2c1,5.17,4.561918449401856,0.09256272264766162,31,3
OADMET-0003057,CC(C)c1nccc(N2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)n1,2.1,3.6805814266204835,0.1325343167741779,1584,1
OADMET-0003056,NC(=O)c1cccc(NC(=O)NCC2C3CC4CC(C3)CC2C4)c1,4.94,4.916988945007324,0.09455756492206364,1583,2
OADMET-0003055,Cc1cc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)cnc1C,5.63,5.421905994415283,0.11665587759345251,273,2
OADMET-0003054,O=c1[nH]c(-c2ccncn2)nc2sc(-c3ccccc3)cc12,3.63,4.2451495170593265,0.0676962751511179,1582,2
OADMET-0003053,O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2CCC(O)C2C1,4.87,5.029868793487549,0.15990068042591335,1581,4
OADMET-0003052,CC(C)(NS(C)(=O)=O)c1cn(-c2cc(Cl)cc(Cl)c2)nn1,4.84,4.529046249389649,0.08187899136417091,565,1
OADMET-0003051,COc1ccc(NC(=O)NC(C)c2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1,5.21,5.252294254302979,0.033164687039125694,564,1
OADMET-0003050,c1cc(N2CCCC2)ncc1-c1nc(-c2cn(C3CC3)nn2)cs1,3.8,4.585075759887696,0.13222252268726553,1580,4
OADMET-0003049,COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cc(O)c3ccsc3c2)o1,5.18,5.192077350616455,0.17503333389810777,1579,3
OADMET-0003048,CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3C)CCC1)C2,6.46,5.556534004211426,0.0996958430067746,1578,3
OADMET-0003047,C=CCn1c(SCC(=O)NCc2ccco2)nc2scc(-c3ccc(C)cc3)c2c1=O,5.03,4.676863193511963,0.09242198017646186,1577,4
OADMET-0003046,O=C(c1ccc2c(c1)CCCN2)N1CCCCC1C(F)F,5.355,5.167960929870605,0.15886914789043047,1576,0
OADMET-0003045,COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,5.22,5.161069583892822,0.12053393682465309,563,0
OADMET-0003044,COc1cc(Cl)ccc1S(=O)(=O)NC(C)c1nc2ccccc2n1C(F)F,5.59,5.5843836784362795,0.05242189833109654,546,0
OADMET-0003043,COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(C)C,6.34,5.863213920593262,0.12211301585918669,563,0
OADMET-0003042,Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cs1,5.0,4.391973495483398,0.12054797474761694,562,2
OADMET-0003041,CC(C)CCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,5.36,5.355180072784424,0.05248191218051289,561,3
OADMET-0003040,Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1,5.04,4.568952751159668,0.06012183501415426,1575,1
OADMET-0003039,CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1,5.42,4.575416851043701,0.09858813065685663,1574,2
OADMET-0003038,O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2F)cc1,4.87,5.129613304138184,0.13664673655773915,1573,3
OADMET-0003037,N#Cc1c(NC(=O)c2cccc(F)c2Cl)n(CCc2ccccc2)c2nc3ccccc3nc12,5.58,5.316738128662109,0.07567234222029254,1572,4
OADMET-0003036,COc1ccc(-n2c(SCc3cc(C)no3)nc3ccccc3c2=O)cc1,5.11,4.645285987854004,0.08345960838475143,1571,0
OADMET-0003035,COc1ccc(OCC(=O)NCC2c3ccccc3C(=O)N2C)cc1,5.27,4.594659996032715,0.09338287224925328,123,4
OADMET-0003034,O=C(Nc1cccc(N2CCNC2=O)c1)N1Cc2ccccc2C(c2ccccc2)C1,5.22,4.63980655670166,0.1752539510057328,538,3
OADMET-0003033,CC(C)c1ccccc1NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C,5.16,5.701795959472657,0.11591197436165278,1570,1
OADMET-0003032,COc1cc(Cl)ccc1NC(=O)c1cccc(Nc2cnccn2)c1,4.31,4.505067253112793,0.14187371173483276,560,2
OADMET-0003031,CC(NC(=O)CC(C)(C)C)C(=O)NCC1CCN(c2ccc(F)c(F)c2)C1,4.99,5.1202898025512695,0.1856185149756597,1569,2
OADMET-0003030,Cc1ccc(C)c(NC(=O)C(c2ccccc2)N2CCC(c3nnc4ccccn34)CC2)c1,5.04,4.892880153656006,0.1425688785167671,1568,3
OADMET-0003029,Cc1scc(C(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCCC3)c1C,5.44,5.6731267929077145,0.15449302999994927,1567,4
OADMET-0003028,CC(NC(=O)N1CC(O)CC1C1CC1)c1cccc2cccnc12,5.22,5.3005143165588375,0.13255310853564758,1566,0
OADMET-0003027,CC(C)(C)c1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1,4.98,5.243376636505127,0.11743977774189565,1565,1
OADMET-0003026,CC(C)(C)OC(=O)NC1CCCC2CN(C(=O)C3(Cc4ccccc4)CC3)CC21,5.8,5.763548278808594,0.11651807421517694,1564,2
OADMET-0003025,O=c1c2ccccc2n2c(SCC3CC3)nnc2n1Cc1ccccc1,5.6,5.309440612792969,0.12768167013482412,1563,3
OADMET-0003024,CC1(C)CC(NC(=O)CCn2cnc3ccccc3c2=O)c2ccc(F)cc2O1,5.09,4.683034420013428,0.1449306945137502,74,3
OADMET-0003023,COc1ccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1Cl,4.88,4.738200378417969,0.05469836015819922,1562,4
OADMET-0003022,CC1(C)CCN(c2nccnc2S(N)(=O)=O)CC1c1ccccc1,5.19,5.724398899078369,0.15572570457981827,1561,0
OADMET-0003021,CCC(C)NC(=O)c1ccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1,5.53,5.224254131317139,0.09321594754419017,1560,1
OADMET-0003020,COc1ccc(C(CC(=O)N2CCC(C)C3(CCC3)C2)NC(C)=O)cc1,5.28,5.473178768157959,0.10379038165607118,1559,2
OADMET-0003019,C[C@H]1[C@H]2CN(S(=O)(=O)c3csc4ccccc34)[C@]1(C(=O)O)C2,4.63,4.313092422485352,0.16134112244617227,1558,1
OADMET-0003018,CC(COCC1CCCCC1)NC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F,4.65,4.691346549987793,0.08861681853848236,1557,0
OADMET-0003017,CC(CC(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1)C1CCCCC1,6.205,3.9939953804016115,0.08384053576828202,1556,4
OADMET-0003016,O=C(NC1CCCOc2cc(F)ccc21)c1ccc(N2CCCC2=O)cc1,4.75,5.303308200836182,0.07621999916609891,60,4
OADMET-0003015,COCC1(c2noc(-c3cccc(C)c3O)n2)CCCCO1,4.91,4.798310375213623,0.10094553880089585,1555,4
OADMET-0003014,CC(Nc1ncnc2sc3c(c12)CCC3)c1ncccn1,5.24,3.678805637359619,0.17520700158166044,1554,0
OADMET-0003013,Cc1ccc(CNC(=O)Nc2nnc(-c3ccccn3)s2)c(OC(C)C)c1,4.78,5.33640718460083,0.06993451812918812,1553,1
OADMET-0003012,CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNS(=O)(=O)CCn1cccn1,4.78,3.99151291847229,0.09810821748030588,1552,2
OADMET-0003011,CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(C(F)(F)F)c1,5.72,5.529068660736084,0.10145496429394885,1551,3
OADMET-0003010,Cc1onc(N)c1S(=O)(=O)N1CC(c2ccccc2)C2(CCC2)C1,5.63,5.340199756622314,0.07767802406097521,559,3
OADMET-0003009,O=C(NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C1C2CCCCC21,4.94,4.7664563179016115,0.14398490975271325,1550,4
OADMET-0003008,COc1ccccc1C1(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)CCC1,5.27,5.900314903259277,0.060186080564183626,62,4
OADMET-0003007,CC(C)n1ncc2cc(NS(=O)(=O)c3cncc(Cl)c3)cnc21,4.6,4.849300765991211,0.07150383320462113,1549,0
OADMET-0003006,CC(NS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCOC1,5.15,5.079766273498535,0.07296018779476549,1548,1
OADMET-0003005,Cc1cccc(N2CC(C(=O)N(C)c3ccc(Cl)cn3)CC2=O)c1C,5.17,4.711338520050049,0.09778465137187495,1547,2
OADMET-0003004,O=C(NCc1ccccc1-c1ccncc1)C(O)c1cccc(C(F)(F)F)c1,5.16,4.68640546798706,0.17100642285425327,1546,3
OADMET-0003003,O=C1CNC(=O)c2ccc(C(=O)N3CC4CCCCC43c3ccccc3)cc2N1,5.23,5.365056705474854,0.1412204915023803,1545,3
OADMET-0003002,Cn1nc(CNC(=O)Nc2cccnc2-c2ccccc2)cc1C1CC1,5.38,4.835794448852539,0.07996696605194663,272,0
OADMET-0003001,O=C(NCC(c1cccc(Cl)c1)N1CCOCC1)c1cccc2c1CCC2,5.46,5.437470436096191,0.12289954319564618,558,0
OADMET-0003000,C=C1CCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1,4.69,4.680599784851074,0.08855911201694093,1544,0
OADMET-0002999,CC(C(=O)NCC1CC(=O)N(Cc2ccccc2)C1)c1cn(C)c2ccccc12,5.11,4.974656963348389,0.06912925009136764,510,3
OADMET-0002998,CCn1cccc(NC(=O)N2CCCC(C(C)C)CC2)c1=O,5.28,5.733379268646241,0.17513516175815044,557,1
OADMET-0002997,OCC1(NCc2cc(O)cc(Cl)c2)CCCc2ccccc21,5.25,4.97984561920166,0.1230982622664383,1543,1
OADMET-0002996,O=C(Cc1ccc2[nH]ncc2c1)NCC[C@H]1CCCC[C@H]1O,3.65,4.11224775314331,0.1679797734251718,1542,2
OADMET-0002995,O=C(c1ccccc1)N1CCC(C(=O)N2CCCc3n[nH]cc32)CC1,3.43,3.8039427757263184,0.250776212984339,1541,3
OADMET-0002994,CC(C(=O)NC(C)(C)C(=O)Nc1ccccc1)c1ccccc1F,4.73,4.847312927246094,0.09998181010752061,1540,4
OADMET-0002993,Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccc1O,5.06,4.859930610656738,0.08316191349348175,104,1
OADMET-0002992,CC1(C(=O)Nc2ccc3c(c2)NC(=O)CCC3)CCc2ccccc2C1,6.02,5.243534755706787,0.10924544301043013,1539,0
OADMET-0002991,CCC(NC(=O)c1ccc(CO)cc1OC)C1Cc2ccccc2C1,5.15,4.990640544891358,0.07893036734827377,1538,1
OADMET-0002990,CC(=O)N1CS(=O)(=O)CC1C(=O)Nc1ccc(Cl)cc1C,3.35,3.5576117992401124,0.0611280528560072,1537,2
OADMET-0002989,O=C(CCC1CCNCC1)Nc1ccc(-n2ccnc2)cc1,3.16,2.1265139102935793,0.12563778876477244,1536,3
OADMET-0002988,COC(=O)CC1CN(C(=O)c2cc(C(F)(F)F)ccn2)c2ccccc21,5.18,5.115821456909179,0.1174920011872581,1535,2
OADMET-0002987,Cc1conc1CS(=O)(=O)NC(C)c1oc2ccccc2c1C,5.61,5.108600711822509,0.08014094338515367,1534,3
OADMET-0002986,Cn1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O,4.6,4.6564915657043455,0.10593551043818586,1533,4
OADMET-0002985,O=C(Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1Br,5.105,4.899606609344483,0.13568198143579285,1532,2
OADMET-0002984,Cc1c(C(=O)NCc2coc3ccccc23)cnn1C(C)C,5.09,4.618601989746094,0.05000224275472204,1531,4
OADMET-0002983,C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cccnc2)CC1,4.95,4.474309635162354,0.09774510049802862,1530,0
OADMET-0002982,Cc1c(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)nnn1-c1cccc2cccnc12,5.31,4.596904277801514,0.12413653181348935,1529,1
OADMET-0002981,CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O,5.97,5.656199550628662,0.11676413215545872,1528,2
OADMET-0002980,Cn1cc(C(=O)NC(CO)c2ccccc2C(F)(F)F)n(C)c1=O,3.17,4.307938766479492,0.15693210761530382,556,2
OADMET-0002979,Cc1cc(-c2cc(C(=O)NCc3ccnc(-n4cccn4)c3)c3c(C)noc3n2)c(C)s1,5.59,4.96217155456543,0.09919467780294151,1527,3
OADMET-0002978,CCn1c(-c2cc3c(s2)CCC(C)C3)nnc1N1CCCN(C(C)=O)CC1,5.11,5.628496265411377,0.03114342199155778,1526,4
OADMET-0002977,CN(CC1CC1)S(=O)(=O)Nc1ccc(F)cc1OCC(F)F,5.02,5.071492671966553,0.1110708185617419,1525,0
OADMET-0002976,COC(=O)c1cc(S(=O)(=O)N(CCC2CC2)CC2CC2)n(C)c1,4.93,4.617160320281982,0.10688565507928603,1524,1
OADMET-0002975,O=C(NCCc1cccc(Cl)c1)N1CCCC2(CCC2)C1,5.71,5.687289810180664,0.133693475531995,1523,2
OADMET-0002974,O=C(Cc1ccc(Br)cc1F)NCCCNc1ccccn1,4.755,4.2472984313964846,0.13206215893884113,1522,3
OADMET-0002973,OC[C@H]1CN(c2nsc(C3CC3)n2)C[C@@H]1c1ccccc1,5.55,4.9476522445678714,0.09450682781172824,1521,4
OADMET-0002972,CN(C)c1cc(C#N)cc(C(=O)N2CCC3C(CCCN3C3CC3)C2)c1,5.26,4.374484252929688,0.13158212522280024,1520,0
OADMET-0002971,CC1C(=O)N(Cc2noc(C(C)(C)C)n2)C(=O)c2ccccc21,5.79,5.015616703033447,0.06513103084921018,530,1
OADMET-0002970,CCCOc1ccc(Cl)cc1NC(C)c1nc(C(C)C)no1,5.28,5.433808040618897,0.08164418345810365,1519,1
OADMET-0002969,Cc1cc(C)n(CCCC(=O)N2CCCC2c2ccco2)n1,5.08,5.026287269592285,0.0905752056513429,141,2
OADMET-0002968,CC1(CO)CCCN1C(=O)c1cccc(COc2cccc(F)c2)c1,5.32,5.317943668365478,0.17350489148480108,1518,2
OADMET-0002967,O=S(=O)(Cc1ccno1)NC(c1ccc(Cl)cc1)C1CCC1,4.83,5.067992687225342,0.06609062187612183,1517,3
OADMET-0002966,CON(C)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1,4.96,4.831820678710938,0.07152333649099148,1516,4
OADMET-0002965,CC(Nc1ncnc2nc(N3CCOCC3)sc12)c1cc(F)ccc1N1CCC(O)CC1,5.01,4.074236679077148,0.08804596448809932,1515,0
OADMET-0002964,COc1ccc(F)cc1C(=O)NC1CCN(c2ncccc2Cl)C1,5.404999999999999,4.447787094116211,0.08341497347829266,100,2
OADMET-0002963,C=CCC1(NC(=O)c2nn[nH]c2-c2ccccc2)CCOCC1,4.74,4.687068271636963,0.07887336813624228,1514,1
OADMET-0002962,CCN(Cc1nnc(-c2ccccc2OC)o1)c1cccc2ccccc12,5.88,5.321299648284912,0.07097698469731367,1513,2
OADMET-0002961,Cc1ccc(C(C)(C)CNC(=O)c2ccn(C)c2-c2ccccc2)nc1,5.71,5.061019229888916,0.10440262074814884,555,1
OADMET-0002960,O=C(Nc1ccc(F)cc1)C1CCc2ccccc2N1C(=O)C1CCN(c2ncccn2)CC1,5.11,4.613609695434571,0.1310689286002307,1512,3
OADMET-0002959,CC(C)C(O)Cc1ccccc1-c1ccc2c(c1)C(=O)NCCO2,4.94,4.557949733734131,0.15442643329415906,554,1
OADMET-0002958,CC(C)(C)c1cc2n(n1)CCN(C(=O)c1nccc3ccccc13)C2,5.35,4.912554836273193,0.12159792973022444,1511,1
OADMET-0002957,C[C@H]1OCCO[C@H]1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1,5.12,5.1390176773071286,0.14028408259605107,553,0
OADMET-0002955,O=C(CCc1ccccc1N1CCOCC1)N1CCCCCC1CO,5.53,5.183076000213623,0.08018027096338227,552,4
OADMET-0002954,CCCN1CCCN(C(=O)c2ccccc2NC)CC1=O,5.12,4.537360572814942,0.10570415261586222,1510,0
OADMET-0002953,CCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1S(N)(=O)=O,5.25,5.84072904586792,0.09072795000574622,551,4
OADMET-0002952,Cc1c[nH]nc1C(=O)N1CCCC1(C)Cc1ccc(OC(F)(F)F)cc1,5.64,4.947226333618164,0.09743305620864566,548,1
OADMET-0002951,CC1CCCC(C(=O)N2CCCC(N(C)CC(=O)O)CC2)C1,3.25,4.0716204166412355,0.17999836579738768,1509,0
OADMET-0002950,CCN(C(C)Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1-c1ccno1,5.800000000000001,5.356072521209716,0.05410456048954822,1508,1
OADMET-0002949,CCn1nc(NC(=O)N(CC2CCCCC2)C2CC2)cc1C1CC1,4.97,5.963111305236817,0.053489320957565784,1507,2
OADMET-0002948,O=C(COc1ccccc1)NC1CCN(c2ccccc2)C1,4.64,4.243943214416504,0.1258573534565079,25,2
OADMET-0002947,Cc1nnnn1-c1cccc(NC(=O)c2ccnn2C)c1,3.34,2.868073034286499,0.08635285460923099,110,4
OADMET-0002946,Cc1ccc2cccc(S(=O)(=O)N3CCC=C(c4cnn(C)c4)C3)c2n1,5.915,4.708213806152344,0.06490201726076848,1506,3
OADMET-0002945,Cn1cc(N2CC(C(=O)N3CC(=O)N(C4CC4)C3)CCC2=O)cn1,2.68,2.444262170791626,0.08581598090397877,1505,4
OADMET-0002944,COc1ccccc1S(=O)(=O)N(C)C(C)Cc1cccc(F)c1,6.04,5.785740947723388,0.15015365399638717,1504,0
OADMET-0002943,CC(c1nnnn1C1CC1)N1CCCC(Nc2ccccc2)C1,5.16,4.981236457824707,0.2017801009711995,550,3
OADMET-0002942,O=C(NC1CCOC2(CCCCC2)C1)c1ccc2c(n1)CCCC2,5.37,5.0257831573486325,0.15883232556214824,1503,1
OADMET-0002941,O=S(=O)(c1ccc2c(c1)OCO2)N(CC1CC1)CC1CC1,5.51,5.540087604522705,0.14572628215973554,549,2
OADMET-0002940,CC1(C)CN(C(=O)NC2CCCC2CNS(C)(=O)=O)CCc2ccccc21,5.05,5.374272346496582,0.11669197142198023,1502,2
OADMET-0002939,CC1(C)CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)[C@H]2CCC[C@H]21,5.17,5.168193721771241,0.14061632665374493,1501,3
OADMET-0002938,COc1cccc(-c2cc(CNC(=O)[C@H]3OC[C@H]4CCC[C@H]43)on2)c1,4.6,4.472286701202393,0.11236288383950803,1500,4
OADMET-0002937,CSCC(C)(O)CNc1ncccc1S(=O)(=O)NCC1CC1,4.85,4.226255321502686,0.24255931909836564,1499,0
OADMET-0002936,CN(C)c1noc(C2CCCN(c3ncnc4sccc34)C2)n1,4.64,3.5632134914398192,0.19128324389701892,1498,1
OADMET-0002935,O=C(NCc1csc2ccccc12)c1cc(C2CC2)[nH]n1,5.28,5.192153739929199,0.10368469311534716,1497,2
OADMET-0002934,CN(C1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccs1,4.9,5.258803749084473,0.13867246003245542,1496,3
OADMET-0002933,CC1CCOCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1,5.26,4.781242847442627,0.1045178113386933,40,1
OADMET-0002932,N#Cc1ccc2c(c1)N(C(=O)C(C1CCC1)C1CCC1)CC(=O)N2,5.17,5.0620519638061525,0.09871671848387624,1495,4
OADMET-0002930,CC1(Cc2ccc(F)cc2)CCCN1C(=O)COc1cccnc1,5.53,5.14970178604126,0.051976662119316334,548,1
OADMET-0002929,O=C(Nc1cc2n(n1)CCCC2)N1CCN(c2ncnc3sccc23)CC1,3.1,3.5958149433135986,0.07916202619896397,547,0
OADMET-0002928,CNc1ccccc1C(=O)NCc1ccn(C2CCCC2)n1,5.54,4.6878993034362795,0.08865188199634426,271,4
OADMET-0002927,COc1cccc(C(NC(=O)CC2(CSC)CC2)c2nccn2C)c1,5.1,5.3048807144165036,0.09722707117201028,179,2
OADMET-0002926,CCc1ccc(C2CCCCN2C(=O)c2cc(C(F)F)ncn2)o1,4.87,4.875115299224854,0.11030136339698471,1494,0
OADMET-0002925,Cn1c(=O)c2cc(C(=O)N3CCCC(n4ccnn4)C3)cnc2n(C)c1=O,3.58,3.045888328552246,0.03990245044914843,39,2
OADMET-0002924,CCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1,3.78,3.6886710643768312,0.07797192387398269,1493,1
OADMET-0002923,CN(C)c1ncccc1CNC(=O)NC1(c2ccccc2)CC1(C)C,5.27,5.434465789794922,0.14707196876865464,1492,2
OADMET-0002922,Cc1noc(C)c1C(=O)NC1CCN(c2ccccc2C(F)(F)F)C1,5.42,4.607824039459229,0.06877215465678924,65,4
OADMET-0002921,CC(NCc1nc2ccccc2n1C(F)F)c1nc2ccccc2n1C(F)F,5.79,5.5452954292297365,0.08552926833267831,546,0
OADMET-0002920,CC1(C)COc2c(C(=O)N3CCCC(n4ccnn4)C3)cccc21,5.2,5.531271934509277,0.060658000250582586,39,2
OADMET-0002919,Cc1ccccc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1,4.85,4.841370296478272,0.13296747497010325,9,2
OADMET-0002918,Cc1ccc(C)c(NC(=O)N2CCCC3(CCOC3)C2)c1,4.8,5.2312544822692875,0.11668654818321939,140,0
OADMET-0002917,Cn1cc(-c2ccc(F)c(C(=O)NCC[C@H]3CCCC[C@H]3O)c2)cn1,3.95,3.9940542697906496,0.08419893565312407,270,2
OADMET-0002916,Cc1cc(C)n(CCCC(=O)N2CCO[C@H]3COCC[C@H]32)n1,5.22,3.651740837097168,0.054776608496208606,141,2
OADMET-0002915,N#CCCCn1cc(C(=O)N2CCN(Cc3cccs3)CC2)c2ccccc21,4.97,3.9112682819366453,0.09298283160122271,1491,3
OADMET-0002914,COC(=O)CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)C1CC1,5.46,5.527827644348145,0.08602573433845322,1490,4
OADMET-0002913,O=C1CCC2(C(=O)N3CCOc4cc(O)ccc4C3)Sc3ccccc3N12,5.22,5.235842704772949,0.1762714552941499,1489,3
OADMET-0002912,CC(C)c1ocnc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(F)F,6.13,4.885733032226563,0.08439652185305578,1488,3
OADMET-0002911,CCOc1cccc(CC(=O)NC2CCCOc3ccccc32)n1,5.06,5.3008713722229,0.12091966651227364,269,4
OADMET-0002910,CCOc1cccc(CCC(=O)N2CCCNC(=O)[C@@H]2CC)c1,5.035,4.785714244842529,0.16526948233509461,101,1
OADMET-0002909,CC(C)N(C(=O)c1n[nH]c2ccccc2c1=O)c1ccc(Cl)cc1,4.78,5.314644432067871,0.06731284428944861,1487,0
OADMET-0002908,Cn1nc(C(=O)N2CCOc3ccccc3C2CO)c2ccccc21,5.19,5.2287591934204105,0.1160943310688816,545,4
OADMET-0002907,CSCc1cccnc1C(=O)N(Cc1ccccc1)C1COC(C)(C)C1,5.51,5.121838188171386,0.12429282912730878,1486,4
OADMET-0002906,COCC(Cc1ccccc1)N(C)C(=O)c1cc(-c2cccs2)n[nH]1,5.54,5.030529499053955,0.07490247594280526,1485,2
OADMET-0002905,CO[C@H]1COC[C@H]1NC(=O)c1c(Cl)cccc1OCC1CC1,4.72,4.922454738616944,0.11742552390745199,177,4
OADMET-0002904,CCn1ccc(C(=O)Nc2cccc3c2OC(C)(C)CC3O)c1C,5.44,4.7671891212463375,0.12694715115672245,1484,3
OADMET-0002903,COc1cc(C(=O)N2CCCCC2c2ncccn2)cc(OC)c1C,5.4,5.056305694580078,0.07211859452173162,32,4
OADMET-0002902,CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC(C)(O)CC2)c1,5.74,5.3787071228027346,0.08898751523985123,544,4
OADMET-0002901,O=C(NCC(=O)N1CCCC1C=Cc1ccccc1)NC1CCCCC1,5.14,4.954131317138672,0.11522690216181812,529,2
OADMET-0002900,CC(C)C1c2ccccc2CCN1c1cncc(C#N)n1,5.95,5.353724098205566,0.16596228764548193,543,3
OADMET-0002899,Cc1ccc2snc(C(=O)NC(c3cnn(C)c3)C(C)C)c2c1,5.78,5.040278625488281,0.09347919188409075,1483,2
OADMET-0002898,O=C(O)C1(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CCC1,2.54,4.022642374038696,0.0694217973607984,1482,4
OADMET-0002897,CC1CCN(S(=O)(=O)c2ccc(C#N)cc2NCCCO)CC1,4.89,5.170701026916504,0.12377386512973314,1481,3
OADMET-0002896,COc1ccccc1-c1n[nH]c(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1C,5.42,3.785504961013794,0.11778033719050167,270,2
OADMET-0002895,Cc1ccn2ncc(C(=O)NCC(F)(F)c3ccc(F)cc3F)c2c1,5.43,4.730078887939453,0.05049435632336554,542,2
OADMET-0002894,O=C1NC(=O)C2(CCCN(C(=O)Cn3c(-c4ccccc4)cc4ccccc43)C2)N1,5.1,4.70831184387207,0.2004570590526034,1480,3
OADMET-0002893,O=C(NCCc1cnn(-c2ccccc2)n1)C1(c2ccc(Cl)cc2)CC1,5.09,5.312185859680175,0.10861048887808647,316,3
OADMET-0002892,Cc1onc(OC(F)F)c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C,5.42,5.164607906341553,0.08066167462449521,61,0
OADMET-0002889,Cc1cc(CNC(=O)N2CCCC3(C=Cc4ccccc4O3)C2)no1,4.79,5.072620964050293,0.06459455049512258,1479,4
OADMET-0002888,O[C@@H]1C[C@H]2CN(c3cccc(-n4cnc5ccccc54)n3)CCN2C1,2.67,2.9637967586517333,0.12426527931991542,499,4
OADMET-0002887,O=C(Nc1ccn(Cc2ccncc2)n1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12,4.96,4.283163738250733,0.11072298254593863,541,1
OADMET-0002886,Cc1ncccc1Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)no1,1.77,3.858306884765625,0.25081324724470716,1478,0
OADMET-0002885,NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc1,1.78,2.241379451751709,0.13015614714411075,1477,1
OADMET-0002884,COc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1,5.21,5.03233585357666,0.10202271354910236,1,2
OADMET-0002883,CSCCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(CC2CC(C)C2)n1,5.48,5.319499492645264,0.056562203334661415,1476,2
OADMET-0002882,O=C(Nc1cc(Br)ccn1)N[C@@H]1CCCc2cccnc21,5.25,4.927981281280518,0.05569438376163477,268,1
OADMET-0002881,CCOC(=O)C1(F)CN(c2ncnc3[nH]cc(CC)c23)CC12COC2,1.76,2.270786237716675,0.13138774072918516,89,2
OADMET-0002880,CC[C@H]1C(=O)NCCCN1Cc1oc(-c2ccccc2)nc1C,5.06,4.657240962982177,0.10907547155902297,139,3
OADMET-0002879,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1,5.42,4.855531978607178,0.11232331807652769,1475,3
OADMET-0002878,Cc1ccc(F)c2[nH]c(C(=O)Nc3cccc(C4(C)NC(=O)NC4=O)c3)cc12,5.0,4.942066287994384,0.1307828307168175,315,1
OADMET-0002877,Cn1cc(NC(=O)Cc2cccc(Cl)c2)c2ccccc2c1=O,3.08,4.849058055877686,0.07305780429990556,1474,2
OADMET-0002876,O=C(NC1CCCN(C(=O)C2Cc3ccc(F)cc32)C1)c1ccc2ccccc2c1,5.34,5.045226955413819,0.025679036005336466,1473,0
OADMET-0002875,CCc1n[nH]c2ncnc(N3CC4(C3)SCCC4C(=O)OC)c12,1.99,2.508144807815552,0.11533379187773816,1472,1
OADMET-0002874,Cn1ccnc1C(Nc1nccn2ncc(Br)c12)c1ccccc1,5.33,4.969646644592285,0.11344047218772124,1471,0
OADMET-0002873,Cc1nccnc1C(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,5.22,4.117577838897705,0.11578778762671306,540,0
OADMET-0002872,CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C,4.74,5.0965110778808596,0.1357421455504777,218,4
OADMET-0002871,CCCc1cc(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)[nH]n1,5.16,4.189030551910401,0.05360267254467843,539,4
OADMET-0002870,CN(C)c1cccnc1CNC(=O)Nc1cccc(-c2ncco2)c1,5.07,4.891900539398193,0.09750364665927153,1470,2
OADMET-0002869,O=C(CSc1ncccn1)N1c2ccccc2CCc2ccccc21,5.51,4.975648307800293,0.1167581346335899,267,2
OADMET-0002868,CC1OC(=O)NC1C(=O)N(C)CCc1cccc2ccccc12,5.44,4.992009449005127,0.1782844944292426,1469,3
OADMET-0002867,O=C1OC(c2ccccc2)CC1C(=O)N1Cc2ccccc2C(c2ccccc2)C1,5.12,4.558176517486572,0.16925601598630047,538,3
OADMET-0002866,O=C(Nc1c[nH]nc1-c1ccccn1)c1n[nH]c2ccccc12,3.47,4.40723762512207,0.14972831112275192,1468,4
OADMET-0002865,Cc1cccc(C(C)(C)C(=O)NCc2nnnn2-c2ccc(F)cc2)c1,5.44,5.077142429351807,0.0975918311440327,266,1
OADMET-0002864,O[C@@H](CNc1nc(C(F)(F)F)nc2[nH]cnc12)c1ccc(Cl)cc1,4.94,4.358125019073486,0.08937098205551983,1467,1
OADMET-0002863,Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccn1,1.79,3.197898197174072,0.2159477170632579,95,1
OADMET-0002862,COCCN1C(=O)N[C@H]2CN(C(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)CC[C@H]21,2.57,3.7056798458099367,0.13825022972337078,1466,2
OADMET-0002861,O=S(=O)(Nc1ccc2occc2c1)c1cccc2cccnc12,5.83,5.4036399841308596,0.07843769716647853,1465,3
OADMET-0002860,CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1cccc2c1OCC2,5.3,5.476416397094726,0.048565325498140764,158,4
OADMET-0002859,COc1cc(NCC2(C3CCCCO3)CC2)ccc1OC(F)F,5.83,5.264328956604004,0.049996403090652036,1464,1
OADMET-0002858,CCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4[nH]ccc34)CC2)cc1,2.82,2.0468409061431885,0.10274684938859585,1463,1
OADMET-0002857,N#Cc1ccncc1NCc1nc2c(s1)CC(c1ccccc1)CC2,5.86,5.04756269454956,0.05799362302528119,1462,0
OADMET-0002856,CCn1cc(-c2cn([C@@H](C)c3ccccc3Cl)nn2)cn1,5.545,4.508294582366943,0.058231207765882885,537,2
OADMET-0002855,CC(C)c1nc(CN(CC2(F)CCOCC2)c2nc(C3CC3)ns2)cs1,5.33,5.69752197265625,0.1426347804523803,1461,3
OADMET-0002854,CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C,5.59,5.606642055511474,0.11536019782176968,536,2
OADMET-0002853,Cn1ccnc1Cn1cc(-c2ccc3cnccc3c2)nn1,1.76,3.6665114402770995,0.06340649226566716,1460,4
OADMET-0002852,CC1(CN(Cc2cnn(C(C)(C)C)c2)c2ncccn2)CCC2(CC1)OCCO2,4.86,5.2238767623901365,0.09596081502197619,1459,1
OADMET-0002851,CCn1ccc(CN(CC2(c3ccccc3)CCOCC2)c2nc(C)ns2)n1,4.97,5.136895275115966,0.0832354486066946,1458,0
OADMET-0002850,CCc1cnc(N(Cc2ccn(C)n2)CC2CCCC(C)(C)O2)nc1,5.35,5.048253917694092,0.08954619213792638,1457,4
OADMET-0002849,COc1ccccc1C(C)(C)n1cc(COC2CCCCO2)nn1,5.44,5.127517127990723,0.10729196160330179,138,3
OADMET-0002848,Cc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)CCOC(C)C)c2)c(C)c1,5.69,5.588498306274414,0.04197826647546475,1456,0
OADMET-0002847,COc1ccccc1C(C)(C)n1cc(C2CCCS(=O)(=O)C2)nn1,5.27,4.915595817565918,0.12754336459826812,138,3
OADMET-0002846,Cn1nc(-c2cccnc2)cc1C(=O)N1c2ccccc2CC1(C)C,5.4,5.343852519989014,0.11122579685837301,495,0
OADMET-0002845,O=C(Nc1ncc(C2CC2)s1)c1cccn1C1CCCC1,5.71,5.115107440948487,0.09497461705143843,1455,1
OADMET-0002844,COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C,5.88,5.1205367088317875,0.05162823493733648,61,0
OADMET-0002843,Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1,3.84,3.926937770843506,0.020117748760953694,1454,2
OADMET-0002842,CC(NS(=O)(=O)C1CC12CCC2)c1nc(C2CCCCC2)no1,5.04,4.925075626373291,0.12903256929117274,1453,3
OADMET-0002841,CCN1CCc2cc(-c3nc4nccc(C#N)c4[nH]3)ccc21,5.45,4.788336849212646,0.09827309555505495,1452,4
OADMET-0002840,Cn1c(Cc2ccsc2)nnc1N1CCCc2ccccc2CC1,5.14,5.136922454833984,0.09094213924039314,1451,2
OADMET-0002839,CCc1c[nH]c2ncnc(N3CC4(CCOCC(=O)N4)C3)c12,1.74,2.022156238555908,0.11458984820880158,89,2
OADMET-0002838,O=C(Cn1nnn(C2CC2)c1=O)N1c2ccccc2CCc2ccccc21,5.14,5.094257640838623,0.10325139059868509,260,4
OADMET-0002837,O=C(c1ccnc(CO)c1)N1CCN(c2cncc3ccccc23)CC1,1.73,2.770560646057129,0.1319608836153809,1450,3
OADMET-0002836,Cc1nccc(N(CCC2CCCC2(F)F)Cc2c(C)cnn2C)n1,2.91,4.357951068878174,0.17601866102098188,1449,2
OADMET-0002835,C/C=C/CCCN(Cc1cn[nH]c1)c1cc(C(N)=O)nc(C2CC2)n1,5.01,4.27107572555542,0.12087606220803074,1448,4
OADMET-0002834,COC(=O)CCc1ccccc1C(=O)N(C)CC(C)C1CCCCC1,5.64,5.853977394104004,0.12263363080534893,1447,3
OADMET-0002833,COc1ccc(CC(C)(CO)NC(=O)c2cc3c(C)cc(C)nc3s2)cc1OC,4.885,4.973027896881104,0.11204674748865197,1446,2
OADMET-0002832,N#CC1CC2(C1)CC(C(=O)N1CCc3sccc3C1c1ccccc1)C2,5.38,5.123591899871826,0.07097774360426154,1445,4
OADMET-0002831,Cc1ccc(-n2ccc(Cn3cc(C4CC4)nn3)n2)cc1,4.04,4.7116601943969725,0.050880490568594776,1444,0
OADMET-0002830,O=S(=O)(Nc1cccc2c1CN(C1CC1)C2)c1sccc1C1CC1,5.4,5.664663887023925,0.18439895487390623,491,3
OADMET-0002829,O=S(=O)(c1ccccc1-c1ccccc1)N1CCC2CC21,5.64,5.970506763458252,0.08328939129697371,1443,1
OADMET-0002828,COc1cc2c(N3CCC(CS(C)(=O)=O)CC3)ccnc2cc1F,3.73,3.2549102783203123,0.09609421497681388,1442,2
OADMET-0002827,CCOC(=O)c1csc(C2CCCN2C(=O)Nc2ccc(C(C)(C)C)cc2)n1,5.91,5.409449768066406,0.1035296989441113,1441,0
OADMET-0002825,O=S(=O)(Nc1n[nH]cc1Cl)c1c[nH]c2cc(C(F)(F)F)ccc12,6.225,4.777453327178955,0.195740492346476,535,3
OADMET-0002824,CC1(C)Cc2cccc(C(=O)Nc3nnc(C(C)(C)C)s3)c2O1,6.52,5.876345443725586,0.1615662956357369,1440,2
OADMET-0002823,C#CCN(Cc1ccccc1)C(=O)C(C)NC(=O)c1cccc(Cl)c1Cl,5.39,5.003564167022705,0.07987941948442971,1439,3
OADMET-0002822,CN1CCCc2cc(CC(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)ccc21,5.47,5.803630542755127,0.09051387765310802,1438,4
OADMET-0002821,CCN1C(=O)c2ccc(C(=O)N3CC(C(C)C)Cc4cc(OC)ccc43)cc2S1(=O)=O,5.52,5.4332630157470705,0.13267727906973129,1437,0
OADMET-0002820,COc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)CCC2,5.73,5.718980312347412,0.11980397570317002,166,3
OADMET-0002819,N#Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1N1CCC2(CCC2)C1,6.345000000000001,7.0196709632873535,0.16463278692773914,1436,1
OADMET-0002818,CCOc1cccnc1S(=O)(=O)N1CCc2ccc(F)cc2C(C)C1,5.74,5.7664697647094725,0.10684638135548795,534,4
OADMET-0002817,CCOc1cccnc1S(=O)(=O)NCc1ccc(F)cc1C(F)(F)F,5.3,5.203728294372558,0.09004963069856733,534,4
OADMET-0002816,Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(-c2nc(C3CC3)n[nH]2)c1,5.51,5.145707035064698,0.07059404228083023,1435,0
OADMET-0002815,Cn1cc(CCC(=O)N2CC(O)(c3ccc(F)cc3)C2)c2ccccc21,5.72,5.139225196838379,0.07585515754289132,1434,1
OADMET-0002814,Cc1cnn(C2CCCN(C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)C2)c1,5.28,5.155379104614258,0.061316333515576145,174,2
OADMET-0002813,COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(OC)c1C,5.02,5.615631198883056,0.030923572524509238,265,0
OADMET-0002812,CCN(CC)C(=O)COc1cccc(NC(=O)c2cc(OC)c(C)c(OC)c2)c1,5.0,5.308490467071533,0.06144461755990273,1433,2
OADMET-0002811,O=C(Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)cc1)c1ccc(F)cc1,5.03,4.649316692352295,0.088828070082557,265,0
OADMET-0002810,CC(C)(C)NS(=O)(=O)C1(CNc2cc(Br)ccc2C#N)CCC1,5.949999999999999,5.988224697113037,0.11893359048121073,1432,0
OADMET-0002809,Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(c1)C(C)CCN2,5.74,5.766973781585693,0.13141518555200657,1431,2
OADMET-0002808,CC(C)Cn1c(CC(C)(O)c2ccccc2)nnc1N1CCSCC1,5.19,5.462613582611084,0.14727523177110569,1430,3
OADMET-0002807,COc1ccc(N(C)S(=O)(=O)c2cccc3c(Cl)cc(C)nc23)cn1,5.775,5.3822808265686035,0.06269719923221193,1429,1
OADMET-0002806,Cc1n[nH]c2ccc(C(=O)NCCn3c(=O)[nH]c4ccccc43)cc12,3.26,3.3593719959259034,0.12964947472673813,533,3
OADMET-0002805,O=C(Nc1ccc(F)nn1)c1cc(-c2ccccc2Cl)nc2ccccc12,4.91,5.187582206726074,0.1072978788165964,1428,3
OADMET-0002804,Cc1ccccc1C(OCC(O)CNC1CCC(=O)NC12CCC2)c1ccccc1,4.95,4.412464046478272,0.15087991562590514,1427,0
OADMET-0002803,CC1(NC(=O)Cc2c[nH]c3ncccc23)CCCc2ccccc21,5.22,4.197009944915772,0.13193347401839856,1426,1
OADMET-0002802,Cc1cc2c(cc(C(=O)N[C@H]3COC[C@H]3n3cccn3)n2CC(F)(F)F)s1,5.55,5.097444152832031,0.10452813155530605,1425,1
OADMET-0002801,Cc1cc(S(=O)(=O)NCCc2cc(C(C)(C)C)on2)ccc1C#N,5.84,5.690318870544433,0.1646309662220832,1424,3
OADMET-0002800,CCc1nc(NC(=O)NC(CO)CC(O)c2ccccc2)sc1C(C)(C)C,5.09,5.679190635681152,0.13746513024189394,1423,0
OADMET-0002799,Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc2[nH]c(=O)oc2c1,3.4,3.645517110824585,0.07046209753035858,493,2
OADMET-0002798,CS(=O)(=O)Nc1ccc(CNc2nc(-c3ccccn3)nc3ccccc23)cc1,5.21,4.277505588531494,0.1104764285941553,532,4
OADMET-0002797,CC(C)(C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc12,5.84,5.02987699508667,0.12746885748173628,531,3
OADMET-0002796,COC(=O)c1c(CNC(=O)c2cnnn2-c2ccccc2)nn2c1CCCC2,5.0,4.947715759277344,0.1159913619270793,90,1
OADMET-0002795,COC(=O)c1cc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)c[nH]1,5.029999999999999,3.986925649642944,0.18632766263027645,264,1
OADMET-0002794,CC(C)(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2nnc[nH]2)no1,5.64,4.458256340026855,0.15800454417928309,1422,1
OADMET-0002793,Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)cc2c1,4.96,5.1456506729125975,0.12717315214494132,263,4
OADMET-0002792,O=C(c1cccnc1N1CCC(c2nc3ccccc3[nH]2)CC1)N1CCc2ccccc21,5.39,4.966111946105957,0.1303120300595548,1421,3
OADMET-0002791,CC1(Cc2cccc(Br)c2)CCCN1c1ccnc(C#N)n1,6.125,5.936814498901367,0.12213315336300842,1420,4
OADMET-0002790,O=S(=O)(c1cccc(Cl)c1O)N1CC(CO)(c2ccccc2)C1,4.93,4.589224624633789,0.11397973051699621,1419,1
OADMET-0002789,COc1ccccc1CC1CCCN1C(=O)CCn1nnc2ccccc2c1=O,5.46,5.571694850921631,0.06688759821793301,147,1
OADMET-0002788,O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc(O)cc1,5.3,4.458482360839843,0.11891950703526916,1418,3
OADMET-0002787,O=C(NCc1cc2c(cc1OC(F)F)OCO2)NCC1CCCCC(F)(F)C1,5.7,5.119048309326172,0.05810968233928979,1417,4
OADMET-0002786,CCc1noc(C)c1CN1C(=O)c2ccccc2C(C)C1=O,6.14,4.7163433074951175,0.13348072530369046,530,1
OADMET-0002785,FC(F)(F)c1ccc(N2CCC[C@H]2COc2ccccc2)nn1,5.41,4.712128448486328,0.10674308450081783,262,1
OADMET-0002784,CCC(COC)n1cc(-c2ccc(C(F)(F)F)cc2)nn1,5.35,4.681837749481201,0.08369785674321999,1416,0
OADMET-0002783,Cc1ccn2ncc(C(=O)N3CCCCCC3C=Cc3ccccc3)c2n1,5.69,5.418213558197022,0.08419024890585206,529,2
OADMET-0002782,COCn1nc(C)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1C,5.41,4.781255435943604,0.10045501632426582,351,3
OADMET-0002781,CC(NC(=O)NCc1cn(-c2ccccc2)nn1)c1ccc(C#N)cc1,5.5,4.956460094451904,0.08461472661041315,1415,2
OADMET-0002780,Cc1nc2c3ccccc3nc(SC(C)C(=O)N(C)C(C)C)n2n1,5.925000000000001,5.558764934539795,0.07977170418110316,1414,1
OADMET-0002779,CC(C)(CC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1)Cc1ccc(Cl)cc1,5.3,4.891927242279053,0.12309289354416017,1413,3
OADMET-0002778,CCN(C)c1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O,5.04,5.170134830474853,0.13093167060198388,1412,3
OADMET-0002777,COc1cccc2oc(C(=O)N3CCCC(c4ccc(F)c(O)c4)C3)cc(=O)c12,5.03,5.452926445007324,0.1159316600043652,1411,4
OADMET-0002776,O=C(Cc1nc(Cc2ccccc2)no1)N1CCCC1c1ccccc1,5.22,5.107593536376953,0.09587924674871466,103,3
OADMET-0002775,CC(C)(C(=O)NCCc1nccc(C(F)(F)F)n1)c1ccccc1,5.23,4.764825057983399,0.05709584759270841,528,1
OADMET-0002774,CCn1ccc(NC(C)C(=O)Nc2ccccc2Cc2ccccc2)n1,5.07,5.390025806427002,0.05528343119829138,1410,0
OADMET-0002773,CC1N(C(=O)Cc2n[nH]c3c2CCCC3)c2ccccc2C1(C)C,5.91,5.976833343505859,0.11396427641456768,1409,1
OADMET-0002772,CC(NC(=O)NCC1CCCC12CC2)c1nccn1-c1ccccc1,5.215,5.1940515518188475,0.132082285109558,1408,3
OADMET-0002771,CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ncnc4[nH]ncc34)CC2)O1,1.8,2.2403046131134032,0.04037200393379967,261,0
OADMET-0002769,CC(NC(=O)CNc1ccn(-c2ccccc2C(F)(F)F)n1)C1CC1,5.22,5.5024253845214846,0.050730951880863025,1407,4
OADMET-0002768,O=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)C1OCCO1,5.25,5.129426193237305,0.16237429354025262,1406,0
OADMET-0002767,CC1(C)CC2CC(C)(CN2C(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)C1,6.27,5.524622631072998,0.08058512885203518,1405,2
OADMET-0002766,Cc1cccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)c1,5.904999999999999,5.289016628265381,0.04434291057999978,1404,1
OADMET-0002765,Cc1cc(-c2noc(-c3cnc4snc(C)c4c3)n2)ccc1-n1cncn1,3.1,3.5767370223999024,0.1213447390867998,1403,0
OADMET-0002764,CC(C)c1ccc(-c2noc(CNC(=O)NCc3ccco3)n2)cc1,4.79,4.620526123046875,0.0984504086067366,361,0
OADMET-0002763,COc1ncccc1NC(=O)NC(CC1CCOC1)c1ccccc1,5.31,4.960114860534668,0.062111600987852594,1402,4
OADMET-0002762,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4cccc(F)c43)c12,5.6,5.841468238830567,0.12817901651150362,1401,2
OADMET-0002761,COC(=O)C(C)(C)Cc1cn(-c2ccc(C(C)C)cc2)nn1,5.41,4.783410835266113,0.050495325727632386,1400,2
OADMET-0002760,C=CCC1(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2CO)CCCCC1,6.32,5.5209697723388675,0.14316874512152053,1399,0
OADMET-0002759,COC(=O)c1cc(-c2ccc(C)cc2)n(-c2nccnc2C)n1,4.74,4.454774856567383,0.09313166188170159,1398,4
OADMET-0002758,CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(-c2cc[nH]n2)s1,5.795,5.037106513977051,0.12252524235874442,1397,3
OADMET-0002757,O=S(=O)(Nc1ccnn1C1CCC1)c1ccc2c(c1)CCCC2,4.77,5.49940071105957,0.09265311033868198,257,2
OADMET-0002756,Cc1cccn2cc(-c3cccc(NC(=O)Nc4ccn(CCCC(=O)N(C)C)n4)c3)nc12,4.87,4.613844680786133,0.06593956386811006,1396,2
OADMET-0002755,CN(C(=O)N1CCCNC(=O)C1Cc1ccccc1)c1ccc(F)cc1,5.38,4.696505832672119,0.06967871127527901,101,1
OADMET-0002754,O=C1NC(CC2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12,5.6,5.66926383972168,0.045458353076560334,1395,0
OADMET-0002753,CCc1cc(N2CCC(Nc3ncnc4c(C)cccc34)CC2)ncn1,6.15,3.920515537261963,0.09546100198995876,527,0
OADMET-0002752,CC(C)C(CNC(=O)Cn1nnn(C2CCC2)c1=O)c1ccccc1,4.95,4.973569297790528,0.09934350855684318,260,4
OADMET-0002751,CNC(=O)C1Cc2ccccc2N1C(=O)Cc1c[nH]c2cccc(C)c12,5.13,4.684706020355224,0.14589427813040448,259,3
OADMET-0002750,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)C2)c1,3.43,4.300459384918213,0.16741091152418072,258,3
OADMET-0002749,Cc1nccc(N2CCN(C(=O)c3cnn(-c4ccccc4F)c3C)CC2)n1,1.9,3.636713981628418,0.06961271855380817,24,3
OADMET-0002748,O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cn2ccccc2n1,1.79,3.0106021881103517,0.10457812766146092,1394,4
OADMET-0002747,Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1,5.87,4.591973972320557,0.08419692335876551,526,4
OADMET-0002746,COc1ccc2ncc(C(=O)NCc3ccnc(OCC(F)(F)F)c3)n2n1,4.78,4.076627016067505,0.1020239396140242,1393,3
OADMET-0002745,c1csc(CN2CCN(c3ncnc4[nH]ccc34)CC2)c1,1.76,1.7974810600280762,0.055190747028393154,1392,1
OADMET-0002744,Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C2CCCCC2)n1,5.34,5.389813423156738,0.07593899098275572,257,2
OADMET-0002743,Cc1ccc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c2c1,1.83,3.1512592792510987,0.08624000715628215,513,4
OADMET-0002742,COC1CC(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C12CCC2,1.82,3.9036531925201414,0.1610811417605221,145,3
OADMET-0002740,Cc1ccc(C(=O)NCc2nn(C)c3ccccc23)c(Cl)c1,5.67,4.755039882659912,0.0845277573315817,525,2
OADMET-0002739,COCC1(C2CCC2)CN(C(=O)NCCc2cc(C)c(O)c(C)c2)C1,5.33,4.799384498596192,0.06577741829411991,524,0
OADMET-0002738,CCc1cccc(S(=O)(=O)NCCc2nc(C)cc(C)n2)c1,5.34,5.092214775085449,0.0632325363848544,1391,4
OADMET-0002736,O=C(NC1CCOc2ccc(F)cc21)c1ccc(N2CCCC2)nn1,4.91,4.978357410430908,0.10430458944122227,98,1
OADMET-0002735,Cc1ccccc1C1CCCN1CC(=O)Nc1ccccc1C(N)=O,5.455,5.15458927154541,0.07689432855627137,523,1
OADMET-0002734,CCn1c(NC(=O)c2cc(C)nn2C2CCOCC2)nc2cc(C#N)ccc21,1.81,4.215252780914307,0.13162495156753481,1390,4
OADMET-0002733,COc1ccc(C(=O)N(C)C(C)Cc2ccccc2C)cc1S(=O)(=O)N1CCOCC1,5.76,5.433948230743408,0.06507389070807304,131,2
OADMET-0002732,CCn1cc(S(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)nc1C,5.66,5.160483360290527,0.09972387633337526,1389,0
OADMET-0002731,O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCCCC1c1ncon1,5.61,5.385137271881104,0.08755909762446866,522,0
OADMET-0002730,COC1(C)CCCN(C(=O)NCc2cc(Cl)cc3c2OCC3)CC1,5.58,5.607841110229492,0.02403610377436933,1388,4
OADMET-0002729,Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cc2c1C,5.175,4.9862871170043945,0.09695749606275883,196,3
OADMET-0002728,CC1CCc2ccccc2N1C(=O)COc1ccc2c(c1)NC(=O)CC2,5.65,5.4507166862487795,0.03417327158152648,137,4
OADMET-0002727,CC(C)CCn1ccc(NC(=O)NCC2CCC3(CCCC3)O2)n1,5.71,5.415772914886475,0.046007279458796,521,4
OADMET-0002726,Cc1nsc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1C#N,5.01,5.087160682678222,0.1160690548850364,520,3
OADMET-0002725,Cn1cccc1C1CCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1,5.35,4.791538715362549,0.10118194277140052,40,1
OADMET-0002724,N#CC1(CCCN2CCN(c3ccnc4ccccc34)CC2)CCOCC1,2.6,2.9475651741027833,0.08122575739458883,1387,3
OADMET-0002723,Cc1nnnn1-c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1,2.89,3.267899179458618,0.131431212052894,110,4
OADMET-0002722,COc1ccccc1NCC(=O)N1CCN(C)c2ccccc2C1,5.47,5.052420616149902,0.08606378798758003,256,0
OADMET-0002721,Cc1nc(CNC(=O)NC2CCCCc3cc(Br)ccc32)no1,4.97,5.006532287597656,0.1603667628410768,319,4
OADMET-0002720,O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)N1CCc2ccc(F)cc2C1,5.46,5.056201076507568,0.08265330497159018,519,2
OADMET-0002719,CN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1ccc(N2CCOCC2)nc1,2.53,2.392656660079956,0.1210285417654513,1386,2
OADMET-0002718,Cc1ccc(S(=O)(=O)CC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1C,6.115,4.961438083648682,0.10166153429424996,518,3
OADMET-0002717,CC(C1CC1)n1cc(NC(=O)NC2CCCOc3cc(F)ccc32)cn1,5.54,5.5116785049438475,0.08239051464314516,60,4
OADMET-0002716,COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NS(=O)(=O)c2cccs2)cc1,4.79,4.628780746459961,0.06656552286994713,517,4
OADMET-0002715,CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccncc1,5.83,4.898102283477783,0.07616883997418547,1385,1
OADMET-0002714,CCCOc1cccc(CCNC(=O)N2C3CCC2CC2(C3)CC2(F)F)c1,5.82,4.652799510955811,0.13140057260708107,1384,0
OADMET-0002713,Cc1ccc(N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c(F)c1,5.44,4.539581775665283,0.1132958022823686,162,4
OADMET-0002712,CC(F)(F)c1ccccc1NC(=O)NC(C)(C)c1nc2ccccc2s1,5.29,5.215773010253907,0.07595656301159379,516,1
OADMET-0002710,NC(=O)CC1(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c23)CCOCC1,2.78,3.085686445236206,0.16394298342782473,1383,2
OADMET-0002709,CC(C)(C)n1nnnc1CNC1(c2ccc(Cl)cc2)CCCCC1,5.49,5.607527732849121,0.15403834351598106,1382,2
OADMET-0002708,Cc1ccc(CNC(=O)N2CCN(c3ncnc4ccsc34)CC2)s1,1.84,3.2362210273742678,0.10344133327969797,255,3
OADMET-0002707,C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(F)cc1N1CCOCC1,5.56,5.1099772453308105,0.062179749974901354,254,1
OADMET-0002706,CCC(NC(=O)Cn1ncc2ccccc2c1=O)c1cc(F)ccc1F,4.94,5.156381225585937,0.09572535078135032,1381,4
OADMET-0002705,CN(C)Cc1nc2ccc(NC(=O)c3ccc(C4CC4(F)F)cc3)cc2[nH]1,3.56,3.661994457244873,0.09342167489781299,1380,2
OADMET-0002704,COc1ccc2[nH]c(C(=O)NC[C@@H]3C[C@H](OC)CN3c3ccncn3)cc2c1,5.6,4.128279209136963,0.06565080557487477,1379,4
OADMET-0002703,O=C(N[C@H](CO)Cc1ccccc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1,5.16,4.963500595092773,0.05774548326583159,1378,1
OADMET-0002702,Cc1[nH]c(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1,5.24,5.057769775390625,0.08748958148037753,515,1
OADMET-0002701,CC(C)(C)[C@H](NC(=O)c1cc(N2CCCCC2)ccn1)C(N)=O,5.365,5.193126487731933,0.057896685409451684,1377,4
OADMET-0002700,CC(Cc1nc(-c2cccc(S(C)(=O)=O)c2)nn1C12CC(C1)C2)c1ccccc1,5.64,5.381596279144287,0.15148231319816913,1376,3
OADMET-0002699,Cn1c(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cc2ccsc21,5.22,4.070291137695312,0.08899366603984761,1375,3
OADMET-0002698,C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(C2CCc3ccc(Cl)cc32)nn1,5.7,5.592701435089111,0.05999977336263573,1374,1
OADMET-0002697,Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)CCN2CCCC2=O)c1,5.36,5.660800361633301,0.17686539376075264,1373,0
OADMET-0002696,Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(N2C(=O)NCC2C)c1,5.85,4.985911846160889,0.10216921413943782,1372,4
OADMET-0002695,Cn1cc(Cl)c(C(=O)Nc2nc(-c3ccccn3)nc3sccc23)n1,2.69,3.985892963409424,0.11468912517725179,514,0
OADMET-0002694,Cc1ccc(C(=O)N2CCC(Nc3ncnc4[nH]c5ccccc5c34)CC2)cc1,1.91,3.004723644256592,0.07353078763651887,513,4
OADMET-0002693,COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCCC2)c2ccccn2)cc1,5.06,5.194605731964112,0.11228125878371965,1371,2
OADMET-0002692,CCC(NC(=O)CC(C)(O)c1ccccc1)c1cccc2cc[nH]c12,4.67,5.370531749725342,0.07146585873751994,1370,1
OADMET-0002691,CCCN(Cc1cnn(C)c1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1,5.35,4.905332374572754,0.09049820805845145,1369,0
OADMET-0002690,CCc1ccc(-n2nc(C3CC3)nc2C2CCC(C(=O)N(C)C)CC2)cc1,5.27,4.83545446395874,0.15356766899437355,1368,3
OADMET-0002689,Cc1n[nH]c(C)c1CNC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1,4.07,3.470591163635254,0.039539855016699814,1367,2
OADMET-0002688,Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cccc(Cl)c1O,4.65,5.03886661529541,0.1620971415741445,512,2
OADMET-0002687,Cc1ccccc1-n1ncc(C(=O)NS(=O)(=O)c2ccccc2)c1C(F)(F)F,5.12,4.7621561050415036,0.14049362982828353,1366,3
OADMET-0002686,O=C(NC1(c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)nc1,5.44,4.870735836029053,0.09810961121278851,253,4
OADMET-0002685,O=C1C2CCCCN2S(=O)(=O)N1CCC1CCc2ccccc21,5.98,5.211161422729492,0.09510235829309176,1365,4
OADMET-0002684,OC1(c2cn(CCOc3ccc(Cl)cc3)nn2)CCOCC1,3.2,3.814747762680054,0.05608306183254333,1364,4
OADMET-0002683,CCc1ccc(NC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O,6.07,5.244858646392823,0.1837789070911876,1363,3
OADMET-0002682,CCn1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cn1,2.42,4.286997127532959,0.1212780302998555,511,3
OADMET-0002681,COc1cccc(C(O)CNC(=O)c2cnn(C)c2Cc2ccccc2)c1,5.33,4.788612270355225,0.0590261138724594,30,1
OADMET-0002680,CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cc(F)ccc1N1CCC(O)CC1,5.4,5.366456794738769,0.061769317534699754,30,1
OADMET-0002679,Cc1nscc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2,5.27,5.738782978057861,0.09454896842072112,1362,1
OADMET-0002678,Cc1cc(-n2c(C)cc(C(=O)NC3(Cc4ccc(Cl)cc4)CCOC3)c2C)no1,5.53,5.166530990600586,0.058391701969704723,1361,0
OADMET-0002677,O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCc2sccc2C1,5.28,4.555189514160157,0.04294179558902687,1360,2
OADMET-0002676,CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1,5.57,4.811486530303955,0.07646475467316632,30,1
OADMET-0002675,Cc1nn(-c2ccccc2)cc1NC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1,5.8100000000000005,4.81328067779541,0.05339255783939762,1359,0
OADMET-0002674,Cc1nc(F)ccc1NC(=O)NC1CCCc2sc(-c3ccc(F)cc3)nc21,5.28,5.051402378082275,0.0856030335517963,1358,2
OADMET-0002673,Cc1cc(CC(C)NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)n(-c2ccccc2)n1,4.81,5.561960220336914,0.07889251168573368,1357,1
OADMET-0002672,CNS(=O)(=O)c1csc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1,1.72,3.474014234542847,0.10831774116183883,1356,4
OADMET-0002671,Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ncnn1-c1ccccc1,5.3,5.152090358734131,0.03116089884307312,61,0
OADMET-0002670,O=C(Nc1cnn(C2CCCCC2)c1)N1CCCN(C(=O)c2ccc(F)cc2)CC1,5.18,4.782994270324707,0.05805190822358469,332,2
OADMET-0002669,CC1(C)Oc2cc(-c3ccc4c(c3)CCOC4)ccc2NC1=O,3.36,4.37592077255249,0.16846292189753587,1355,3
OADMET-0002668,FC(F)(F)C1(c2nc(-c3cc(C4CC4)[nH]n3)no2)CC2(CCC2)C1,5.03,4.963399124145508,0.1421799488407414,1354,2
OADMET-0002667,O=C(CCNC(=O)c1c[nH]c2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1,1.8,3.2681700706481935,0.1659981754837161,1353,2
OADMET-0002666,Cc1cc(NCCc2ccccc2S(N)(=O)=O)ncc1S(=O)(=O)N1CC2CCC2(C)C1,6.325,5.58535099029541,0.0665585686989981,1352,4
OADMET-0002665,CC1(C)CCC(CCNC(=O)c2ccc3cccnn23)OC1,5.42,4.572445869445801,0.13323912628966905,1351,4
OADMET-0002664,O=S(=O)(CCNCc1cc2ccccc2nc1N1CCCCC1)c1ccccc1,5.08,5.615484809875488,0.08041223780023779,1350,3
OADMET-0002663,COc1ccc(N(CC2CC2)C(=O)CC2CC(C)(C)CO2)cc1,5.08,5.029038619995117,0.1211354684146288,1349,0
OADMET-0002662,COc1cc(OC)nc(N2CCCN(C(=O)c3ccsc3)CC2)n1,5.87,4.914568710327148,0.06878996080226533,92,0
OADMET-0002661,Cc1ccc(C)c(-n2ncc(NC(C)c3csc(C)n3)c2C)c1,5.28,5.296022605895996,0.08718241018796757,1348,1
OADMET-0002660,Oc1cc2c(NCCc3ccc4[nH]ccc4c3)ncnc2cc1F,1.8,2.515767526626587,0.09700174158990726,1347,4
OADMET-0002659,COC(=O)c1c(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)nn2c1CCCC2,5.87,5.830758476257325,0.07601303613253418,90,1
OADMET-0002658,CCCOc1cccc(C(=O)NC(c2ccccn2)c2ccccc2OC)c1,5.41,5.300167846679687,0.1052272683830024,1346,2
OADMET-0002657,COC(=O)c1c(COc2ccc(C3CC3)cc2Cl)nn2c1CCCC2,5.76,5.837279605865478,0.07592443761891832,90,1
OADMET-0002656,COc1cc(Br)ccc1NC(=O)C(C)c1cn(C)c2ccccc12,5.65,5.263554477691651,0.11066496399610634,510,3
OADMET-0002655,O=C(Nc1cncc2ccc(F)cc12)C1CCOc2ccc(Cl)cc21,5.13,4.590952205657959,0.06986846849694937,1345,0
OADMET-0002654,CCCC(C)c1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1,4.73,5.397674083709717,0.1562446404927098,252,2
OADMET-0002653,Cn1ncc(C(=O)NCC2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c1Cc1ccccc1,5.44,5.115946102142334,0.06111323294765735,30,1
OADMET-0002652,CCCOc1ccc2[nH]cc(CCNC(=O)c3cncc4[nH]ccc34)c2c1,1.71,4.329267978668213,0.15014414167763265,14,1
OADMET-0002651,CC1CC1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1,5.57,5.614288234710694,0.17646624346481163,509,2
OADMET-0002650,CCc1c[nH]c2ncnc(N3CCCC(n4cc(C)cn4)C3)c12,1.75,2.8204195976257322,0.19584972544465784,89,2
OADMET-0002649,O=C(COC1CC1)Nc1ccc(-n2cnc3ccccc32)nc1,1.79,3.810844659805298,0.08863783559415568,508,1
OADMET-0002648,COC(C)c1cccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)c1,4.69,4.0024237632751465,0.130052205149101,1344,1
OADMET-0002647,CN1C(=O)CCCC1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1,1.73,3.2542061805725098,0.1811231121792614,1343,0
OADMET-0002646,O=S(=O)(Nc1ccc(CC(F)(F)F)cc1)c1ccc(Cl)s1,4.78,5.3298468589782715,0.10802167391692945,1342,4
OADMET-0002645,CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2(c3ccccn3)CCC2)c1,5.67,5.313353633880615,0.039527629582626386,507,1
OADMET-0002644,CCOCc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1,2.0,4.288453865051269,0.13779910662442343,1341,3
OADMET-0002643,COc1ccc(Sc2nsc(NC(=O)N[C@H](CO)C(C)(C)C)n2)cc1,5.98,5.5109052658081055,0.09300623080923034,1340,2
OADMET-0002642,CCN(C1CCCCC1)S(=O)(=O)c1c(C2OCCO2)cnn1C,5.48,4.924915790557861,0.10265374387979075,1339,4
OADMET-0002641,O=C1COc2ncnc(NCC34CCCCC3C4(F)F)c2N1,2.06,2.0247770309448243,0.042228462020646514,1338,3
OADMET-0002640,COc1ccc(C(NC(=O)CNC(C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1,5.12,5.066218090057373,0.03677882067052045,149,1
OADMET-0002639,Cc1nc2ccccn2c1CSc1nnc2n(C)c3ccccc3n12,3.52,4.8610797882080075,0.06515237292432045,1337,1
OADMET-0002638,CCn1ncc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1C(F)(F)F,5.26,4.765112781524659,0.05590395924205927,1336,0
OADMET-0002637,CC(Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(F)cc1,5.31,5.0430089950561525,0.06881167553311773,1335,1
OADMET-0002636,O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc2ccccc2nc1N1CCCC1,5.19,5.1684041023254395,0.05839655736742655,506,0
OADMET-0002635,O=C(c1cccc(Nc2ccccc2)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,5.45,4.322949600219727,0.10453095901992616,1334,1
OADMET-0002634,CC(NC(=O)c1c2ccccc2nn1C)c1cccc(C(F)(F)F)c1,4.7,5.29540786743164,0.10888180135491583,1333,2
OADMET-0002633,CC(C)(C)n1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1,6.045,5.294132328033447,0.08845086509550103,1332,1
OADMET-0002632,Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Br,5.79,5.171709251403809,0.11262359572060313,1331,0
OADMET-0002631,O=C(Nc1cccc(-c2ccccc2)c1)N1CCCC(N2CCCC2=O)CC1,5.77,5.0817492485046385,0.04682106155950604,1330,4
OADMET-0002630,O=C(C1CC(c2ccccn2)=NO1)N1CCCC(Nc2cccc(Br)c2)C1,4.705,4.51214828491211,0.18891222609152247,1329,3
OADMET-0002629,Cc1n[nH]c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1-c1ccc2c(c1)OCCO2,4.95,4.097103500366211,0.07195940654787811,1328,2
OADMET-0002628,CC(Cc1cccnc1)NC(=O)c1cc(C(C)(C)C)n2ncnc2n1,6.11,4.701417732238769,0.18974808145762104,1327,0
OADMET-0002627,CN(CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,5.29,5.016420459747314,0.11039097759112107,1326,3
OADMET-0002626,CCC1OCCCC1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1,5.19,5.188279151916504,0.09688196141738539,1325,4
OADMET-0002625,COc1ccccc1CC1CCCN1C(=O)Cc1cnn2ccccc12,5.3,5.431389713287354,0.06204439416374115,64,1
OADMET-0002624,NC(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)nn1-c1ccccc1,1.74,5.207077503204346,0.07713179422705664,1324,2
OADMET-0002623,CCc1ccc(C(C)NC(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)cc1,5.28,4.583996868133545,0.12340763155252737,1323,1
OADMET-0002622,COc1ccc2[nH]cc(C3CCN(c4ncnc5[nH]ncc45)CC3)c2c1,5.52,2.142296028137207,0.0740138546628251,261,0
OADMET-0002621,CSC(C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1)c1ccccc1,5.15,5.045494079589844,0.07526866013054158,251,2
OADMET-0002620,CC12CC(CN1C(=O)NCc1ccccc1-c1ccc(Cn3cccn3)cc1)C2,5.42,4.909327983856201,0.17874166697673488,1322,0
OADMET-0002619,COCC1(C(=O)Nc2cnc3c(F)c(F)ccc3c2)CCCCC1,5.91,5.403477382659912,0.1447368809331034,1321,3
OADMET-0002618,CC(C)c1nc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c[nH]1,4.87,5.036340045928955,0.09267695800098742,1320,1
OADMET-0002617,O=C(c1ccn(-c2cc(F)cc(F)c2)n1)N1CCCc2ccccc21,5.67,5.513737392425537,0.08068965206483877,1319,4
OADMET-0002616,COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(O)c2ccccc2)ccc1C,5.88,5.210801887512207,0.10072879415746738,1318,4
OADMET-0002615,CC(C)C(NC(=O)C1CC12CCc1ccccc12)c1nc(C2CC2)no1,5.33,5.740975666046142,0.061218798319098114,505,4
OADMET-0002614,Nc1nncc(-c2cccc(C(=O)N3CC4(CCC4)CC3C(F)(F)F)c2)n1,5.5,5.152559280395508,0.09679322940267299,1317,2
OADMET-0002613,CC(C)(C)Cc1cc(NC(=O)C2CCCc3sc(N)nc32)n[nH]1,5.29,5.257466602325439,0.1796511039007842,1316,3
OADMET-0002612,CC(C)c1occc1C(=O)N(C)C1CCCN(c2ccccc2)C1=O,4.85,4.984896087646485,0.03895098426586977,1315,1
OADMET-0002611,CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1,5.27,4.58189115524292,0.15762186669140513,250,0
OADMET-0002610,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1,4.6850000000000005,5.192271518707275,0.04172909260389381,1314,2
OADMET-0002609,Cc1cc(C)nc(-c2noc(C(CC(C)C)N3CCCCC3=O)n2)c1,4.67,5.3364441871643065,0.05575663040495071,1313,1
OADMET-0002608,CCN(CC(=O)OC)C(=O)c1ccc(-c2cccc(C)c2)n1C,4.76,4.962449550628662,0.06708508021947024,1312,0
OADMET-0002607,CC(Cc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1)C(=O)O,5.08,2.659535551071167,0.08378717498407545,249,1
OADMET-0002606,CCOC(C)c1nc(C(NC(=O)OC(C)(C)C)c2ccccc2)no1,5.33,5.554362106323242,0.10632709486707187,1311,4
OADMET-0002605,Cc1cccc(C(NC(=O)N2CCC(Cn3cccn3)CC2)C(C)(C)C)c1,5.6,5.542515277862549,0.2181403248124158,1310,3
OADMET-0002604,Cc1conc1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C,5.81,5.939725875854492,0.18202524943331727,1309,2
OADMET-0002603,CC1CCN(C(=O)C2CC23CCc2ccccc23)c2c(O)cccc21,6.855,5.9757078170776365,0.039620915310493145,1308,1
OADMET-0002602,CC(C)C(C)(NCc1cn(C(C)(C)C)nn1)c1ccc(Br)cc1,5.62,5.2561639785766605,0.12724381326759193,1307,0
OADMET-0002601,Cc1ccc(-c2nc(C)c(C(=O)N3C4C=CCC3CC4)s2)o1,5.915,5.9283853530883786,0.10401155299620132,1306,4
OADMET-0002600,CC(NC(=O)N1CCCC1CCO)c1ccccc1Oc1ccccc1,5.28,5.079349517822266,0.11210052700185334,103,3
OADMET-0002599,CCCC1(COC)CCCN1C(=O)N[C@@H](C)c1cccc(O)c1,5.63,5.720658683776856,0.1830898586834903,248,2
OADMET-0002598,O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1cnn(-c2ccccc2F)c1,5.4,4.858803081512451,0.16205696012244208,1305,3
OADMET-0002597,CC(C)(C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1)c1ccc(F)cc1,5.09,4.963755035400391,0.0940499565242628,1304,1
OADMET-0002596,O=C(C1CC1)N1CCCN(c2cccc(C(F)(F)F)n2)CC1,5.47,5.766832447052002,0.08044867961352292,62,4
OADMET-0002595,O=C(NCc1nnnn1C1CC1)c1ccc(-n2cnnn2)cc1Cl,2.69,3.748430919647217,0.06004984808784438,1303,4
OADMET-0002594,CCS(=O)(=O)c1ccccc1CC(=O)N(C)c1ccc(C)nn1,4.175,4.465895462036133,0.06572521703703721,1302,0
OADMET-0002593,O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1,4.609999999999999,4.626405334472656,0.1837947157981597,247,3
OADMET-0002592,CC(C)C(=O)N1CCCN(c2ccnc(Cc3ccc(F)cc3)n2)CC1,5.68,5.4368589401245115,0.06488845422107875,1301,4
OADMET-0002591,O=C(c1cnc2ccccn12)N1CCN(C2CC2)c2ccccc21,5.23,5.09520320892334,0.10282629929827539,20,2
OADMET-0002590,COc1cccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)c1,5.12,5.006259918212891,0.11146454208149087,63,3
OADMET-0002589,COc1ccc2c(c1)[C@H](n1cc(-c3ccccc3OC)nn1)CCO2,5.2,4.841710948944092,0.03070723776149218,59,0
OADMET-0002588,Cc1cc(F)ccc1[C@H](C)n1cc(C(C)(O)Cc2ccccc2)nn1,5.41,5.100934886932373,0.10828786856768753,504,3
OADMET-0002587,CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3OC(F)F)CC2)cc1,5.02,5.188935089111328,0.18424349057551448,1300,3
OADMET-0002586,CC(C)CC1(CO)CCCN1C(=O)NCC(C)(C)c1cccs1,5.62,5.93011245727539,0.19728552673165692,503,2
OADMET-0002585,CC(C)(C)c1ccccc1C(=O)N1CCC(Cn2ccnn2)CC1,5.35,4.77066011428833,0.08158701188365967,9,2
OADMET-0002584,CCOC(=O)C(Cc1ccccc1)N(C(=O)c1cncc(Cl)c1)C1CC1,5.62,5.088930225372314,0.0904854152784736,1299,2
OADMET-0002583,Cn1ncc(C2CC2)c1C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1,5.91,4.872336959838867,0.04684618959438084,1298,1
OADMET-0002582,OC1(CNc2ncnc3ccc(F)cc23)CCCCCC1,1.75,2.9445851325988768,0.11315220077540404,502,1
OADMET-0002581,COc1ccc2c(c1)CCN(C(=O)C(OC)c1ccccc1)CC2,5.29,4.9862473487854,0.13551024731448943,501,0
OADMET-0002580,O=S(=O)(c1ccnn1CC1CCC1)N1CCc2ccncc21,5.6,4.905842113494873,0.06155825230081986,1297,0
OADMET-0002579,COc1ccccc1-c1cn(Cc2coc(C3CC3)n2)nn1,5.15,4.86195707321167,0.06389359009393622,59,0
OADMET-0002578,CCOc1cncc(NS(=O)(=O)c2cccc(N(C)C)c2)n1,4.65,5.2538065910339355,0.15924917725243384,1296,4
OADMET-0002577,N#Cc1c(C2CC2)n[nH]c1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,5.03,4.870881175994873,0.15592706286621963,1295,3
OADMET-0002576,CCn1c(SCC(=O)N(C)C2CCCCC2)nc2ccccc2c1=O,5.38,5.439044857025147,0.07377863357557493,500,0
OADMET-0002575,CC(NC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc2c(c1)CC(=O)N2,6.16,4.888315582275391,0.09703009473982016,1294,2
OADMET-0002574,Cc1nocc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1,4.79,5.595051956176758,0.06173918019190209,1293,1
OADMET-0002573,CCC(NC(=O)c1cc(C)n(CC)c1C)C(O)C(F)(F)F,5.41,5.184640502929687,0.1828566043539599,1292,0
OADMET-0002572,COCC(NS(=O)(=O)c1cc(C)ccc1Cl)c1cccc(OC)c1,5.58,5.472704792022705,0.12075394772987995,1291,4
OADMET-0002571,Cn1cnnc1C1CCCN1c1cccc(-n2cnc3ccccc32)n1,6.0600000000000005,3.81612343788147,0.1142841787816798,499,4
OADMET-0002570,CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1,5.14,4.746338367462158,0.10404681067559729,1290,2
OADMET-0002569,Cc1cc(C(=O)N(C)C2(C(F)(F)F)CC2)nn1C(C)(C)C,5.58,5.3422465324401855,0.19788572788020067,498,3
OADMET-0002568,C=C1CCC(CNc2nc(C)ccc2S(=O)(=O)N2C3CCCC2CC(=O)NC3)CC1,5.53,4.970681953430176,0.16015346233550032,1289,0
OADMET-0002567,CC1(C)[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)[C@H]1c1ccccc1,5.93,5.772888469696045,0.20201006020029383,1288,0
OADMET-0002566,COc1ccc(C(C)NC(=O)N2CCCCCC2c2ccncc2)cc1F,5.61,4.947690677642822,0.05147625985461211,497,1
OADMET-0002565,C[C@@H](c1cccc(F)c1)n1cc(CC2(C#N)CCCCC2)nn1,5.55,5.605442142486572,0.08334523963613333,496,3
OADMET-0002564,CCOC(Cn1cc(-c2ccc(C)c(Cl)c2)nn1)OCC,5.52,5.15321626663208,0.07390232642875812,1287,1
OADMET-0002563,Cc1nc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc12,5.36,5.0586522102355955,0.09610716856202291,1286,0
OADMET-0002562,Cc1cccc(C(C)NC(=O)c2cc(-c3ccccc3O)[nH]n2)c1C,4.94,5.350001430511474,0.10077116059934473,1285,4
OADMET-0002561,Cn1nc(-c2cccnc2)cc1C(=O)N1CCC2(CC1)OCCc1ccccc12,5.32,4.748058605194092,0.0989979318477455,495,0
OADMET-0002560,Cc1cccc(Oc2ccccc2C(=O)N2CCCC(C(O)C(F)(F)F)C2)c1,5.4,5.026388835906983,0.1259718468012406,1284,3
OADMET-0002559,COC(C)(C(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1ccccc1,6.140000000000001,5.682640933990479,0.08834691815766647,494,4
OADMET-0002558,Cn1nc(CNC(=O)[C@H]2COCC[C@H]2c2ccccc2)cc1C1CC1,4.57,4.84246244430542,0.10017210903059127,272,0
OADMET-0002557,CCCCCC1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O,5.13,5.152252578735352,0.08712639229780464,1283,2
OADMET-0002556,CCOc1cc(NC(=O)c2cc(C)cc3ccncc23)cc(OCC)c1,5.6,5.025872802734375,0.07680080073560525,1282,1
OADMET-0002555,Nc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cn1,5.03,3.735599184036255,0.17816484377671493,286,2
OADMET-0002554,O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC(c2cn[nH]c2)CC1,5.08,4.525624942779541,0.10024414480755917,1281,0
OADMET-0002553,NC(=O)c1ccc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)s1,5.89,5.492402744293213,0.10284485533276969,1280,4
OADMET-0002552,O=C(Cn1cc(-c2cncc(F)c2)nn1)N1CC2CCCCC21c1ccccc1,5.52,5.178515148162842,0.10597400817798247,1279,3
OADMET-0002551,COc1ccc2[nH]nc(C(=O)NC(C)c3ccccc3N(C)C)c2c1,5.44,5.3410694122314455,0.07017059233965937,1278,2
OADMET-0002550,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2,5.11,5.660516834259033,0.09381111927040721,246,2
OADMET-0002549,Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@H]1C[C@@]1(C)OC(C)C,5.63,4.444724750518799,0.07869522612160834,493,2
OADMET-0002547,Cc1ccc(NC(=O)c2nnc(C3CC3)o2)cc1OCCC(C)C,5.16,5.126979637145996,0.09941182444637221,1277,1
OADMET-0002546,COc1cccc2[nH]cc(S(=O)(=O)NC(C)CCSC)c12,5.36,5.319068527221679,0.10387116322724282,1276,4
OADMET-0002545,Cc1noc(C(C)N2CC3CCC(C2)N3C(=O)C2CC(C)(C)C2)n1,4.96,4.293521499633789,0.09673729668108585,1275,2
OADMET-0002544,CN1C(=O)CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)C1c1cnn(C)c1,3.45,3.0724961280822756,0.09157899297702383,1274,3
OADMET-0002543,COc1ccc(S(=O)(=O)N2c3ncnn3CCC2C)cc1F,5.14,4.928108215332031,0.1195276406647504,1273,2
OADMET-0002542,Cc1ccn2c(=O)c(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cnc2c1,5.54,5.126541328430176,0.18265252675403115,245,3
OADMET-0002541,CCC(C)Oc1cc(C(=O)N2CCC(C)c3cccc(O)c32)ccn1,6.195,6.167435932159424,0.15453135845938062,492,4
OADMET-0002539,O=S(=O)(Nc1cccc2[nH]ccc12)c1sccc1C1CC1,6.050000000000001,5.250575828552246,0.10713388587413444,491,3
OADMET-0002538,COc1ccccc1-c1cn(Cc2nc(C(C)(C)C)cs2)nn1,5.835,5.395420837402344,0.042744670468402,59,0
OADMET-0002537,O=S1(=O)CCC2(CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)C1,5.45,4.730963039398193,0.08081798608283168,136,3
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,6.12,4.23076286315918,0.07074360091230644,244,1
OADMET-0002337,CCOP(=O)(OCC)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC,6.87,5.887948799133301,0.11058588326731647,1272,1
OADMET-0002333,Fc1ccc(N2CCNCC2)cc1,2.17,2.2815332412719727,0.12413360061779585,227,1
OADMET-0002332,c1ccc(C2CCNC2)cc1,3.95,2.5779354095458986,0.17454877396860854,490,3
OADMET-0002331,Cn1c(C(=O)O)cc2cc(Cl)ccc21,3.77,2.8129067420959473,0.12320399606638842,447,4
OADMET-0002330,Cc1ccc(-c2nc3ccccc3s2)cc1N,3.9,4.476268100738525,0.14584447983131477,243,4
OADMET-0002329,O=C(O)CSc1ccccc1,1.87,2.8539894104003904,0.08496072978181422,58,2
OADMET-0002328,Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1,3.31,3.421257829666138,0.13816438732657166,11,3
OADMET-0002327,COc1ccc(-c2noc(CCCC(=O)O)n2)cc1,2.65,2.539143466949463,0.08004716807992851,242,0
OADMET-0002326,O=C(O)c1cc(-c2ccc(O)cc2)on1,1.86,2.417073202133179,0.12133386808462152,17,0
OADMET-0002325,COc1ccc(OC)c(N)c1,2.96,2.968225526809692,0.19232689304181036,83,4
OADMET-0002324,Nc1nc2ccc(Cl)cc2s1,3.58,3.458968162536621,0.0840503026168293,34,3
OADMET-0002323,O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1,1.96,2.5768670082092284,0.07414077090995443,135,2
OADMET-0002322,Nc1nccs1,2.83,2.961116647720337,0.13245311095502277,1271,0
OADMET-0002321,Cc1ccc(N2CC(C(=O)O)CC2=O)cc1C,2.54,2.8375274181365966,0.11435040860951821,128,0
OADMET-0002320,O=C(O)Cn1ccc([N+](=O)[O-])n1,1.88,1.9425383806228638,0.041224772346200596,468,4
OADMET-0002319,Cc1ccc(SC(C)C(=O)O)cc1,3.0,3.182082986831665,0.1892969059379804,225,3
OADMET-0002318,COc1ccc2cc(C(=O)O)[nH]c2c1,2.88,2.6835973262786865,0.09281066615848438,0,0
OADMET-0002317,O=C(O)c1ccc(-n2cnnn2)cc1,1.92,2.813595151901245,0.022416550221664264,57,0
OADMET-0002316,Cc1csc2ncc(C(=O)O)c(=O)n12,2.11,2.0763155937194826,0.08858344444483322,238,2
OADMET-0002315,NCc1ccc2c(c1)OCO2,2.64,2.4844743251800536,0.10884147141699514,55,4
OADMET-0002314,Nc1ccc2c(c1)OCO2,2.63,3.1569668769836428,0.20571002608445196,55,4
OADMET-0002313,COc1ccccc1CN,2.02,2.1335458278656008,0.06788453064123989,7,3
OADMET-0002312,COc1ccc(CCN)cc1OC,2.47,2.327777862548828,0.054726205421412294,82,4
OADMET-0002311,Nc1ccc(N2CCCCC2)cc1,2.95,3.654888916015625,0.16348912543669195,241,4
OADMET-0002310,CN(C)c1cccc(C(=O)O)c1,1.97,2.912792110443115,0.161238657055576,5,2
OADMET-0002309,COc1ccc(CCC(=O)O)cc1OC,2.87,2.4601667404174803,0.09321472150180106,18,4
OADMET-0002308,Cc1ccc(C(=O)O)o1,2.32,2.3211376667022705,0.12978830356765325,132,1
OADMET-0002307,Cc1c(N)cccc1Cl,2.89,2.993664836883545,0.11207485208373884,481,1
OADMET-0002306,O=C(O)c1cc(Br)cc(Br)c1O,2.89,2.862384033203125,0.04191332226808915,48,1
OADMET-0002305,O=C(O)c1cc(-c2cccs2)on1,2.18,2.280807304382324,0.10981098816749686,17,0
OADMET-0002304,NCCCc1ccccc1,2.2,2.866486072540283,0.14423240389015402,18,4
OADMET-0002303,COc1ccc(OCC(=O)O)cc1,2.76,2.4435926914215087,0.07301935390583719,0,0
OADMET-0002302,NCCCn1ccnc1,2.82,2.518767833709717,0.12638753507642195,1270,4
OADMET-0002301,NCCc1ccc(S(N)(=O)=O)cc1,2.91,2.0343216180801393,0.1829946878432222,88,2
OADMET-0002300,CCOc1ccccc1C(=O)O,2.1,2.3759193420410156,0.0990475445110775,2,3
OADMET-0002299,O=C(O)c1sc2cc(Cl)ccc2c1Cl,3.05,3.3498018264770506,0.09644148703411407,33,4
OADMET-0002298,COc1cccc(OC)c1C(=O)O,2.13,2.1263567924499513,0.19871566922862338,0,0
OADMET-0002297,COc1cccc2cc(C(=O)O)c(=O)oc12,2.2,2.5405921459198,0.13075725752043713,38,0
OADMET-0002296,O=C(O)c1cc2cc(F)ccc2[nH]1,2.01,2.8888546943664553,0.08307758839400925,31,3
OADMET-0002295,NC(=O)C1CCNCC1,2.09,2.5652201652526854,0.18241068125711246,482,2
OADMET-0002294,NC(=O)C1(N2CCCCC2)CCNCC1,2.06,2.429618501663208,0.03869423762431347,159,4
OADMET-0002293,c1ccc2c(c1)CCNC2,2.22,2.76340069770813,0.12616835467572196,1269,3
OADMET-0002292,NCc1cccnc1,1.92,2.3357962131500245,0.12218059801355403,51,2
OADMET-0002291,O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O,4.27,3.4937895774841308,0.14187817296013452,78,1
OADMET-0002290,O=C(O)c1cccs1,2.12,2.314226245880127,0.03568813805258018,56,0
OADMET-0002289,O=C(O)COc1ccc(Br)cc1,2.97,2.4183959007263183,0.0670186588061379,3,4
OADMET-0002288,O=C(O)CSc1nc2ccccc2s1,2.96,3.2349365234375,0.10256850172598549,58,2
OADMET-0002287,O=C(O)COc1ccc(Cl)cc1,2.76,2.6098658084869384,0.057921192041200296,3,4
OADMET-0002286,O=C(O)c1ccc2c(c1)OCO2,2.55,2.3598711490631104,0.045020416832491646,55,4
OADMET-0002285,CCOc1ccc(C(=O)O)cc1,2.21,2.8499536514282227,0.04910595760976863,0,0
OADMET-0002284,Cc1cc2oc(C(=O)O)c(C)c2cc1C,3.5,2.6981179237365724,0.02195669721086325,134,0
OADMET-0002283,O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1,3.52,3.5809738636016846,0.07694084665236942,22,1
OADMET-0002282,O=C(O)c1ccc(-c2cccc(F)c2)nc1,2.73,2.4526698112487795,0.10255805662725226,5,2
OADMET-0002281,O=C(O)c1ccc(OC(F)F)c(OCC2CC2)c1,3.65,3.414845037460327,0.06708755932371507,450,1
OADMET-0002280,O=C(O)c1ccncc1,1.96,2.4410753726959227,0.03028898736154171,0,0
OADMET-0002279,O=C(O)CCn1c(=O)oc2ccccc21,1.97,2.2404799938201903,0.04766026535498439,26,0
OADMET-0002278,O=C(O)C1COc2ccccc2O1,2.91,2.393837738037109,0.12403962369649156,489,2
OADMET-0002277,COc1ccc(C(=O)O)cc1,2.26,2.6492310523986817,0.052482267976293503,0,0
OADMET-0002276,Cc1ccc(C(=O)O)cc1Cl,2.88,2.6069777488708494,0.07941555971268908,6,4
OADMET-0002275,Cc1cc(Cl)ccc1OCC(=O)O,2.96,3.1244044303894043,0.1263704314960502,1,2
OADMET-0002274,O=C(O)c1cc([N+](=O)[O-])ccc1Cl,1.85,2.3885321617126465,0.10089905559821631,2,3
OADMET-0002273,COc1cccc(C(=O)O)c1,2.48,2.2157514095306396,0.03350326771248956,0,0
OADMET-0002272,O=C(Nc1ccccc1C(=O)O)c1ccco1,3.13,2.4598515033721924,0.05042609814149612,28,2
OADMET-0002271,COc1ccc(C(=O)O)cc1Br,3.02,2.607172632217407,0.05558705118586632,0,0
OADMET-0002270,O=C(O)c1cccnc1Cl,2.11,2.709007501602173,0.11886859424492414,2,3
OADMET-0002269,CCC(CC)C(=O)O,2.35,2.108250617980957,0.030349414209994482,87,4
OADMET-0002268,CCCCCCCCCCCCCCCC(=O)O,2.5,2.4306387901306152,0.139956181687185,125,0
OADMET-0002267,O=C(O)c1cc(-c2ccc(Cl)cc2Cl)on1,3.37,2.755361270904541,0.10330507975503946,17,0
OADMET-0002266,Cc1nc(SCC(=O)O)c2c(C)c(C)sc2n1,3.88,2.27683424949646,0.0942335193046274,446,4
OADMET-0002265,Cc1onc(-c2ccccc2Cl)c1C(=O)O,2.94,2.9078798294067383,0.09395648612638403,29,0
OADMET-0002264,O=C(O)c1cccc([N+](=O)[O-])c1,2.02,2.020668077468872,0.05475887217273717,5,2
OADMET-0002263,O=C(O)c1c(F)cccc1F,1.82,2.213400936126709,0.0585094521877835,5,2
OADMET-0002262,Cc1cc(C)cc(C(=O)O)c1,1.97,2.278205728530884,0.041816825488862695,6,4
OADMET-0002261,O=C(O)c1cc2c(ccc3ccccc32)o1,3.38,2.7220558643341066,0.13576899695930156,240,2
OADMET-0002260,COc1ccc(Br)cc1C(=O)O,2.01,2.766646671295166,0.056476723773913474,1,2
OADMET-0002259,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O,4.01,3.1741400718688966,0.08922340914660154,29,0
OADMET-0002258,O=C(O)c1cccc(F)c1,2.66,2.102402400970459,0.06275483771017473,5,2
OADMET-0002257,COc1cccc(OCC(=O)O)c1,3.23,2.711566686630249,0.03703052065443181,3,4
OADMET-0002256,O=C(O)c1cc(Br)c(Br)s1,3.03,2.7254895687103273,0.08803604324115957,488,1
OADMET-0002255,CCCCCCCC/C=C\CCCCCCCC(=O)O,2.17,2.752753400802612,0.10203642471775733,133,1
OADMET-0002254,CCCCCCCCC(=O)O,2.45,2.38408842086792,0.07544844865080468,125,0
OADMET-0002253,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O,3.05,3.876606273651123,0.14571762230289292,11,3
OADMET-0002252,O=C(O)COc1ccc(C(=O)c2ccccc2)cc1,2.04,2.5155467987060547,0.046558245632455184,3,4
OADMET-0002251,O=C(O)c1c(F)cccc1Cl,2.57,2.2128512859344482,0.09479559774189607,2,3
OADMET-0002250,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,4.14,3.8368268489837645,0.1410531339264807,487,0
OADMET-0002249,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,3.05,2.3847092628479003,0.15348808532704689,78,1
OADMET-0002248,CCC(C(=O)O)c1ccccc1,2.45,2.772645139694214,0.11030967046523282,19,2
OADMET-0002247,O=C(O)c1ccc([N+](=O)[O-])cc1,2.55,2.5471384525299072,0.03201722485566881,0,0
OADMET-0002246,O=C(O)c1ccco1,1.92,2.270182752609253,0.01629496670709423,17,0
OADMET-0002245,CCc1nn(C)c(C(=O)O)c1Cl,2.64,2.442698907852173,0.15306531353608174,486,3
OADMET-0002244,CCc1nc2ccc(C(=O)O)cc2nc1CC,2.05,2.1727491855621337,0.07606457051863648,239,1
OADMET-0002243,O=C(O)c1ccc(I)cc1,3.18,2.2703670501708983,0.09187560041074648,0,0
OADMET-0002242,O=C(O)CN1CCOCC1,2.01,2.4044894695281984,0.0634761584937396,86,3
OADMET-0002241,O=C(O)c1cnc2sccn2c1=O,2.75,1.9834421873092651,0.027886644474572078,238,2
OADMET-0002240,O=C(O)c1ccc(NC(=O)c2ccco2)cc1,3.05,2.400045299530029,0.08870494132960785,28,2
OADMET-0002239,COc1ccc(C(=O)O)cc1OC,2.07,2.2207446098327637,0.08475410703822868,0,0
OADMET-0002238,Cc1oncc1C(=O)O,2.19,2.555714321136475,0.08207027275597904,485,1
OADMET-0002237,O=C(O)C(Sc1ccccc1)c1ccccc1,3.72,3.67177472114563,0.14721122467118375,19,2
OADMET-0002236,O=C(O)c1cccc(-c2ccco2)c1,2.92,2.51643967628479,0.11442160066667503,5,2
OADMET-0002235,O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,2.88,2.703307008743286,0.04430819970469373,6,4
OADMET-0002234,O=C(O)CC1c2ccccc2Oc2ccccc21,3.75,3.839945936203003,0.08063669762595416,466,3
OADMET-0002233,O=C(O)CN1CCCC1=O,1.88,2.2927424907684326,0.06700204973427745,10,1
OADMET-0002232,CC(=O)Nc1ccc(C(=O)O)cc1,2.69,2.7760503768920897,0.06735516402557531,0,0
OADMET-0002231,O=C(O)CC(c1ccccc1)c1ccccc1,3.7,3.746466588973999,0.09845271485032694,18,4
OADMET-0002230,O=C(O)C(CO)c1ccccc1,2.49,2.508930492401123,0.1734369613200363,19,2
OADMET-0002229,Cc1ccccc1C(=O)O,2.61,2.2568045139312742,0.11159851940095958,2,3
OADMET-0002228,O=C(O)c1cc2ccccc2cc1O,3.04,3.244659996032715,0.06892937606979696,2,3
OADMET-0002227,COc1cc(C(=O)O)cc(OC)c1OCc1ccccc1,2.87,2.73551607131958,0.12942328600409506,37,4
OADMET-0002226,O=C(O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,2.02,2.2887203693389893,0.06342277362240831,484,2
OADMET-0002225,O=C(O)c1cccc2c(Br)cccc12,3.54,3.0853235721588135,0.2027895902844224,2,3
OADMET-0002224,CC(CC(=O)O)c1ccccc1,3.24,3.336025094985962,0.20207609547950253,19,2
OADMET-0002223,CN1CCCCC1C(=O)O,2.1,1.8109054088592529,0.07794989270777777,85,2
OADMET-0002222,COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC,2.03,2.1544003009796144,0.04796091380634396,1,2
OADMET-0002221,O=C(O)c1cnccn1,2.64,2.1358362197875977,0.07693811563387193,237,0
OADMET-0002220,COc1cc(C(=O)O)cc(OC)c1OC,1.88,1.974760103225708,0.08472082070615823,0,0
OADMET-0002219,Cc1ccc(C(=O)O)cc1,1.98,2.425067186355591,0.0696877436944321,0,0
OADMET-0002218,Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O,3.44,2.705701732635498,0.06273005289871035,36,0
OADMET-0002217,COc1ccc(Cl)cc1C(=O)O,2.05,2.546880674362183,0.04630035660612545,1,2
OADMET-0002216,Cc1c(C(=O)O)cccc1-c1ccc(OC(F)(F)F)cc1,2.96,2.521737289428711,0.06006535720374378,458,0
OADMET-0002215,Cc1c(C(=O)O)oc2ccc(F)cc12,2.52,2.8724223613739013,0.061754422698359485,76,2
OADMET-0002214,O=C(O)CSCc1ccc(Cl)cc1,3.93,3.197708177566528,0.13247171095396723,3,4
OADMET-0002213,CC(C)c1ccc(OCc2ccc(C(=O)O)cc2)cc1,2.98,3.1450812339782717,0.09642908595048497,0,0
OADMET-0002212,O=C(O)c1ccccc1O,2.01,2.3663665294647216,0.10314869693882524,2,3
OADMET-0002211,CC(C)C(=O)O,1.85,2.539758634567261,0.2942925494889262,87,4
OADMET-0002210,O=C(O)CCSc1ccccc1,1.91,2.362155532836914,0.06587949781194616,18,4
OADMET-0002209,O=C(O)Cc1ccccc1[N+](=O)[O-],2.72,2.903323841094971,0.3888003688843259,471,0
OADMET-0002208,O=C(O)c1ccc(-c2ccc(Cl)cc2)o1,3.05,2.973533344268799,0.09161547262723324,132,1
OADMET-0002207,O=C(O)c1ccc2ccccc2n1,2.89,2.534553623199463,0.09621233597707508,211,2
OADMET-0002206,COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,2.84,2.342151737213135,0.08884321802559951,0,0
OADMET-0002205,O=C(O)c1cc(Cl)ccc1O,2.33,2.2086219787597656,0.04067981066855949,1,2
OADMET-0002204,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,3.67,3.2227561473846436,0.0431197769124804,19,2
OADMET-0002203,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,4.08,3.7833393573760987,0.10640262011684934,11,3
OADMET-0002202,O=C(O)c1cc2ccccc2oc1=O,2.98,2.498701238632202,0.06683440964088852,20,2
OADMET-0002201,O=C(O)COc1ccc([N+](=O)[O-])cc1,2.25,2.2580008506774902,0.08854619078808086,3,4
OADMET-0002200,O=C(O)c1cccnc1,2.24,1.9786237955093384,0.061575671183843085,5,2
OADMET-0002199,O=C(O)CN1CCCC1,1.95,1.843486475944519,0.05917030087447732,236,4
OADMET-0002198,O=C(O)CCCCN1CCOCC1,2.77,2.566900444030762,0.0631279039504025,86,3
OADMET-0002197,CC(C)(O)C(=O)O,1.95,1.5277169466018676,0.2578658750303546,1268,2
OADMET-0002196,O=C(O)CCc1ccccc1,3.01,2.8175230503082274,0.15036279002964792,18,4
OADMET-0002195,CC(C)CC(=O)O,2.9,2.736093282699585,0.06677283261640844,87,4
OADMET-0002194,O=C(O)Cc1ccc(Cl)cc1,2.54,2.8356411457061768,0.048502613600421726,3,4
OADMET-0002193,CC(C)(C)c1ccc(C(=O)NCCC(=O)O)cc1,2.65,3.538964366912842,0.3613640681329149,15,3
OADMET-0002192,O=C(O)CSc1ccc(Cl)cc1,3.05,2.438709259033203,0.03792566331131025,3,4
OADMET-0002191,O=C(O)CCSc1ccc(Cl)cc1,3.73,2.5452759742736815,0.06582883890146875,3,4
OADMET-0002190,O=C(O)c1ccc(Cl)cc1[N+](=O)[O-],2.93,2.8627541065216064,0.1402309279915321,1,2
OADMET-0002189,CCCCN1CCCCC1C(=O)O,1.83,1.9517622709274292,0.11560956706752246,85,2
OADMET-0002188,O=C(O)CS,2.1,2.2323734760284424,0.055431772168850216,1267,1
OADMET-0002187,Cc1ccc(C(=O)O)cc1C#Cc1cnc2cccnn12,2.06,2.6402479648590087,0.0479399373878057,463,0
OADMET-0002186,CCCCOc1cc(C(=O)O)c2ccccc2n1,3.79,3.7386963844299315,0.11508793227619177,11,3
OADMET-0002185,O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1.82,2.741434621810913,0.16092755185089835,17,0
OADMET-0002184,O=C(O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,3.5,4.279637336730957,0.13962075591464115,11,3
OADMET-0002183,O=C(O)C(Cl)Cl,1.92,2.075144362449646,0.30918467434624247,87,4
OADMET-0002182,O=C(O)COc1ccc(F)cc1,2.58,2.6168567657470705,0.07359806229023792,3,4
OADMET-0002181,CC(=O)c1c(C)[nH]c(C(=O)O)c1C,2.14,2.0557729721069338,0.041454310576402316,483,1
OADMET-0002180,C1CCN(C2CCNCC2)C1,1.89,2.072252893447876,0.14521688301536348,1266,0
OADMET-0002179,O=C(O)Cn1c(=O)oc2ccccc21,3.03,2.206251049041748,0.08922980617447196,26,0
OADMET-0002178,COC(=O)C1CCNCC1,2.45,2.677987241744995,0.08685391133186879,482,2
OADMET-0002177,CCCCOc1ccc(C(=O)O)cc1,2.36,2.9165400505065917,0.09264460846405732,0,0
OADMET-0002176,COc1ccccc1C(=O)O,2.73,2.042875123023987,0.052308368666300044,0,0
OADMET-0002175,O=C(O)c1cccc(-n2cnnn2)c1,3.03,2.142033004760742,0.09532771160524446,5,2
OADMET-0002174,CC(C)CCN,1.82,2.520453357696533,0.08573418564922469,479,4
OADMET-0002173,CC(=O)Oc1ccccc1C(=O)O,2.61,2.450034475326538,0.09029794580332308,2,3
OADMET-0002172,CN(C)S(=O)(=O)c1cccc(C(=O)O)c1,2.42,2.2584283351898193,0.09974890603862512,5,2
OADMET-0002171,O=C(O)C(c1ccccc1)c1ccccc1,3.36,3.285353088378906,0.15754663385366396,19,2
OADMET-0002170,O=C(O)C1CCCCC1,2.19,2.00924129486084,0.046728019732267805,1265,4
OADMET-0002169,CC(C)(C)c1ccc(C(=O)O)cc1,2.86,2.4583930015563964,0.20397410735234472,0,0
OADMET-0002168,Cc1ccc(C)c(-n2cnc3cc(C(=O)O)ccc32)c1,3.0,3.052301216125488,0.0956845481718222,462,1
OADMET-0002167,O=C(O)COc1ccc2ccccc2c1,3.11,3.0418986320495605,0.0993958610491237,3,4
OADMET-0002166,N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1,2.22,2.530084228515625,0.1908345431775513,456,3
OADMET-0002165,CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1,2.92,2.316004180908203,0.11991050417330569,27,4
OADMET-0002164,COc1ccc(CCCC(=O)O)cc1,2.82,2.8081156253814696,0.0852323213300821,0,0
OADMET-0002163,O=C(O)c1cc(Cl)cc(Cl)c1O,2.99,2.4072407722473144,0.048834577168261714,1,2
OADMET-0002162,Nc1ncc([N+](=O)[O-])s1,1.79,2.034201669692993,0.06718698520673352,1264,3
OADMET-0002161,Cc1cccc(C)c1N,2.57,2.649743890762329,0.09285783970832916,476,2
OADMET-0002160,NCCN1CCOCC1,1.82,2.6946075916290284,0.07234734444238643,86,3
OADMET-0002159,CCN(CC)CC(=O)O,1.99,2.3046496868133546,0.09228614108554971,1263,1
OADMET-0002158,CC(C)(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1,3.27,3.1789931297302245,0.07550310418365784,235,0
OADMET-0002157,O=C(O)c1cc(Cl)cc(Cl)c1,2.17,2.5117388725280763,0.08199132402162168,6,4
OADMET-0002156,O=C(O)c1ccccc1Cl,2.36,2.5392133235931396,0.09139780929338334,2,3
OADMET-0002155,O=C(O)c1sc2ccccc2c1Cl,3.02,2.648534870147705,0.07005341491592866,84,0
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,3.47,2.7920836448669433,0.1374210334084323,1262,0
OADMET-0002153,CN1CCNCC1,1.8,2.676540756225586,0.10410231630026169,1261,4
OADMET-0002152,CCOC(=O)N1CCNCC1,2.85,2.399928855895996,0.10912619743499748,1260,3
OADMET-0002151,O=C(O)c1cc(-c2ccccc2)on1,2.77,2.1965261936187743,0.07839202395140965,17,0
OADMET-0002150,O=C(O)c1ccc(Cl)c(Cl)c1,1.94,2.8370986938476563,0.07615603626344748,5,2
OADMET-0002149,O=C(O)c1cncc(Br)c1,1.98,2.5259666442871094,0.09608805136427141,234,1
OADMET-0002148,O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1,2.78,2.001626992225647,0.09610111923211546,6,4
OADMET-0002147,O=C(O)c1cc(-c2ccco2)on1,3.19,2.2170998096466064,0.11311680264970857,17,0
OADMET-0002146,N#Cc1cccc(C(=O)O)c1,1.87,2.0138815879821776,0.029517353639112846,5,2
OADMET-0002145,N#CCC(=O)O,2.02,1.7619417905807495,0.13933173047330802,1259,4
OADMET-0002144,O=C(O)COc1cccc2ccccc12,3.42,3.075273132324219,0.06055712802395247,35,0
OADMET-0002143,O=C(O)c1ccc(Cl)cc1,3.01,2.702074146270752,0.08785232246433707,0,0
OADMET-0002142,O=C(O)c1ccc(C(F)(F)F)cc1,2.15,2.751634120941162,0.1194957721783879,0,0
OADMET-0002141,CC1CN(c2ccc(N)cn2)CC(C)O1,2.83,1.930804228782654,0.07302041193980278,1258,0
OADMET-0002140,Nc1nnc(C2CC2)s1,2.52,2.5544239044189454,0.14519359497999867,1257,1
OADMET-0002139,Cc1nc2c([nH]1)-c1ccccc1NCC2,2.96,3.803696346282959,0.053157498151977386,1256,0
OADMET-0002138,Nc1cccc([N+](=O)[O-])c1,1.96,2.3330130577087402,0.1236919261884455,34,3
OADMET-0002137,Nc1ccccc1,3.22,2.1207621097564697,0.17243273460181147,54,3
OADMET-0002136,Cc1c(N)cccc1[N+](=O)[O-],1.83,2.725572109222412,0.09471890397732491,481,1
OADMET-0002135,Cc1ccc(C)c(N2CCNCC2)c1,3.41,2.8209508895874023,0.20358689146559106,52,3
OADMET-0002134,CCNCc1ccncc1,2.85,2.2381224155426027,0.03391185221199871,51,2
OADMET-0002133,c1ccc(C(c2ccccc2)N2CCNCC2)cc1,3.95,3.7946175575256347,0.16314416722949246,221,1
OADMET-0002132,O=C(CN1CCNCC1)N1CCOCC1,2.95,2.3177545070648193,0.10380869876745305,49,0
OADMET-0002131,c1ccc(CC2CCNCC2)cc1,3.1,2.938280725479126,0.1412180989060348,9,2
OADMET-0002130,Nc1ccc(Cl)c(C(F)(F)F)c1,2.81,2.910087537765503,0.07408096990527235,27,4
OADMET-0002129,Nc1cc(C(F)(F)F)ccc1Cl,2.45,3.7461525917053224,0.16903579202496546,27,4
OADMET-0002128,CNc1ccc(Cl)cc1,2.87,2.1289048194885254,0.1148388746907728,1255,1
OADMET-0002127,Nc1c(-c2cccs2)nc2ccccn12,3.92,3.70257306098938,0.1469643462821303,459,4
OADMET-0002126,c1ccc2c(c1)CCc1ccccc1N2,3.22,4.45629301071167,0.2133137307984211,1254,2
OADMET-0002125,O=C(c1ccco1)N1CCNCC1,2.16,2.3226669788360597,0.09866555763180612,53,1
OADMET-0002124,Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,3.59,6.347374153137207,0.12840956344896182,77,0
OADMET-0002123,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1,3.56,3.702647066116333,0.3168950386791056,480,0
OADMET-0002122,Cc1[nH]c2ccccc2c1CCN,4.15,3.626900243759155,0.09296878145974354,222,1
OADMET-0002121,Nc1cccc(C(F)(F)F)c1,2.91,3.190736770629883,0.14690867685976017,27,4
OADMET-0002120,NCc1ccccc1CN1CCCC1,1.95,2.041420006752014,0.0944456777641589,228,0
OADMET-0002119,CC(C)N(CCN)C(C)C,2.73,1.880283522605896,0.09979274752134161,479,4
OADMET-0002118,Nc1c(Cl)cncc1Cl,1.77,3.0510813713073732,0.1986138689713059,1253,3
OADMET-0002117,NCCCN1CCOCC1,2.4,2.6430685997009276,0.0820970091614141,86,3
OADMET-0002116,Nc1nc2ccccc2s1,3.11,3.306194019317627,0.13642941111017742,34,3
OADMET-0002115,Nc1cc(Cl)ccc1O,3.65,2.1836024284362794,0.0242384881551209,233,3
OADMET-0002114,Nc1ccc([N+](=O)[O-])cn1,2.53,2.2550120830535887,0.13884417456690676,232,2
OADMET-0002113,Nc1noc2ccccc12,3.0,3.4390541076660157,0.20542836115749583,1252,2
OADMET-0002112,Nc1ccc(C(F)(F)F)cc1,2.97,1.9100051641464233,0.2578400452464577,27,4
OADMET-0002111,Nc1ccc([N+](=O)[O-])cc1Cl,2.97,2.324363946914673,0.11775787071596368,34,3
OADMET-0002110,Nc1ccc(Br)cc1,2.0,2.456786584854126,0.08336461866960938,54,3
OADMET-0002109,COc1ccc(N)cc1,2.53,2.3288105487823487,0.05382506985313172,0,0
OADMET-0002108,NCCS(=O)(=O)O,2.515,2.4274078845977782,0.19833239804761144,1251,4
OADMET-0002107,OC1CCCNc2ccc(Cl)cc21,2.6,4.227898597717285,0.16022616896380784,1250,0
OADMET-0002106,NCc1ccccn1,2.02,2.465586519241333,0.06579347170678543,478,3
OADMET-0002105,CN1CCN(c2ccc(N)cc2)CC1,1.86,2.3722422122955322,0.027231321245211396,241,4
OADMET-0002104,NCCc1c[nH]c2ccccc12,2.81,3.031411361694336,0.16960218935110496,14,1
OADMET-0002103,C1COCCN1,3.18,2.4790929317474366,0.21333401726779655,1249,4
OADMET-0002102,CC1CCNCC1,2.82,2.48172550201416,0.12181734921380717,1248,0
OADMET-0002101,Clc1ccc2c(N3CCNCC3)ccnc2c1,3.26,2.441247749328613,0.08311652247964281,460,4
OADMET-0002100,O=C(Nc1ccc(Cl)cc1)C1CCCNC1,3.01,3.525964117050171,0.22916990892627145,1247,1
OADMET-0002099,Oc1ccccc1N1CCNCC1,1.98,2.695918416976929,0.25491468962053637,52,3
OADMET-0002098,NC1CCCCC1,2.05,1.9514159202575683,0.18911405769219297,230,1
OADMET-0002097,NCc1ccc(Cl)cc1,2.67,2.722554159164429,0.13018829306905566,51,2
OADMET-0002096,NCc1cccs1,2.51,1.929688858985901,0.07249430329788079,1246,2
OADMET-0002095,NCc1ccncc1,2.85,2.1434659481048586,0.08544445399220436,51,2
OADMET-0002094,NC1CCCC1,1.93,1.9526092529296875,0.14483435822200963,230,1
OADMET-0002093,O=C(c1cccs1)N1CCNCC1,2.45,2.184906482696533,0.07986673652536318,53,1
OADMET-0002092,C1CCC2(CC1)NCCO2,1.98,2.8153625965118407,0.19058481182211995,1245,1
OADMET-0002091,Cc1ccc(Oc2ccc(CN)cc2)cc1,2.83,2.113086724281311,0.13354527551453502,231,1
OADMET-0002090,C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ccc12,1.91,2.2240652561187746,0.14965510339692073,461,2
OADMET-0002089,CNCc1ccco1,1.95,2.219520330429077,0.1856651379035801,1244,0
OADMET-0002088,COc1ccc(CN2CCNCC2)cc1,2.08,2.914164161682129,0.13170459354194977,81,3
OADMET-0002087,NC1CCCCCC1,2.69,1.8690585613250732,0.18117456212567135,230,1
OADMET-0002086,Nc1ccc(F)cc1F,1.85,2.468288850784302,0.036672836735191054,1243,4
OADMET-0002085,Nc1cccc(Cl)c1,2.71,2.5273622989654543,0.06909122767518437,54,3
OADMET-0002084,Nc1ccc(-c2cccnc2)cc1,1.84,2.6978820323944093,0.035570283689088586,229,0
OADMET-0002083,CCn1c2ccccc2c2cc(N)ccc21,4.28,4.522807693481445,0.10262878090737129,121,0
OADMET-0002082,NCc1ccccc1Cl,2.64,2.194037580490112,0.05795018938853216,228,0
OADMET-0002081,COc1ccc(N)c(OC)c1,3.02,2.759045886993408,0.248596207318736,83,4
OADMET-0002080,COc1ccc(C2(CN)CCOCC2)cc1,3.32,2.3228902339935305,0.09379018515873257,477,0
OADMET-0002079,Nc1ccc(O)cc1,2.07,2.365651512145996,0.22134946819419551,54,3
OADMET-0002078,Nc1ccc(Cl)cc1C(F)(F)F,1.91,2.639351654052734,0.06541334553760515,27,4
OADMET-0002077,Nc1nc2ccc([N+](=O)[O-])cc2s1,2.06,2.8174275875091555,0.18658123301590196,34,3
OADMET-0002076,Cc1ccnc(N)c1,2.9,3.0105936527252197,0.14637837704259737,1242,1
OADMET-0002075,Nc1nnc(-c2ccncc2)s1,2.41,2.310603666305542,0.1287986981835112,1241,1
OADMET-0002074,Cc1cc(C)c(N)c(C)c1,1.82,2.873820686340332,0.08785605719880824,476,2
OADMET-0002073,Nc1ccccc1-c1ccc(Cl)cc1,1.94,2.737390375137329,0.07277993919793617,475,4
OADMET-0002072,Nc1ccccc1N1CCCC1,2.09,3.9784664154052733,0.16893528940748392,241,4
OADMET-0002071,Fc1cccc(CN2CCNCC2)c1,2.72,2.8618278980255125,0.1167990463431173,81,3
OADMET-0002070,O=[N+]([O-])c1ccc(N2CCNCC2)cc1,2.92,2.0811402797698975,0.05269205391150664,227,1
OADMET-0002069,Cc1cc(Br)ccc1N,2.88,2.3919182777404786,0.032399093955037706,474,3
OADMET-0002068,Nc1ccccc1-c1ccccc1,1.87,1.8685691595077514,0.08944460082434322,54,3
OADMET-0002067,OCCNCCO,2.6,2.18301043510437,0.25587703880774193,1240,0
OADMET-0002066,CCOC(=O)c1cccc(N)c1,2.69,2.837553358078003,0.13448849707491406,124,1
OADMET-0002065,Nc1ccc(Cl)c(Cl)c1,2.39,2.2055240631103517,0.16331573911177544,27,4
OADMET-0002064,NCCc1ccccc1,2.12,2.634420156478882,0.062315096287609804,18,4
OADMET-0002063,COc1cc(N)cc(OC)c1,3.96,3.2843743801116942,0.15258581882214695,83,4
OADMET-0002062,Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,2.44,2.9815011024475098,0.24692624555757867,27,4
OADMET-0002061,NC1CCN(Cc2ccccc2)CC1,1.98,2.358349561691284,0.128438771604531,25,2
OADMET-0002060,COc1cc(CN)ccc1O,2.49,2.2972426891326903,0.08926815920489299,82,4
OADMET-0002059,Nc1cc(-c2ccccc2)nn1-c1ccccc1,4.08,4.511763381958008,0.14349140938790858,473,2
OADMET-0002058,CC[C@H](N)c1ccccc1,2.13,1.9510445833206176,0.19006218335922923,19,2
OADMET-0002057,C1CCCNCCC1,1.97,2.372810983657837,0.18569722500156574,472,1
OADMET-0002056,c1cc2c(cc1CN1CCNCC1)OCO2,2.82,2.769623804092407,0.09898735509177635,81,3
OADMET-0002055,c1ccc(N2CCNCC2)nc1,1.94,2.7899112701416016,0.1568037798484512,52,3
OADMET-0002054,c1cnc(N2CCNCC2)nc1,1.83,3.2080265998840334,0.1864681836414834,52,3
OADMET-0002053,Fc1ccccc1N1CCNCC1,2.49,2.5861976146698,0.21541905892514693,24,3
OADMET-0002052,C1CCCNCC1,2.49,2.364776945114136,0.166000752320381,472,1
OADMET-0002051,CCN(CC)CCN,2.01,2.1363031387329103,0.13991699574183383,1239,4
OADMET-0002050,CC(C)(C)c1ccc(CN)cc1,1.88,3.463401460647583,0.1883039019152694,51,2
OADMET-0002049,NCCO,2.86,2.445273780822754,0.16025068114495963,1238,0
OADMET-0002048,CN(C)C1(CN)CCCC1,2.01,2.220649003982544,0.18505606455468332,1237,1
OADMET-0002047,C#CC(C)(C)N,2.01,1.8489992380142213,0.08495782849341259,1236,2
OADMET-0002046,NCC1CCCO1,1.92,2.0202285766601564,0.04365522060199664,1235,3
OADMET-0002045,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl,4.51,4.531773948669434,0.13041680597659044,471,0
OADMET-0002044,Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1,3.73,3.334033250808716,0.11065293825377,470,1
OADMET-0002043,Cc1cc(Br)ccc1NC(=O)CCSc1ccccc1,4.46,4.546170330047607,0.1298387036064886,469,0
OADMET-0002042,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc2C1,5.61,4.980203533172608,0.1898295053552962,29,0
OADMET-0002041,CCC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1,5.03,5.256941890716552,0.18429157988164052,19,2
OADMET-0002040,O=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,3.55,4.551174163818359,0.051757299366833154,56,0
OADMET-0002039,O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(C(=O)c2ccco2)CC1,3.04,3.5272961616516114,0.15776548936777451,53,1
OADMET-0002038,COc1ccc(C(=O)NCCCN2CCOCC2)cc1OC,2.0,2.9115241527557374,0.07447201328160025,16,1
OADMET-0002037,O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,2.98,3.4935339450836183,0.2250711925778762,53,1
OADMET-0002036,CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1,4.09,3.616733741760254,0.07355731874201113,131,2
OADMET-0002035,CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1,4.95,5.334468841552734,0.13573143297964108,226,4
OADMET-0002034,O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1,4.17,3.651332139968872,0.043974463221761545,468,4
OADMET-0002033,CCOc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,3.88,4.129791355133056,0.07150844759590344,130,2
OADMET-0002032,COc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OC,3.89,4.099577236175537,0.059609819714470554,26,0
OADMET-0002031,CN1CCN(C(=O)C2CCCCC2)CC1,1.96,2.3974703788757323,0.12829670262773388,1234,2
OADMET-0002030,O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)C1,4.57,4.395809555053711,0.13642850902555118,80,2
OADMET-0002029,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1,4.37,4.722675895690918,0.06516931683866745,29,0
OADMET-0002028,Cc1ccc(SC(C)C(=O)NCc2cccnc2)cc1,3.95,4.0117593765258786,0.12594876395885932,225,3
OADMET-0002027,O=C(CCc1ccccc1)NCc1cccnc1,2.83,4.173976135253906,0.116847385938829,18,4
OADMET-0002026,O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1,1.95,4.288942527770996,0.21171196701494968,2,3
OADMET-0002025,O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1,3.75,4.392257881164551,0.23655883711986828,224,3
OADMET-0002024,O=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl,3.1,4.84841775894165,0.05254557459941071,33,4
OADMET-0002023,O=C(NCc1ccc(Cl)cc1)c1cnccn1,2.7,3.136472225189209,0.21949012188478076,15,3
OADMET-0002022,COc1cc(C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC,3.85,4.273033332824707,0.14276406623591348,223,4
OADMET-0002021,COc1cccc(OCC(=O)NC2CCCCC2)c1,4.41,4.512233448028565,0.0823620967599154,25,2
OADMET-0002020,COc1ccc(CCCC(=O)NC2CCCCC2)cc1,3.82,4.3782354354858395,0.11051442282488393,129,1
OADMET-0002019,COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1,4.49,4.672640228271485,0.06665693997993938,242,0
OADMET-0002018,CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1,2.36,3.947516345977783,0.14034445876306517,23,3
OADMET-0002017,Cc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C,4.21,4.408385753631592,0.06828206470601547,128,0
OADMET-0002016,COc1ccc(C(=O)N2CCOCC2)cc1Br,2.99,3.742243528366089,0.1318614164454335,16,1
OADMET-0002015,COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1,4.12,4.840176296234131,0.1124691717743258,243,4
OADMET-0002014,O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1,5.29,4.101310539245605,0.08519658760238287,467,4
OADMET-0002013,O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1,4.28,4.503639221191406,0.1336152038331065,466,3
OADMET-0002012,Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1,4.33,4.495955085754394,0.09865510763352645,50,2
OADMET-0002011,COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1,4.46,4.1110920906066895,0.06642075722473711,28,2
OADMET-0002010,O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-],4.87,4.005929613113404,0.07578814672499365,15,3
OADMET-0002009,CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1,3.11,3.91003623008728,0.11250250110566805,465,3
OADMET-0002008,O=C(NCCCN1CCOCC1)C1COc2ccccc2O1,2.27,3.1718014240264893,0.0636016798249063,16,1
OADMET-0002007,CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,4.83,3.472913408279419,0.09302781809981031,464,2
OADMET-0002006,CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,5.19,4.588684177398681,0.20759270092598,15,3
OADMET-0002005,CC(CC(=O)NC1CCCC1)c1ccccc1,4.24,4.921516704559326,0.1563943365320922,127,4
OADMET-0002004,O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1,2.3,4.042967128753662,0.14245028494689616,124,1
OADMET-0002003,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1,2.34,2.9979103088378904,0.13724504423336062,57,0
OADMET-0002002,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,2.58,3.1577048301696777,0.059010565749228645,16,1
OADMET-0002001,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,3.1100000000000003,3.7333882331848143,0.1069944120153363,463,0
OADMET-0002000,O=C(NCCO)c1ccc(Cl)cc1,1.92,2.5379658222198485,0.18451173997202125,15,3
OADMET-0001999,Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl,3.82,3.0869948387146,0.16468148700355392,6,4
OADMET-0001998,COc1ccccc1CNC(=O)c1cccc(N(C)C)c1,4.87,5.159289169311523,0.127821449417702,7,3
OADMET-0001997,COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1,3.61,4.110014915466309,0.1829496993209506,15,3
OADMET-0001996,O=C(NCCCc1ccccc1)c1cccs1,3.0,3.8899277210235597,0.10900062916193463,56,0
OADMET-0001995,O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1,4.32,4.277454090118408,0.11398312319377873,50,2
OADMET-0001994,O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1,3.47,4.219548130035401,0.16098244074464416,48,1
OADMET-0001993,Cc1cccc(C)c1NC(=O)C1CCCCN1C,2.98,4.21317310333252,0.1389468538943989,10,1
OADMET-0001992,O=C(NCC1CCCO1)c1cccc(F)c1,2.95,4.460339450836182,0.05415749137398091,320,1
OADMET-0001991,Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1,4.45,4.711254692077636,0.057519734920557446,222,1
OADMET-0001990,O=C(COc1cccc2ccccc12)N1c2ccccc2CCc2ccccc21,5.29,5.344830894470215,0.2150742710966331,35,0
OADMET-0001989,Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1,4.4,4.626346111297607,0.055144283209633355,462,1
OADMET-0001988,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,1.77,2.5042984008789064,0.10488400359920338,461,2
OADMET-0001987,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,2.45,3.7530404567718505,0.17103363377715272,10,1
OADMET-0001986,O=C(Nc1nnc(C2CC2)s1)c1ccncc1,3.85,2.953305196762085,0.09984289537305244,1233,0
OADMET-0001985,CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C,3.58,4.098091268539429,0.1937658622851041,31,3
OADMET-0001984,O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1,3.41,3.7131232738494875,0.13874050390913292,14,1
OADMET-0001983,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCc2ccccc2C1,4.91,5.083658504486084,0.10053394517743039,78,1
OADMET-0001982,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,4.745,4.421362400054932,0.08921157884516465,10,1
OADMET-0001981,O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,1.81,3.050803470611572,0.08586111847654362,25,2
OADMET-0001980,O=C(CSc1nc2ccccc2s1)Nc1nccs1,4.06,4.854060459136963,0.08901642638569576,120,4
OADMET-0001979,O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1,3.61,3.8471514701843263,0.09961062868633336,460,4
OADMET-0001978,O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1,4.03,4.298939228057861,0.09164861687069906,459,4
OADMET-0001977,COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12,5.42,4.503802680969239,0.06907223593663152,38,0
OADMET-0001976,O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,4.58,4.921135807037354,0.07950989615584612,221,1
OADMET-0001975,COc1ccccc1CNC(=O)c1ccccc1OC,4.78,4.9604541778564455,0.16990539541767313,7,3
OADMET-0001974,Cc1cccc(C)c1NC(=O)CN1CCCC1,3.67,4.24255256652832,0.06332944792165647,10,1
OADMET-0001973,COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1,5.19,4.497196769714355,0.12501732562847412,37,4
OADMET-0001972,Cc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.81,3.5323108673095702,0.1579269289010519,458,0
OADMET-0001971,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1,2.84,2.5779566287994387,0.0546767972261016,123,4
OADMET-0001970,O=C(c1cc(-c2ccco2)on1)N1CCOCC1,2.22,2.4175705432891847,0.08126777596545534,17,0
OADMET-0001969,O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1,4.27,4.333702087402344,0.11292710968248466,457,1
OADMET-0001968,O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,4.48,4.504752159118652,0.1216781462916748,16,1
OADMET-0001967,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,2.18,2.178925609588623,0.22163258371265457,456,3
OADMET-0001966,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,4.59,4.670899868011475,0.07408936619261611,455,4
OADMET-0001965,O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1,2.08,3.652705526351929,0.0611285818191767,50,2
OADMET-0001964,CCc1nc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2nc1CC,4.71,3.7568615913391112,0.1247759925971805,220,0
OADMET-0001963,Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)CC2)c1,4.39,4.1859417915344235,0.08341875096425894,220,0
OADMET-0001962,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,1.84,5.114479732513428,0.09116319949078422,10,1
OADMET-0001961,CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1,3.92,4.239873313903809,0.0719814762182903,454,2
OADMET-0001960,N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,4.84,4.9868824005126955,0.130848876141419,126,2
OADMET-0001958,O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1,1.91,3.4011888027191164,0.17027530756628614,234,1
OADMET-0001957,CCCCCCCCCCCCCCCC(=O)NCCO,1.89,2.2957842350006104,0.14071076132462768,125,0
OADMET-0001956,O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCCC1,1.86,4.706134605407715,0.10779730901640949,34,3
OADMET-0001955,CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1,4.57,4.409350299835205,0.08585232359505976,124,1
OADMET-0001954,CCN(CC)CCNC(=O)COc1ccc(OC)cc1,2.28,2.468636178970337,0.08442275057857783,123,4
OADMET-0001953,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,4.07,3.8514881134033203,0.1380388108554098,82,4
OADMET-0001951,CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,5.95,5.4279097557067875,0.15551148896657502,453,2
OADMET-0001950,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,5.66,5.017418289184571,0.13922590590533832,126,2
OADMET-0001949,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,3.47,3.9476489543914797,0.08377624051513334,1,2
OADMET-0001948,COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,4.48,4.3400976181030275,0.15737477656788593,49,0
OADMET-0001947,O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1,3.6,3.374826955795288,0.08132730451189289,25,2
OADMET-0001946,Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1,4.64,4.557478046417236,0.06655612702888354,452,3
OADMET-0001945,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,1.81,3.103784513473511,0.12857598060074188,16,1
OADMET-0001944,CCN(CC)CC(=O)Nc1c(C)cccc1C,3.13,4.519992733001709,0.08064754748302498,10,1
OADMET-0001943,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1,5.52,5.100871753692627,0.14221891644733664,29,0
OADMET-0001942,COC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,2.82,4.110218667984009,0.07229811634735701,20,2
OADMET-0001941,CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,3.0,4.086133766174316,0.08962664892752834,219,2
OADMET-0001940,O=C(NCCCN1CCOCC1)c1cc(-c2ccc(O)cc2)on1,2.27,2.8103167533874513,0.070890839056026,16,1
OADMET-0001938,Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1,2.19,4.149013042449951,0.1056236723261193,9,2
OADMET-0001937,Cc1c(NC(=O)C(Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-],5.25,5.056778335571289,0.21997060682134587,451,2
OADMET-0001936,Cc1cc(Cl)ccc1OCC(=O)NCc1ccncc1,2.93,3.97080717086792,0.10134936651157853,218,4
OADMET-0001935,COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC,4.99,4.671504402160645,0.0882821738160613,217,2
OADMET-0001934,O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1,5.29,4.726214790344239,0.07633690367864317,79,1
OADMET-0001933,NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1,3.63,4.163340616226196,0.11859951684578311,58,2
OADMET-0001932,O=C(CCSc1ccc(Cl)cc1)N1CCCCCC1,5.37,5.024784564971924,0.14911025597607852,216,0
OADMET-0001931,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1,1.97,3.742858362197876,0.15915699844928255,24,3
OADMET-0001930,CN1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)CC1,3.63,3.342194414138794,0.12762345925394686,235,0
OADMET-0001928,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,5.62,4.620619201660157,0.10914551639022681,36,0
OADMET-0001927,O=C(NC1CCCCCC1)c1cccs1,3.89,4.129868984222412,0.0663249371084662,56,0
OADMET-0001926,O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCCCCC1,5.23,4.85675163269043,0.14711997223776135,78,1
OADMET-0001925,COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1,4.82,4.50457763671875,0.11482259210619047,23,3
OADMET-0001924,O=C(c1c(F)cccc1F)N1CCN(c2ccccc2F)CC1,3.9,4.03730206489563,0.24030366401873268,24,3
OADMET-0001923,O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1,3.4,6.13137378692627,0.08975450103634201,77,0
OADMET-0001922,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,4.98,4.120704936981201,0.08321309148679697,450,1
OADMET-0001921,COc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1,1.84,2.1776365280151366,0.04352330170957546,49,0
OADMET-0001920,Cc1ccccc1C(=O)N1CCc2ccccc2C1,1.78,4.707305431365967,0.09672552313566235,9,2
OADMET-0001919,O=C(Nc1ccccc1)c1ccccc1O,1.88,3.886879539489746,0.13679503630454867,22,1
OADMET-0001918,O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O,4.73,4.783044338226318,0.10641560569579579,22,1
OADMET-0001917,CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl,4.16,4.422251605987549,0.254219286284033,15,3
OADMET-0001916,COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OC,4.95,4.621669292449951,0.1183131864141413,32,4
OADMET-0001914,O=C(CS)Nc1ccccc1,3.88,2.5385027885437013,0.12502369750331283,215,3
OADMET-0001913,O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl,4.875,4.452327251434326,0.0759480310828524,449,1
OADMET-0001912,CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,3.0,2.962756872177124,0.19215206189233905,214,2
OADMET-0001911,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,4.18,3.9857242107391357,0.15410248329702939,214,2
OADMET-0001910,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,2.42,3.5021196365356446,0.13724999475361654,122,2
OADMET-0001909,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,2.415,3.123451995849609,0.1644143704403659,22,1
OADMET-0001908,COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1,4.05,3.839196491241455,0.1356649171413491,23,3
OADMET-0001906,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1,4.25,4.371488094329834,0.09706626948472999,213,3
OADMET-0001905,O=C(CN1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1,2.97,3.1292956352233885,0.15284164040724513,34,3
OADMET-0001904,Cc1cc(C)cc(C(=O)NCc2ccc3c(c2)OCO3)c1,4.84,4.517749500274658,0.1131891642188585,55,4
OADMET-0001903,O=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl,5.16,5.413667869567871,0.09141068467689568,33,4
OADMET-0001902,COc1ccc2cc(C(=O)N3CCc4ccccc4C3)[nH]c2c1,4.7,4.693185901641845,0.10244897734477847,31,3
OADMET-0001901,COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)cc1,4.06,4.789141368865967,0.07547521360912399,448,0
OADMET-0001900,O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,4.81,3.4604467868804933,0.17218287166316049,28,2
OADMET-0001899,CCn1c2ccccc2c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21,4.95,4.638433265686035,0.10535869851187472,121,0
OADMET-0001898,O=C(c1cc2cc(F)ccc2[nH]1)N1CCc2ccccc2C1,5.13,4.653273391723633,0.11443391297422656,31,3
OADMET-0001897,Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C,3.48,4.5747476577758786,0.15889710654184577,76,2
OADMET-0001895,Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21,3.94,4.188320732116699,0.07018229682429,447,4
OADMET-0001894,COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1,5.1,4.779097270965576,0.10105639392212316,1,2
OADMET-0001893,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,1.94,4.592016315460205,0.23067879512936554,212,3
OADMET-0001892,O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1,4.45,4.464626407623291,0.11161279093348354,28,2
OADMET-0001890,CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1,3.37,2.9139220237731935,0.08503738557224405,84,0
OADMET-0001888,COc1ccc(CCNC(=O)c2cnc3scc(C)n3c2=O)cc1OC,4.13,3.7526711940765383,0.07075179842273516,26,0
OADMET-0001887,COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1,4.13,4.680222797393799,0.1702465116607608,23,3
OADMET-0001885,O=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1,3.1,2.891713809967041,0.17396866272782438,47,0
OADMET-0001884,O=C(NC1CCCC1)c1cc2c(ccc3ccccc32)o1,4.2,4.961991500854492,0.13321633251730358,46,3
OADMET-0001883,O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1,4.75,4.589091110229492,0.11120391644092918,79,1
OADMET-0001882,O=C(Nc1ccccc1)c1cc(Cl)ccc1O,1.81,3.882002115249634,0.14371867662497517,22,1
OADMET-0001881,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2O)CC1,4.6,4.184884834289551,0.19190997551301656,24,3
OADMET-0001880,O=C(NCc1ccccn1)c1ccc2ccccc2n1,3.86,4.421136474609375,0.11155913812407808,211,2
OADMET-0001879,O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,3.53,4.866556835174561,0.08826573214426403,135,2
OADMET-0001878,O=C(CSc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2,4.83,4.743361091613769,0.10666005061024462,120,4
OADMET-0001877,Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12,4.88,4.676400852203369,0.10107735789927672,76,2
OADMET-0001876,O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1,3.1,3.201011323928833,0.15597126495292205,48,1
OADMET-0001875,O=C(NCc1cccnc1)c1cnc2sccn2c1=O,1.9,2.818465805053711,0.07124026740263353,33,4
OADMET-0001874,Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1,4.77,4.447128200531006,0.0133539427673883,446,4
OADMET-0001872,C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1,3.92,4.428883266448975,0.23900880032670177,1232,2
OADMET-0001871,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,4.38,4.239912986755371,0.1502940483279288,445,4
OADMET-0001870,O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,4.12,3.913293790817261,0.06539198764799599,48,1
OADMET-0001869,O=C(Nc1ccc(O)cc1)c1ccccc1O,2.54,2.7174762725830077,0.10760735370295789,22,1
OADMET-0001868,O=C(C(Cl)Cl)N1CCOC12CCCCC2,2.84,3.1558950901031495,0.2787956442105525,1231,3
OADMET-0001867,COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1,3.55,4.522157955169678,0.18201957729121754,444,3
OADMET-0001866,COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1,4.54,4.592245483398438,0.14853357579661222,210,4
OADMET-0001865,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO,2.81,2.7690160274505615,0.13162576103155518,133,1
OADMET-0001864,O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1,3.49,3.457418966293335,0.12020084647643971,47,0
OADMET-0001863,CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1,5.06,4.653883457183838,0.1640787559742892,443,2
OADMET-0001862,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,3.27,3.2672017574310304,0.11512845468180126,81,3
OADMET-0001861,O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1,2.01,2.505482625961304,0.1112943524682655,122,2
OADMET-0001859,O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,2.82,4.11529574394226,0.11706111993224114,14,1
OADMET-0001858,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,1.9,3.4404268741607664,0.05264517398009338,77,0
OADMET-0001857,O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O,4.0,3.242592620849609,0.07066606276232162,22,1
OADMET-0001828,Cc1nsc(C=O)c1C(=O)N1CCC2(CCCC2)CC1,4.3,4.389258575439453,0.06800922721035031,1230,0
OADMET-0001827,Cc1cc(C=O)c(O)c(C(=O)N2CCCC(c3cc(C)n[nH]3)C2)c1,3.62,3.72384090423584,0.11425726910157691,1229,1
OADMET-0001826,O=Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,3.42,3.805543231964111,0.05013538552713217,442,1
OADMET-0001825,O=CNc1cccc(NC(=O)NCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1,1.62,3.1183165073394776,0.20216819384775536,1228,2
OADMET-0001824,O=Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1,2.56,3.4114426136016847,0.20337891889233103,15,3
OADMET-0001823,CN(C[C@]12CCC[C@H]1OCC2)c1cccc(O)c1C=O,5.23,4.690643215179444,0.15170631624658928,1227,3
OADMET-0001822,CC(C)c1csc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)n1,4.04,4.621808052062988,0.10324534155165016,402,2
OADMET-0001821,Cc1nn(C)cc1C1CCCN1C(=O)COc1cccc(C=O)c1,4.17,3.9363217830657957,0.10784101695554851,209,4
OADMET-0001820,Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1C=O,4.45,3.7576293468475344,0.14455358581751518,441,0
OADMET-0001819,O=Cc1coc2ccc(Br)cc2c1=O,3.8,3.2330349922180175,0.06279819036098568,1226,4
OADMET-0001818,COc1ccc(OCC(=O)NCc2ccccc2OC)c(C=O)c1,4.05,4.459862804412841,0.08994142000333794,7,3
OADMET-0001817,C=CC(=O)N1CCC(C(=O)N(Cc2cccnc2)Cc2ccccc2C)CC1,3.77,3.7614299297332763,0.06380182850701833,440,0
OADMET-0001816,C=CC(=O)N1CCN(C(=O)CC(O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1,3.99,3.2778168678283692,0.13790757876330886,44,1
OADMET-0001815,C=CC(=O)N(CC)CC(=O)N(CC(=O)NC)CC(C)N1C[C@@H](C)O[C@@H](C)C1,2.81,2.5927830219268797,0.16903699042307566,1225,0
OADMET-0001814,C=CC(=O)N(Cc1ccn(C)n1)c1ccc(C(=O)N2CCC(O)CC2)cc1,3.36,2.808303785324097,0.05980085011042627,408,2
OADMET-0001813,C=CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,4.07,2.5478068351745606,0.16991441603480334,1224,3
OADMET-0001812,C=CC(=O)Nc1ccc(C(=O)N(C)C2CCCc3nc(C)sc32)cc1,3.33,3.767468500137329,0.15913542868778024,118,1
OADMET-0001811,C=CC(=O)NCc1ccc(C(=O)N(C2CC2)C2CC(=O)NC2=O)cc1,1.7,2.3619544982910154,0.18057681080088073,12,0
OADMET-0001810,C=CC(=O)NC1(CNC(=O)C(C)(C)c2c(C)noc2C)CCCCCC1,4.7,4.852485847473145,0.12843200822689665,1223,4
OADMET-0001809,C=CC(=O)N(c1ccc(C2CCOC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1,4.33,4.575148105621338,0.07942596615379245,1222,0
OADMET-0001808,C=CC(=O)Nc1ccc(NC(=O)C(C)n2nc(C)cc2C)c(Cl)c1,4.16,3.5903244972229005,0.07448141002244396,1221,1
OADMET-0001807,C=CC(=O)Nc1ccc(C(=O)NCc2cc(C)ccc2[N+](=O)[O-])cc1,4.63,3.346850633621216,0.0980824045007711,439,4
OADMET-0001806,C=CC(=O)NCc1ccccc1CC(=O)NCCc1nnc2c(=O)[nH]ccn12,1.68,2.7967766761779784,0.07228082551952192,1220,2
OADMET-0001805,C=CC(=O)NC1(CNC(=O)[C@H]2CCCC[C@H]2c2ccccc2)CCOCC1,4.64,4.991780471801758,0.07371990908132924,438,4
OADMET-0001804,C=CC(=O)NC(C)C1CN(C(=O)c2cccc(Cl)c2Cl)CCO1,4.22,4.4578289031982425,0.18431266382340297,1219,3
OADMET-0001803,C=CC(=O)Nc1cccc(CC(=O)NCc2cn(C)nc2-c2cccc(F)c2)c1,4.17,4.452110958099365,0.07033356735586244,73,3
OADMET-0001802,C=CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)c1,3.5,3.9958192348480224,0.06258185271623484,1218,0
OADMET-0001801,C=CC(=O)Nc1ccc(C(=O)NCCCn2ccc(=O)[nH]c2=O)cc1,1.75,2.4105386257171633,0.08991374163023538,437,3
OADMET-0001800,C=CC(=O)N(CC)CC(=O)Nc1ccc(OC)c(C(=O)c2ccccc2)c1,4.53,4.046555900573731,0.04759589108280119,197,2
OADMET-0001799,C=CC(=O)NCC1CCCCC1NC(=O)Cc1csc(C(C)(C)C)n1,5.22,5.063976192474366,0.10481853190484976,208,3
OADMET-0001798,C=CC(=O)NCc1c(Cl)cccc1N(C)Cc1cccnc1,5.25,4.383109092712402,0.13671649749896803,1217,1
OADMET-0001797,C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2CO)cc1,3.59,3.9620425701141357,0.2104744364859345,436,2
OADMET-0001796,C=CC(=O)N1CC(CC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1,4.1,3.1237905979156495,0.08192909227351837,421,1
OADMET-0001795,C=CC(=O)Nc1ccc(C(=O)NCC2(C3=CCOCC3)CCC2)cc1,3.81,4.234165382385254,0.08533841454731332,118,1
OADMET-0001794,C=CC(=O)NC(CNC(=O)c1nnc2ccccc2n1)c1ccc(C(C)C)cc1,5.37,4.558862495422363,0.09044407561802255,1216,2
OADMET-0001793,C=CC(=O)NCC(NC(=O)C1CC=Cc2ccccc21)c1ccc2ccccc2c1,5.21,4.97978572845459,0.13187612216871464,409,3
OADMET-0001792,C=CC(=O)N1CCC(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)CC1,2.25,3.6211893558502197,0.12140151822616595,4,1
OADMET-0001791,C=CC(=O)N1CCC(C(=O)N2CCC=C(c3cnn(C)c3)C2)CC1,1.91,2.013237452507019,0.1685221983520724,75,3
OADMET-0001790,C=CC(=O)N1CCC(C(=O)Nc2ccc3c(ccn3CCC)c2)CC1,2.57,3.2938524723052978,0.18814120964366957,4,1
OADMET-0001789,C=CC(=O)N1CC(CC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)C1,1.73,3.120662498474121,0.07824909826486744,1215,2
OADMET-0001788,C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1,4.67,3.61163125038147,0.10614132039492934,197,2
OADMET-0001787,C=CC(=O)N(C)c1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)O)cc1,3.96,3.5579802989959717,0.18006627401763353,200,0
OADMET-0001786,C=CC(=O)NCc1ccccc1CC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1,4.06,3.6912553787231444,0.11114102579920399,119,0
OADMET-0001785,C=CC(=O)N1CCC(C(=O)NC2COc3c(F)cc(F)cc3C2)CC1,4.09,3.1746048450469972,0.048187807862935014,207,4
OADMET-0001784,C=CC(=O)N(C)CC(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1,3.37,3.531795310974121,0.07845672242304322,13,4
OADMET-0001783,C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2csc(C(C)OC)n2)cc1,3.99,3.5946167945861816,0.10706656844692614,200,0
OADMET-0001782,C=CC(=O)N1CC(C(=O)NCC(C)(O)Cn2cc(Br)cn2)C1,2.35,2.347231960296631,0.1483999274482305,21,4
OADMET-0001781,C=CC(=O)N(C)CC(=O)NCC(c1ccc(OC(C)C)cc1)N(C)C,2.37,4.096294784545899,0.1975241058874065,117,3
OADMET-0001780,C=CC(=O)N1CCC(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1,2.98,2.4613654136657717,0.10044377923979932,4,1
OADMET-0001779,C=CC(=O)NCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21,3.76,3.623389196395874,0.14477569414713778,74,3
OADMET-0001778,C=CC(=O)N1CCC(C(=O)NCc2nnc(CC)s2)CC1,2.28,2.233103942871094,0.08884375326841346,4,1
OADMET-0001777,C=CC(=O)Nc1ccc(CCC(=O)NCC(C)c2nc(C)cs2)cc1,4.13,3.907385778427124,0.09710330348928294,368,3
OADMET-0001776,C=CC(=O)Nc1cccc(CC(=O)NC2CCSc3c(F)cccc32)c1,3.98,4.887997245788574,0.07768815565772946,73,3
OADMET-0001775,C=CC(=O)N(C)CC(=O)N1CCCC(NC(=O)c2cc3ccccc3o2)C1,3.43,3.5572431564331053,0.12753930675274955,46,3
OADMET-0001774,C=CC(=O)Nc1ccc(CC(=O)N2CC3(CCOCC3)CC2C)cc1,4.45,3.9677035331726076,0.12408082485292202,435,1
OADMET-0001773,C=CC(=O)N(Cc1cc2c(cc1OC)CC(C)O2)Cc1ccsc1C,5.81,4.8824567794799805,0.07519382239633031,1214,3
OADMET-0001772,C=CC(=O)N1CC(CC(=O)NC(C)COc2ccc(C)cc2)C1,2.82,3.1153112411499024,0.1282618085717352,1213,4
OADMET-0001771,C=CC(=O)Nc1ccc(C(=O)NCCOC2(C)CCOCC2)cc1,3.87,3.3016180992126465,0.0484259202759645,12,0
OADMET-0001770,C=CC(=O)N1CCCC(C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1,1.94,3.2253457069396974,0.1010407923311474,115,0
OADMET-0001769,C=CC(=O)Nc1ccc(C(=O)N(C)CC2(C)CCCO2)cc1,3.52,4.1728644371032715,0.15114186679593716,118,1
OADMET-0001768,C=CC(=O)Nc1ccc(C(=O)N=c2sccn2Cc2ccccc2)cc1,4.19,3.723694372177124,0.09197150247277099,1212,0
OADMET-0001767,C=CC(=O)N1CCC(C(=O)N2CCCc3sc(Br)cc3C2)CC1,5.25,3.5606471061706544,0.29978646217357485,75,3
OADMET-0001766,C=CC(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC,4.28,3.0581773281097413,0.15550516368707273,1211,3
OADMET-0001765,C=CC(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1,3.9,3.3680041790008546,0.1446870715980041,1210,4
OADMET-0001764,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1,3.76,3.303579807281494,0.17109154933541584,206,1
OADMET-0001763,C=CC(=O)N1CCC(C(=O)NC2CCN(S(=O)(=O)CCC)CC2)CC1,1.88,2.54264349937439,0.03961547051140299,21,4
OADMET-0001762,C=CC(=O)NCCC(=O)N1CCc2c(ccc(Br)c2F)C1,4.26,4.057134532928467,0.08704816501456711,8,4
OADMET-0001761,C=CC(=O)NCc1ccc(C(=O)NCC2(C)COc3ccccc3O2)cc1,4.1,4.0629785537719725,0.09759977178624976,12,0
OADMET-0001760,C=CC(=O)N(C)CC(=O)NC(C)(CC)c1nc2c(c(=O)[nH]1)CCCC2,3.47,3.6596281051635744,0.08475853179351657,1209,3
OADMET-0001759,C=CC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1,3.4,2.615465688705444,0.10335955095300518,45,0
OADMET-0001758,C=CC(=O)NCc1ccc(C(=O)Nc2ncc(C3(O)CCC3)s2)cc1,1.71,3.438682270050049,0.11939898054044426,12,0
OADMET-0001757,C=CC(=O)Nc1ccc(C(=O)NC(c2ncccn2)C2CC2)cc1,3.25,3.804807662963867,0.03039474728085659,1208,4
OADMET-0001756,C=CC(=O)N1CCC(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)CC1,2.94,2.725014019012451,0.04961265443629973,205,3
OADMET-0001755,C=CC(=O)NCCC(=O)N1CCCC1(C)Cc1ccc(Cl)c(Cl)c1,6.37,5.013680076599121,0.07206626765381471,434,4
OADMET-0001754,C=CC(=O)Nc1cc(NC(=O)C23CCN(C2)S(=O)(=O)C3)ccc1F,3.04,3.4603901386260985,0.08507432018338261,45,0
OADMET-0001753,C=CC(=O)NC(C)C1CCN(C(=O)CC2COc3ccccc3O2)CC1,4.63,4.281726741790772,0.10061463049976883,1207,2
OADMET-0001752,C=CC(=O)NC1CCN(Cc2ccc(OC)cc2OC)C1=O,3.33,3.7353237152099608,0.08051546369195975,433,0
OADMET-0001751,C=CC(=O)N(CCc1c(C)noc1C)Cc1cc(Cl)cs1,4.62,4.36874361038208,0.0786686059466439,1206,4
OADMET-0001750,C=CC(=O)N1CC(CC(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)C1,3.27,3.5141154766082763,0.1311511498961659,1205,1
OADMET-0001749,C=CC(=O)N(C)CC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1,1.65,2.513727617263794,0.05469484071622794,412,3
OADMET-0001748,C=CC(=O)NCCc1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1,4.89,4.983646488189697,0.07476097853818034,432,4
OADMET-0001747,C=CC(=O)NCc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1,3.91,2.1372848033905028,0.10701704339997094,429,2
OADMET-0001746,C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1,2.6,3.0623928546905517,0.16135554612846228,8,4
OADMET-0001745,C=CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1,3.87,3.632169246673584,0.13101861505636703,204,2
OADMET-0001744,C=CC(=O)NCCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1,2.14,3.0996707916259765,0.08374281249124142,8,4
OADMET-0001743,C=CC(=O)N(C)CC(=O)N1CCOC(c2ccc(Cl)s2)C1,4.11,3.35630259513855,0.08845155995869328,13,4
OADMET-0001742,C=CC(=O)N(CC)CC(=O)NCC(C)(C)C1(O)CCCOC1,2.94,2.7415780544281008,0.09279564508497393,1204,2
OADMET-0001741,C=CC(=O)N(CC)CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1,2.45,2.2678239345550537,0.045929667510977726,116,2
OADMET-0001740,C=CC(=O)N1CCC(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1,2.82,3.045126485824585,0.08585097719267118,21,4
OADMET-0001739,C=CC(=O)N(C)CC(=O)N1CCN(c2cccc(Br)c2)CC1,3.59,2.8641979694366455,0.11204626587261282,13,4
OADMET-0001738,C=CC(=O)N(C)CC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1,5.09,4.402778244018554,0.11507027424148396,1203,1
OADMET-0001737,C=CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1,3.99,4.732046127319336,0.11028266681284386,116,2
OADMET-0001736,C=CC(=O)NCc1ccc(C(=O)N2COC[C@@]3(COC[C@@H]4CCCN43)C2)cc1,3.05,3.061911630630493,0.20810511634566323,12,0
OADMET-0001735,C=CC(=O)N(Cc1cnn(CC)c1)Cc1ccc(C2CC2C)o1,4.27,4.497679615020752,0.17197427094575365,178,3
OADMET-0001734,C=CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1,4.53,4.323717403411865,0.09605195787059835,73,3
OADMET-0001733,C=CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1,3.44,3.671729040145874,0.12059670226909079,12,0
OADMET-0001732,C=CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(F)c(Br)c3)C2)cc1,4.38,4.423459053039551,0.05901272336085789,1202,0
OADMET-0001731,C=CC(=O)N(C)CC(=O)NC(C)c1ccc(-c2nn[nH]n2)cc1,2.75,2.346469259262085,0.07597777719439269,431,3
OADMET-0001730,C=CC(=O)N(C)c1ccc(C(=O)N2CCN(c3cccc(F)c3F)CC2)cc1,3.26,3.6035658359527587,0.18310329345026907,24,3
OADMET-0001729,C=CC(=O)Nc1ccc(CCC(=O)N2CCS(=O)C(C)(C)CC2)cc1,3.67,3.563720226287842,0.13254054732442885,1201,3
OADMET-0001727,C=CC(=O)N(CC)CC(=O)N1CCN(C2CCCOC2)CC1,2.54,2.200393009185791,0.05183766610025948,116,2
OADMET-0001726,C=CC(=O)N1CCC(C(=O)N2CCCC2Cn2cnc3ccccc32)CC1,3.35,3.069919538497925,0.08142145228161812,72,1
OADMET-0001725,C=CC(=O)N(Cc1cc(C(N)=O)cs1)C[C@H]1CCO[C@@H]1c1cnn(C)c1,2.55,3.0265199661254885,0.15853474447953506,1200,1
OADMET-0001724,C=CC(=O)N(Cc1cnn(C)c1C)CC1(c2cccc(F)c2)CCOCC1,4.6,4.66116304397583,0.0797350613348758,1199,0
OADMET-0001723,C=CC(=O)N(Cc1cnc(C(C)(C)C)nc1)c1ccc(NC(=O)CC)cc1,4.07,3.225936031341553,0.15091998720268848,1198,2
OADMET-0001722,C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cc3sc(=O)n(C)c3cc2C)c1,3.87,3.2986167907714843,0.11574030406174733,1197,1
OADMET-0001721,C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1,3.91,2.858363485336304,0.07955755378169893,203,4
OADMET-0001720,C=CC(=O)NCCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1,3.44,3.936049699783325,0.21636345891188516,8,4
OADMET-0001719,C=CC(=O)NCCC(=O)N1C[C@H](CO)[C@@H](c2cnn(C)c2)C1,1.67,2.5050047874450683,0.06740921112202171,202,1
OADMET-0001718,C=CC(=O)Nc1ccccc1CC(=O)N1CCCC1C(=O)N(C)C,4.08,4.018957710266113,0.08670503296416945,430,2
OADMET-0001717,C=CC(=O)NCc1ccc(C(=O)N2CCN(C3=NCCS3)CC2)cc1,3.36,2.153652286529541,0.07963725138998337,8,4
OADMET-0001716,C=CC(=O)N1CCCC1C(=O)NCc1noc2c1CC(C)CC2,4.04,4.068427562713623,0.14122528458389566,1196,0
OADMET-0001715,C=CC(=O)NCc1ccc(C(=O)NCCc2cnc3ccccc3c2)cc1,3.41,3.707573652267456,0.07267437434288003,201,0
OADMET-0001714,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1,1.72,3.615341234207153,0.18782726892065452,206,1
OADMET-0001713,C=CC(=O)NCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1,3.49,3.1564456462860107,0.05899581383277185,429,2
OADMET-0001712,C=CC(=O)N(C)c1ccc(C(=O)N(C)c2nnc(C)s2)cc1,2.66,2.240958404541016,0.043781440829058486,200,0
OADMET-0001711,C=CC(=O)N(C)CC(=O)N1CCN(Cc2cc3c(s2)CCCC3)CC1,1.62,2.6358001708984373,0.08870329284159544,13,4
OADMET-0001710,C=CC(=O)NCCc1noc(COc2ccc(Cl)cc2)n1,4.45,3.2954121589660645,0.07445683194220265,1195,2
OADMET-0001709,C=CC(=O)N(CC)CC(=O)N1CCCC1c1nc(-c2ccccc2Cl)c[nH]1,4.56,4.286262321472168,0.10029803243801927,428,1
OADMET-0001708,C=CC(=O)N1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,2.43,2.402067852020264,0.053156397412635205,72,1
OADMET-0001707,C=CC(=O)NCCC(=O)N1CCC(O)(c2scnc2Br)CC1,2.81,2.718093252182007,0.1177344124560885,8,4
OADMET-0001695,CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccsc1C=O,4.44,4.112267923355103,0.16953816830687585,1194,1
OADMET-0001694,O=Cc1c(-c2ccc(Br)s2)nc2ccccn12,3.67,4.2357659339904785,0.1480983430135794,1193,3
OADMET-0001693,CCSc1nnc(SCc2cc(C=O)ccc2OC)s1,4.52,4.375879955291748,0.038055439100513046,407,1
OADMET-0001692,O=Cc1c(O)ccc2cc(OP(=O)(O)O)ccc12,1.89,2.2273799896240236,0.05760634663444228,1192,1
OADMET-0001691,CNC(=O)C(NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1,3.47,3.676464080810547,0.1001289656469715,427,1
OADMET-0001690,O=Cc1ccc(C(=O)NCc2noc(-c3ccc(Cl)cc3F)n2)[nH]1,3.91,3.6864171028137207,0.09812392825064006,1191,4
OADMET-0001689,O=Cc1ccc2cc(Cl)cc(Br)c2n1,3.28,4.489974403381348,0.0508827372466886,1190,1
OADMET-0001688,COC(=O)c1[nH]c2ccc(Br)cc2c1C=O,3.48,4.007354211807251,0.0708928375674893,1189,4
OADMET-0001687,Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=O,4.18,3.8870631217956544,0.05369806969438765,193,1
OADMET-0001686,O=Cc1ccc(-c2ncccc2OCCc2ccccn2)cc1,4.5,3.541896677017212,0.09932318724053789,1188,4
OADMET-0001685,O=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1,2.27,2.6431663990020753,0.10513386160168815,1187,2
OADMET-0001684,COc1ccc(C(C)=O)cc1COc1c(C)cc(C=O)cc1C,3.91,4.325129604339599,0.07715723184351894,1186,1
OADMET-0001683,O=Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)[nH]1,4.58,5.104136848449707,0.023882804237307126,1185,4
OADMET-0001682,Cc1c(C=O)c2ccccn2c1CCc1ccncc1,4.63,3.420725107192993,0.20697376748090016,1184,0
OADMET-0001681,CC1CCN(c2ccc(F)cc2F)CCN1c1ncc(C=O)cn1,4.09,3.845068120956421,0.10024561546769402,404,3
OADMET-0001680,Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C=O,4.31,4.181016349792481,0.05450507498393959,193,1
OADMET-0001679,Cc1cccc(C)c1NC(=O)C(CC(C)C)n1cccc1C=O,5.43,4.438724517822266,0.22352404449995636,1183,3
OADMET-0001678,O=Cc1ccc(Oc2ccc(Br)cc2)nc1,2.37,2.6406141757965087,0.0980149122804588,1182,2
OADMET-0001677,NC(=O)C1CCCN1c1nc2ccccn2c1C=O,2.97,2.8661983966827393,0.057789015973251694,1181,4
OADMET-0001676,O=Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,3.94,4.377414703369141,0.08861617483083484,11,3
OADMET-0001675,Cc1ccccc1-n1cc(-c2c[nH]c(C=O)c2)nn1,3.46,4.400638484954834,0.060816585255889066,1180,2
OADMET-0001674,C=CC(=O)N(Cc1cc(CC)no1)Cc1sncc1Br,3.81,4.114890146255493,0.1640547661092599,1179,3
OADMET-0001673,C=CC(=O)NCCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21,2.73,3.6661457061767577,0.12361239517608857,1178,3
OADMET-0001672,C=CC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)CC(C)S(C)=O,3.35,3.4581863403320314,0.030419855011422043,1177,2
OADMET-0001671,C=CC(=O)N1CCN(C(=O)c2csc(N=S(C)(=O)N(C)C)n2)[C@@H](C)C1,3.66,2.641903877258301,0.10084123938655477,44,1
OADMET-0001670,C=CC(=O)NC[C@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@@H]1OCC,4.5,4.250599575042725,0.1874068304235998,1176,1
OADMET-0001669,C=CC(=O)N1CC(C(=O)NC(CC)CC)Oc2ccccc21,3.72,3.9552226066589355,0.1618257440245244,426,2
OADMET-0001668,C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cnc(C3CCCO3)s2)C1,3.49,4.278067970275879,0.07926864377972634,422,3
OADMET-0001667,C=CC(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1,4.56,3.7558770179748535,0.08967952692096365,1175,2
OADMET-0001666,C=CC(=O)N1CCC(C(=O)NC(CCO)c2cccs2)CC1,1.76,2.589009094238281,0.08833498641341635,199,4
OADMET-0001665,C=CC(=O)NCCC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1,2.36,2.162446665763855,0.1728020378462388,1174,3
OADMET-0001664,C=CC(=O)N1CCN(C(=O)C2CCCN(c3nc(C)cs3)C2)[C@@H](C)C1,3.43,3.107361888885498,0.11929847922495698,44,1
OADMET-0001663,C=CC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)[C@@H](C)C1,1.89,2.614317750930786,0.09421294635936789,44,1
OADMET-0001662,C=CC(=O)N(C)CC(=O)Nc1nn(-c2ncccc2F)cc1C,3.14,3.6841161251068115,0.09188896936734682,1173,1
OADMET-0001661,C=CC(=O)Nc1cccc(CC(=O)N2CCC(O)(c3ccc(F)c(F)c3)CC2)c1,4.26,4.543119144439697,0.1031226294750241,73,3
OADMET-0001660,C=CC(=O)NCC1(NC(=O)c2cccc(CNC(C)=O)c2)CCCCC1,3.33,4.424761962890625,0.15172655265203364,1172,3
OADMET-0001659,C=CC(=O)Nc1cccc(C(=O)N2CCC3=NS(=O)(=O)NC=C3C2)c1,1.7,2.4883706092834474,0.11960919308173901,416,2
OADMET-0001658,C=CC(=O)Nc1ccc(CC(=O)N2CCn3c(n[nH]c(=O)c3=O)C2)cc1,2.2,2.0254987239837647,0.10339770993624983,1171,0
OADMET-0001657,C=CC(=O)N1CCCC(C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)C1,1.66,2.891853141784668,0.12717268956590616,425,0
OADMET-0001656,C=CC(=O)N1CCC(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)CC1,2.5,2.604912614822388,0.07409624574753802,424,4
OADMET-0001655,C=CC(=O)NCCC(=O)N1CCCC(c2nc3c(s2)CCC3)C1,4.11,4.565363502502441,0.20286366476699635,423,3
OADMET-0001654,C=CC(=O)NCc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1,3.66,3.3487107276916506,0.13529291058655465,1170,4
OADMET-0001653,C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1,1.88,4.505528450012207,0.12047804322764771,422,3
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OADMET-0001651,C=CC(=O)N(CCc1cn(C)nn1)CC1CCC(C)(C)CC1,4.37,4.231108093261719,0.1120455596217393,1168,4
OADMET-0001650,C=CC(=O)N1CCC(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1,2.86,3.6784231662750244,0.10192818251150891,4,1
OADMET-0001649,C=CC(=O)NC(Cc1ccccc1)c1nc(-c2ccncc2)no1,3.95,3.9878000259399413,0.13928385064423723,415,1
OADMET-0001648,C=CC(=O)N(C)CC(=O)N1CCC2(CC1)Cc1cc(OC)ccc1C2=O,2.64,3.4606027603149414,0.07627699432877239,13,4
OADMET-0001647,C=CC(=O)N1CCC(C(=O)Nc2cnn(C(C)C3CC3)c2)CC1,3.33,3.0440332889556885,0.16023167265880914,4,1
OADMET-0001646,C=CC(=O)N(CC1=CCCCC1)Cc1cc(-c2ccc(Cl)cc2)on1,4.22,4.59299955368042,0.09421071136477806,1167,3
OADMET-0001645,C=CC(=O)N1CCCC(C(=O)N=S(C)(=O)c2cccc(Cl)c2)C1,4.45,3.8158257484436033,0.16593695785449145,419,1
OADMET-0001644,C=CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)[C@@H](C)C1,2.51,2.4122520446777345,0.07452093565584493,44,1
OADMET-0001643,C=CC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl,4.1,3.90327730178833,0.15106490578203166,1166,2
OADMET-0001642,C=CC(=O)N1CCC(C(=O)NC(C)c2n[nH]c(CC)n2)(c2ccccc2)CC1,4.24,3.95224666595459,0.11496667920087854,198,1
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OADMET-0001640,C=CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](c2nc3ccccc3o2)CC1,2.23,3.517930030822754,0.1561854500805161,46,3
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OADMET-0001637,C=CC(=O)Nc1cnn(C(C)c2nnc3n2CCCCC3)c1,3.62,3.997173547744751,0.09186337864636475,1165,3
OADMET-0001636,C=CC(=O)N1CCC[C@@H](C(=O)NCCc2cnc3c(Cl)cnn3c2)C1,3.15,2.595332956314087,0.14234736709954673,71,0
OADMET-0001635,C=CC(=O)N1CC(C(=O)N(CCCC)Cc2nc3ccccc3c(=O)[nH]2)C1,3.63,3.249730348587036,0.04883642739160905,1164,0
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OADMET-0001633,C=CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1OC(C)C,4.18,4.733318710327149,0.09395077226302374,117,3
OADMET-0001632,C=CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3CC)c2)C1,2.45,2.4200218677520753,0.09436783652776823,4,1
OADMET-0001631,C=CC(=O)Nc1cc(NC(=O)c2nc(C3CC3)oc2C)ccc1F,4.35,4.0011719226837155,0.06219726524200401,45,0
OADMET-0001630,C=CC(=O)N1CCC(C(=O)N2CCCC(C)CC2)(c2ccccc2)CC1,5.82,4.845325946807861,0.10549041672229337,198,1
OADMET-0001629,C=CC(=O)N1CC(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1,3.27,2.8087107658386232,0.13963865069231882,421,1
OADMET-0001628,C=CC(=O)N(C)CC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1,3.48,3.3026878356933596,0.0776052905323419,13,4
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OADMET-0001625,C=CC(=O)N1CCC(C(=O)Nc2nc3c(o2)CCCC3)CC1,2.97,2.8188586235046387,0.14440908498896782,4,1
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OADMET-0001623,C=CC(=O)N(C)CC(=O)Nc1cc(N2CCC3(CCC3)C2)c(Cl)cn1,4.87,4.045411872863769,0.06721583472904273,420,2
OADMET-0001622,C=CC(=O)N(C)CC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1,4.2,4.2398881912231445,0.16112352866039767,1161,4
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OADMET-0001620,C=CC(=O)Nc1cc(F)cc(NC2CCN(S(C)(=O)=O)CC2)c1,3.85,3.8733723640441893,0.2541163340926974,1160,3
OADMET-0001619,C=CC(=O)N(Cc1nc2c(s1)CC(C)CC2)[C@@H](CC)CO,5.05,4.756275844573975,0.04529953802168927,1159,2
OADMET-0001618,C=CC(=O)NCC(=O)NCC1(c2cccc(Cl)c2F)CCCC1,4.88,4.561207485198975,0.11604482906903121,1158,1
OADMET-0001617,C=CC(=O)Nc1cc(NC(=O)Cc2ccc(O)c(OC)c2)ccc1F,3.92,3.900136613845825,0.07263016909821174,45,0
OADMET-0001616,C=CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c3c(c2)OCCCO3)cc1,4.34,3.9688854217529297,0.1076274648910663,418,1
OADMET-0001615,C=CC(=O)N1CCC(C(=O)NCc2cc3c(cc2OC)OCO3)C1,2.79,2.622715473175049,0.0763779732414253,71,0
OADMET-0001614,C=CC(=O)N(Cc1oc(CC)nc1C)Cc1sc2ccccc2c1C,3.88,4.731302642822266,0.07113351949648139,1157,0
OADMET-0001613,C=CC(=O)NCCC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1,4.08,3.551354169845581,0.08372889291669551,8,4
OADMET-0001612,C=CC(=O)N(C)CC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1,3.53,3.2413217544555666,0.05293192205756334,13,4
OADMET-0001611,C=CC(=O)N[C@@H]1CN(C(=O)Cn2nnc(C3CC3)n2)C[C@H]1CC(C)(C)C,4.25,3.725739622116089,0.0843992151331645,1156,4
OADMET-0001610,C=CC(=O)NC1CCCOC1C1CCN(C(=O)CCCc2sccc2C)CC1,5.01,4.182573413848877,0.0864585523915682,1155,3
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OADMET-0001608,C=CC(=O)Nc1cccc(C(=O)N2CCS(=N)(=O)c3ccccc32)c1,3.98,4.311702537536621,0.08858064760184478,416,2
OADMET-0001607,C=CC(=O)N1CCC(C(=O)NCc2nnc3ccc(N(C)C)nn23)CC1,2.28,2.422538709640503,0.11268387065784996,4,1
OADMET-0001606,C=CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1,3.99,3.712005281448364,0.13567869290018802,415,1
OADMET-0001605,C=CC(=O)Nc1ccc(O)c(C(=O)N(C)C(C)C(=O)NC(C)(C)C)c1,4.21,4.16877965927124,0.19222050427149176,413,3
OADMET-0001604,C=CC(=O)NCc1ccc(C(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1,2.68,3.4502079486846924,0.09425180354084045,8,4
OADMET-0001602,C=CC(=O)N1CCCC(C(=O)NCc2cc(=O)nc(SC)[nH]2)C1,1.77,2.26971492767334,0.10273161946272863,71,0
OADMET-0001601,C=CC(=O)N[C@H]1CN(C(=O)Cc2noc3ccc(F)cc23)C[C@@H]1C1CC1,3.52,4.294530296325684,0.12014075046002667,1154,2
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OADMET-0001578,C=CC(=O)N1CC(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C(C)C)C1,3.58,3.761957359313965,0.13805126382044813,4,1
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OADMET-0001576,C=CC(=O)N1CCCC(C(=O)N2CCCC(c3ocnc3C(=O)OC)C2)C1,2.7,2.921268367767334,0.10199666433031948,115,0
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OADMET-0001573,C=CC(=O)Nc1cccc(CC(=O)NCc2nnc(S)n2CC)c1,2.61,2.8201724529266357,0.15915862251990157,73,3
OADMET-0001572,C=CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C3CCOC3)cn2)C1,2.37,3.2006572246551515,0.1816887138917089,1144,2
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OADMET-0001570,C=CC(=O)N1Cc2ccccc2CC1CNC(=O)C1=NOC(c2ccccc2)C1,4.63,4.508024120330811,0.13714124598398572,1143,1
OADMET-0001569,C=CC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1,4.28,3.8257572650909424,0.14793739882654847,208,3
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OADMET-0001567,C=CC(=O)N1CCC(C(=O)N2CCC(n3cc(C(=O)OC)nn3)C2)CC1,1.85,2.31473445892334,0.0679549017398353,72,1
OADMET-0001566,C=CC(=O)NC(C)c1nc(-c2ccc(Cl)cc2)c(C)s1,4.66,4.645463943481445,0.06332937703943668,410,0
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OADMET-0001563,C=CCc1ccc(OCCOc2ccc(C=O)cc2)c(OC)c1,3.97,3.8618024826049804,0.0932275602219748,194,0
OADMET-0001562,C=CC(=O)N1CC2(CCC(CNC(=O)C(C)Oc3ccc(C)cc3C)O2)C1,4.52,4.462908744812012,0.06431741477486108,1142,0
OADMET-0001561,C=CC(=O)NCC(NC(=O)c1ccc2c(c1)CNC2=O)c1ccc2ccccc2c1,3.95,4.273904323577881,0.060720213962585756,409,3
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OADMET-0001557,C=CC(=O)N(Cc1ccnn1CC1CCC1)c1cccc(CO)c1,4.81,4.035768747329712,0.06407074005596283,1141,4
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OADMET-0001555,C=CC(=O)N1CC(C(=O)N[C@H]2COC[C@H]2Oc2cnn(-c3ccccc3)c2)C1,3.25,2.6752026081085205,0.1727572898889729,1140,3
OADMET-0001554,C=CC(=O)Nc1ccc(C(=O)N2CCS(=O)CC2c2cnn(C)c2)cc1,2.02,2.666030263900757,0.08420769725052384,1139,2
OADMET-0001553,C=CC(=O)N1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)[C@@H](C)C1,2.96,2.8428444862365723,0.14565874086690017,44,1
OADMET-0001552,C=CC(=O)NC(C)(C)CC(C)(NCCc1cnn(C)c1C)c1nnnn1C1CCCC1,4.64,4.61113805770874,0.12658139389197015,1138,1
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OADMET-0001550,O=Cc1c(Cl)nc(Oc2ccccc2)n1-c1ccccc1,5.04,4.277844524383545,0.12174643913886635,1136,3
OADMET-0001549,O=Cc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1,2.58,3.42769832611084,0.060815539596176235,379,4
OADMET-0001548,O=Cc1sc(N2CCCCC2)nc1-c1cccs1,4.7,4.978249740600586,0.13622284020225195,1135,2
OADMET-0001547,Cc1cccn2c(=O)c(C=O)c(Sc3ncccn3)nc12,3.25,4.821807861328125,0.13256549781931593,405,4
OADMET-0001545,Nc1c(C=O)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1,1.69,2.381351184844971,0.19522655120358695,1134,1
OADMET-0001544,O=Cc1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,2.68,2.660498046875,0.08304314985350013,1133,2
OADMET-0001543,COc1ccc(C=O)cc1Cn1ncc(Cl)c(Cl)c1=O,4.2,3.883391284942627,0.10246964902235249,407,1
OADMET-0001542,CC1CN(C(=O)c2csc(C=O)c2)CC(C)O1,1.68,2.0702418088912964,0.1700425827482844,1132,3
OADMET-0001540,CCOC(=O)c1cccc2nc(C=O)c([N+](=O)[O-])n12,3.37,2.5807679653167725,0.056222380226734196,1131,4
OADMET-0001539,O=Cc1c(Oc2ccc3c(c2)OCO3)nc2ccccn2c1=O,3.34,3.2190170288085938,0.11274682766546279,1130,2
OADMET-0001538,CC(C)c1nn(C(C)(C)C)c(O)c1C=O,4.12,4.1756421566009525,0.14163272091117812,1129,1
OADMET-0001537,O=Cc1cc(F)c(OCc2cn(-c3ccc(Cl)cc3)nn2)c(F)c1,3.49,3.9688673973083497,0.1023041428879274,1128,0
OADMET-0001536,Cc1cc(C)n(CC(C)CNC(=O)COc2ccccc2C=O)n1,4.82,4.044414901733399,0.01808201906052815,406,0
OADMET-0001535,O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)o1,4.87,4.756000995635986,0.09184152260434642,1127,4
OADMET-0001533,O=Cc1ccc(CC(=O)NCCCCc2ccc(Cl)s2)[nH]1,5.2,3.597248363494873,0.18985104436194833,1126,3
OADMET-0001532,O=Cc1ccc(OCC(=O)NC2CCCc3ccccc32)cc1,4.67,3.990821886062622,0.08665118421662255,195,2
OADMET-0001531,O=Cc1nn(C2CCCCO2)nc1Br,3.29,3.7674681663513185,0.1501073873954706,1125,2
OADMET-0001530,O=Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2)o1,3.87,2.972781181335449,0.10131480670387102,1124,1
OADMET-0001529,Cc1cc(C=O)cc2c1OC1(C=C2)Oc2ccccc2C(=O)N1C,5.1,4.385616683959961,0.14534667710875107,1123,0
OADMET-0001528,Cc1ccccc1Nc1nc(Cl)c(C=O)s1,4.56,4.087456798553466,0.041319601948272944,1122,4
OADMET-0001527,Cc1ccccc1C1CN(c2ccc(C=O)cn2)CCO1,3.79,3.5353886127471923,0.17082414315473535,1121,3
OADMET-0001526,O=Cc1sc(=NS(=O)(=O)c2ccc(F)cc2)n(-c2ccccc2)c1Cl,3.53,4.880171203613282,0.10178850269136083,1120,2
OADMET-0001525,COc1cc(C=O)ccc1OCC(=O)NC1CCCc2ccccc21,4.91,4.47736349105835,0.05666775389289386,195,2
OADMET-0001524,COc1cncc(CNC(=O)CCOc2ccc(C=O)cc2OC)c1,3.01,2.886311340332031,0.13067863253594014,194,0
OADMET-0001522,O=Cc1ccccc1S(=O)(=O)N1CCCCC1CCn1ccnn1,4.53,4.5470662117004395,0.18022803479572663,1119,1
OADMET-0001520,CC1CC(C)CN(CC(C)NC(=O)c2cc(Br)c(C=O)n2C)C1,4.55,3.8566911220550537,0.16248439595450284,1118,0
OADMET-0001519,CCC(CC)c1nnc(NC(=O)c2cc(C=O)[nH]c2C)s1,3.81,3.808925676345825,0.19581469160766302,1117,3
OADMET-0001518,O=Cc1cc(Cl)cnc1Sc1ccncn1,3.66,3.0901670455932617,0.15053090598978142,1116,4
OADMET-0001517,Cn1cc(C=O)cc1C(=O)NC(Cn1ccnc1)c1ccccc1,3.1,4.0585065364837645,0.10885254428052317,1115,2
OADMET-0001516,Cc1ccc2cc(C=O)c(N3CCCCC3)nc2c1,4.79,5.082336807250977,0.11327347124705821,1114,1
OADMET-0001514,CCOC(=O)c1c(Nc2ccccc2)sc(C=O)c1Cl,4.53,4.856482696533203,0.035047577943056976,1113,0
OADMET-0001513,Cc1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=O,4.98,4.9906261444091795,0.026143454209495022,193,1
OADMET-0001512,CC1(Cn2cc(-c3cncc(C=O)c3)nn2)COC1,1.82,3.177919054031372,0.09830404425444336,1112,4
OADMET-0001511,CN(C(=O)c1cc(C=O)ccc1F)C(c1ccccc1)c1nnc[nH]1,3.62,3.921377086639404,0.12436073527429256,1111,3
OADMET-0001510,COc1ccc2nc(O)c(C=O)cc2c1,1.67,2.2332415103912355,0.05217451673955696,1110,2
OADMET-0001509,O=Cc1csc(COc2ccc(Cl)cc2)n1,2.86,3.419364500045776,0.09595819939499632,1109,1
OADMET-0001508,O=Cc1ccccc1OCCOc1ccc(Cl)c2cccnc12,4.58,4.449982070922852,0.17939044200855842,1108,0
OADMET-0001507,Cc1cc(C=O)c(C)n1-c1ccc(F)c(F)c1F,4.61,4.32461404800415,0.030979833402038855,1107,4
OADMET-0001506,COc1cc(C=O)ccc1OCc1ncc(C)c(OC)c1C,4.47,3.481888198852539,0.11477945161591618,194,0
OADMET-0001505,Cc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12,3.86,4.280447387695313,0.10021342778865337,405,4
OADMET-0001504,O=Cc1nc2ccccc2n1Cc1ccc2ccccc2c1,5.16,4.51519889831543,0.15735688858445082,1106,3
OADMET-0001503,O=Cc1ccc(OCCCCN2CCCCC2)cc1,3.52,1.9375658750534057,0.06742774533013973,1105,2
OADMET-0001502,Cc1cccc2cc(C=O)c(Oc3ccc(F)cc3)nc12,4.57,4.4262713432312015,0.07628297897107615,1104,1
OADMET-0001501,CC(C)(C)c1cnnn1-c1ccc(C=Cc2ccc(C=O)cc2)cc1,3.91,4.067469120025635,0.07738997660691065,1103,0
OADMET-0001500,O=Cc1cnc(N2CC3(CCC3)C2c2ccc(F)cc2)nc1,4.41,4.343326282501221,0.11067359380855142,404,3
OADMET-0001499,COc1ccc(OCC(=O)NCc2cccs2)c(C=O)c1,3.88,3.2380961418151855,0.09102725568952358,403,4
OADMET-0001498,CC1(Cc2ccc(Cl)s2)CCCN1C(=O)c1cncc(C=O)c1,5.51,5.192344760894775,0.07815109046402444,1102,1
OADMET-0001497,O=Cc1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1,4.95,4.758586788177491,0.10059465653088287,1101,4
OADMET-0001496,O=Cc1ccc(N2CCN(c3ncnc4[nH]ncc34)CC2)s1,1.85,1.9930824041366577,0.04450080878683727,261,0
OADMET-0001495,CC1(Cc2ccccc2)CCCN1c1ncc(C=O)cn1,5.09,4.7131928443908695,0.05795498241262083,1100,1
OADMET-0001494,Cc1noc2ncc(NC(=O)c3ccc(N(C)C)c(C=O)c3)cc12,2.26,4.202604961395264,0.10257034158298071,402,2
OADMET-0001493,Cc1cc(C(=O)N2CC(n3cncn3)C2)cc(C=O)c1O,2.33,2.982715034484863,0.09119461344000968,1099,3
OADMET-0001492,CCOc1ccc2nc(N3CCCC(C(=O)Nc4cccc(C(C)=O)c4)C3)sc2c1,4.19,4.529944133758545,0.040218039691599525,401,0
OADMET-0001491,COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1OC,5.18,4.792646884918213,0.043804774930664564,26,0
OADMET-0001490,COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)sc4n3)c2)c1,5.3,4.569101715087891,0.026747611070465502,1098,0
OADMET-0001489,Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1,4.09,5.034124660491943,0.10527733780332145,1097,4
OADMET-0001488,Cn1cccc1Cc1nnc(SCC(=O)N2CCCCC2)n1CCc1ccccc1,5.22,5.257268714904785,0.11171352847698512,1096,3
OADMET-0001487,COc1ccc(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1,3.76,5.493560028076172,0.09982596061096422,1095,2
OADMET-0001486,Clc1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1,5.08,4.954411220550537,0.04286724640473313,1094,1
OADMET-0001485,CCOc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1,5.78,4.882265663146972,0.08939305302821395,1093,0
OADMET-0001484,COc1ccc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1,2.44,3.4275726318359374,0.08874360496995903,1092,4
OADMET-0001482,Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCN(c3ccccc3)CC2)cc1C,5.67,5.153020763397217,0.12791695521169352,1091,3
OADMET-0001481,CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(C)cc(C)c3)no2)cc1,4.41,5.039820289611816,0.12587225261095794,1090,2
OADMET-0001480,O=C(Nc1ccc(Cl)cc1)c1csc2c1CCCCC2,4.83,4.6404052734375,0.060058773505134014,1089,1
OADMET-0001479,Cc1cc2cc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)c(=O)[nH]c2cc1C,4.61,4.611900520324707,0.09465556282575417,1088,0
OADMET-0001478,CCOc1ccc(CC(=O)N2CCC(CCOC)(NC(=O)Nc3cccc(C)c3)C2)cc1,5.04,4.576399517059326,0.04770209223997917,400,1
OADMET-0001477,O=C(C1CCC1)N(Cc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1,5.33,5.478516864776611,0.05724827823905892,1087,4
OADMET-0001476,COCCC1(NC(=O)c2ccc(F)cc2)CCN(C(=O)COc2cccc(C)c2)C1,4.38,4.695537853240967,0.0747371372632476,400,1
OADMET-0001474,CCn1nc(C)c(CN2CCc3c(c(CCC(=O)N4CCCC4)nn3C)C2)c1C,2.86,4.316947555541992,0.1414896515043207,43,4
OADMET-0001473,CCn1cc(C(=O)N2CCCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)cn1,2.52,4.0717902183532715,0.13608339850747891,43,4
OADMET-0001472,COc1cccc(NC(=O)N2CCCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)c1,3.57,4.586454296112061,0.12277051083334309,43,4
OADMET-0001471,CCOCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1,1.73,3.5183783054351805,0.11112377876551152,1086,3
OADMET-0001470,CCCn1c(C)cnc1C1CCN(S(=O)(=O)c2cccc3cccnc23)C1,6.43,5.437465953826904,0.08635796729664891,42,2
OADMET-0001469,CCOC(=O)c1ccc(CNC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cc1,4.34,4.838494396209716,0.07211095987297361,1085,2
OADMET-0001468,CCC(C)C(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)CS2(=O)=O,4.01,4.6274467468261715,0.17485636415136993,1084,1
OADMET-0001467,CC(C)C(=O)N(CCCN1CCCC1)C1CCCN(C(=O)COc2ccc(F)cc2)C1,3.87,4.537747955322265,0.079604599079532,43,4
OADMET-0001466,CCn1nc(C)c(CN2CCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)c1C,3.16,3.857443380355835,0.18763012748810728,43,4
OADMET-0001465,Cc1noc(C)c1S(=O)(=O)N1CCC(N(CCCN2CCCC2)C(=O)C(C)C)C1,4.41,4.426957798004151,0.18318262767994653,43,4
OADMET-0001464,Cc1ccc(C(=O)N2CCC(N3C(=O)CCC3C(=O)NCc3ccccc3)CC2)s1,4.45,3.7432324409484865,0.13743438162445185,1083,0
OADMET-0001463,CC(=O)N(CCc1noc(C2CCC2)n1)C1CCN(C(=O)CN2CCCCCC2)C1,3.21,3.8816733360290527,0.05886812758574294,192,2
OADMET-0001462,CC(=O)N(CCc1noc(C2CCC2)n1)C1CCN(C(=O)CCCc2ccccc2)C1,5.16,4.689944267272949,0.052016212159367484,192,2
OADMET-0001461,CCC(CC)C(=O)N1CCC(N(CCc2noc(C3CCC3)n2)C(C)=O)C1,5.18,4.6045451164245605,0.0966461823712057,192,2
OADMET-0001460,O=C(NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1)c1ccc2[nH]cnc2c1,2.48,2.716049242019653,0.14232518525411023,70,0
OADMET-0001459,Cc1ncoc1C(=O)NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1,3.69,2.7579986572265627,0.1232452707395694,70,0
OADMET-0001458,Cn1cnc(C(=O)NCCN(C2CCOCC2)C2CCCN(C(=O)C3CC3)C2)c1,3.0,2.575940418243408,0.14404382028976145,70,0
OADMET-0001457,Cn1cnc(S(=O)(=O)NCCN(C2CCOCC2)C2CCCN(C(=O)C3CC3)C2)c1,2.9,3.1020323276519775,0.13669705843692143,70,0
OADMET-0001456,CC(C)NC(=O)NCCN(C1CCOCC1)C1CCN(S(C)(=O)=O)CC1,3.16,3.338067626953125,0.1454553394864383,1082,4
OADMET-0001454,COCCC1(C(N)=O)CCCN(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C1,2.3,3.479015827178955,0.11196713776028264,396,4
OADMET-0001453,COc1ccc(C2(C(=O)NCC3CN(CC(C)C)C(=O)CO3)CCCCC2)cc1,5.52,4.980019474029541,0.1361930696749799,114,0
OADMET-0001452,CC(C)CN1CC(CNC(=O)c2nccc3ccccc23)OCC1=O,5.06,4.410210800170899,0.12031948182267481,114,0
OADMET-0001451,CC(C)CN1CC(CNC(=O)CCCc2c[nH]c3ccccc23)OCC1=O,5.04,4.197229242324829,0.13624210262221947,114,0
OADMET-0001450,O=C(c1ccccn1)N1CCCC1CCc1noc(C2CC2)n1,3.66,4.887316703796387,0.09591122296955919,109,1
OADMET-0001449,O=C(c1cncc(Br)c1)N1CCCC1CCc1noc(-c2cccnc2)n1,5.2,4.548169040679932,0.15312429482978904,399,3
OADMET-0001448,CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1,4.54,3.4442272663116453,0.2627707977013648,191,3
OADMET-0001447,O=C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CCCCCCN1,4.65,3.8322418689727784,0.28724492133949303,191,3
OADMET-0001446,Cn1ccnc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1,2.51,2.4881646633148193,0.12467301164613862,191,3
OADMET-0001445,CCN1[C@@H]2CCCC[C@@]2(C(=O)NCCCN2CCCC2=O)CCS1(=O)=O,4.36,4.487143421173096,0.12082670318709124,1081,3
OADMET-0001444,CO[C@H]1CN(C2CCN(C(=O)COCc3ccccc3)CC2)[C@H]1c1cccnc1,4.56,3.9615081787109374,0.0888807419244111,398,3
OADMET-0001442,CCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCOCCNC(=O)CC1,3.69,3.261806583404541,0.15043448131368328,1080,2
OADMET-0001441,Cc1cccc(OCCc2noc(C3CN(C(=O)c4ccsc4)C3)n2)c1,5.05,4.875435256958008,0.10462414729547238,113,3
OADMET-0001440,COc1ccc(C(=O)N2CC(c3nc(CCOCC4CC4)no3)C2)cc1,4.59,4.595356082916259,0.13699746832644907,113,3
OADMET-0001439,Cc1ccccc1S(=O)(=O)N1CC(c2nc(CCN(C)C(=O)C3CCOCC3)no2)C1,5.33,4.709146213531494,0.07672431613188647,1079,1
OADMET-0001438,CCn1cc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)ccc1=O,1.67,2.492562103271484,0.14441229533014197,190,4
OADMET-0001437,Cc1noc(C)c1CNC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2,4.53,4.175210189819336,0.08382359307711677,1078,0
OADMET-0001436,CCOCCCNC(=O)CN1C(=O)C(Oc2ccc(F)cc2)C12CCCCC2,5.35,4.77332649230957,0.09507009286515722,1077,4
OADMET-0001435,O=C(c1ccncc1)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccncc2)CC1,3.09,3.5281656265258787,0.13922929455576372,1076,3
OADMET-0001434,OCC1CN(c2ncccn2)CC12CCN(Cc1cccc3[nH]ccc13)CC2,2.86,3.4417137622833254,0.1580250039689299,1075,2
OADMET-0001433,CNC(=O)c1cc[nH]c1C1CCCN(C(=O)CN2CCCC2=O)C1,2.36,3.650824451446533,0.13709191396787523,1074,1
OADMET-0001432,Oc1ccc(CN2CCCCC2c2nc(CCOCC3CC3)no2)cc1,4.61,4.587501144409179,0.18620331462083617,113,3
OADMET-0001431,CCCNC(=O)N1CCC2(CC1)N(C1CCCC1)C(=O)CS2=O,3.64,3.653107738494873,0.19331812078974075,1073,0
OADMET-0001430,CCC(C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1,4.92,4.308748435974121,0.1043559319801156,1072,4
OADMET-0001429,COc1ccc(NC(=O)N2CCn3nnc(CCC(=O)N4CCCC4)c3C2)cc1,3.34,3.4898112773895265,0.10120046105174008,1071,3
OADMET-0001427,CCOCCCNC(=O)N1CCC(Cc2nnc(-c3ccccc3)[nH]2)CC1,4.79,4.268912029266358,0.1356488412840674,189,2
OADMET-0001426,CN1C(=O)c2cccn2CC1CNC(=O)CCc1c[nH]c2ccccc12,4.87,4.343125629425049,0.06291064600054766,114,0
OADMET-0001425,CCC(=O)N1CCC(Oc2ccccc2-c2nc(C3CC3)no2)C1,5.15,4.7949034690856935,0.05802727867880318,397,4
OADMET-0001424,CCOC(=O)c1ccc(NC(=O)CC2CCCCN(C)C2=O)cc1,4.98,4.186073207855225,0.08686452016439164,1070,2
OADMET-0001423,COCCNC(=O)CN1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1,1.88,2.6680596351623533,0.06979361226840881,1069,1
OADMET-0001422,O=C(CCc1c[nH]c2ccccc12)N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1,4.77,4.0075531005859375,0.14706871996213328,14,1
OADMET-0001420,CCOc1ccc(CN2C[C@@H]3C(=O)N(CCN4CCc5ccccc5C4)C(=O)[C@@H]3C2)cc1,5.19,3.607673501968384,0.04337300577577344,1068,2
OADMET-0001419,N#Cc1ccc(CN2CCc3nc(N4CCc5ccccc5C4)[nH]c(=O)c3CC2)cc1,3.61,3.752786064147949,0.07543636346111716,1067,3
OADMET-0001418,CN(Cc1cccnc1)c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(F)c(Cl)c1)CC2,4.24,3.6269334316253663,0.07821014207781722,376,2
OADMET-0001417,COc1ccc(CC(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@@H](CO)C2)cc1,3.38,3.7417044639587402,0.18211007870686072,183,3
OADMET-0001416,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2nnc3n2CCCC3)cc1,4.71,4.506692886352539,0.0966515333305373,1066,4
OADMET-0001415,COc1ccc(-c2nc(CC3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)no2)cc1,3.83,4.586763858795166,0.0697250878377633,1065,2
OADMET-0001414,Cn1nc(C2CCCN(C(=O)C3CCC3)C2)n(C2CCCC2)c1=O,4.86,4.2474973678588865,0.14500763537351571,1064,1
OADMET-0001413,O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2nncn2Cc2ccccc2)C1,3.4,4.245054149627686,0.09106153005871626,190,4
OADMET-0001412,O=C(c1ccc2cc[nH]c2c1)N1CCC(Cc2nncn2Cc2ccccc2)C1,4.11,4.514982128143311,0.0807028862053966,190,4
OADMET-0001410,CCn1cc(S(=O)(=O)NC[C@@]23CCC[C@H]2N(CCOC)C(=O)CC3)cn1,4.8,4.332619285583496,0.0598324767170496,42,2
OADMET-0001409,CCCN1C(=O)CC[C@]2(CNC(=O)c3noc(C)c3COC)CCC[C@@H]12,4.1,5.053842830657959,0.11991076343270664,42,2
OADMET-0001408,CCCN1C(=O)CC[C@]2(CNC(=O)c3cc(C4CC4)[nH]n3)CCC[C@@H]12,5.27,5.239418697357178,0.10767480768671925,42,2
OADMET-0001407,O=C(Nc1ccccc1)c1ccc(N2CCC(NCc3ccc(O)cc3)C2)nc1,3.2,3.6285537242889405,0.149087048104759,1063,0
OADMET-0001406,CCCN1C(=O)CC[C@]2(CNS(=O)(=O)c3cccc4cccnc34)CCC[C@@H]12,5.86,5.757571792602539,0.1404879325110527,42,2
OADMET-0001405,CCCN1C(=O)CC[C@]2(CNC(=O)c3n[nH]c4ccccc34)CCC[C@@H]12,5.8,5.124938678741455,0.10486773457322984,42,2
OADMET-0001404,CCOCCCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1,4.09,3.303604173660278,0.11607966774159356,189,2
OADMET-0001403,O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2cccc(Cl)c2)CC1,4.05,3.9977888107299804,0.07380808533381884,394,3
OADMET-0001402,CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1,4.39,4.724305915832519,0.12269926998386455,1062,4
OADMET-0001401,CCNc1cc(N2CCCC(CCC(=O)N3CCN(C(=O)OCC)CC3)C2)ncn1,3.49,2.8164913177490236,0.06433903929013561,1061,3
OADMET-0001400,CCCN(C)c1nccnc1OC1CCN(C(=O)C(C)C)C1,4.99,4.678653240203857,0.11070547199669815,1060,2
OADMET-0001399,COc1ccccc1CCC(=O)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1,5.01,5.551931095123291,0.07914181691704494,1059,1
OADMET-0001398,Cc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)cc1,1.66,4.103317785263061,0.17613615518672163,1058,0
OADMET-0001397,CNc1ccc(OC2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc1,4.38,4.047157096862793,0.12758055266598825,396,4
OADMET-0001396,Cc1ccc(CN2CC(C(=O)N3CCCn4nc(-c5ccccc5)cc4C3)CC2=O)cc1,5.48,4.689746952056884,0.11013539044701448,395,3
OADMET-0001395,Cc1ccc(S(=O)(=O)NC(C(=O)NCc2n[nH]c3ccccc23)C(C)C)cc1,5.48,5.3250306129455565,0.12460790345347131,1057,4
OADMET-0001394,CC(NC(=O)Cc1c(F)cccc1Cl)C(=O)N1CCN(c2ccccn2)CC1,4.74,4.020697116851807,0.0911652894331517,219,2
OADMET-0001393,CCC(=O)Nc1ccc(C)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O,3.04,4.144492244720459,0.14863941771790123,394,3
OADMET-0001392,Cc1cccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn34)cc2)c1,2.85,4.432061100006104,0.17682384792592953,1056,3
OADMET-0001391,CCOc1cc(=O)c(C(=O)N2CCN(CC(C)C)CC2)nn1-c1ccc(C)cc1,4.33,3.833062028884888,0.12124235082094749,1055,2
OADMET-0001390,CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3ccc4oc(C)nc4c3)C2)cc1,1.75,2.1988937854766846,0.12433986968053949,393,2
OADMET-0001388,O=C(CCc1nc2ccccc2s1)NC1CCN(C(=O)N2C[C@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)CC1,6.14,4.156984806060791,0.12726995920232917,1054,1
OADMET-0001387,CC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(F)cc4F)CC3=O)ccc21,1.63,3.9909771919250487,0.09377464761422168,128,0
OADMET-0001385,CCC(=O)NCc1csc(C2CCCN(C(=O)c3ccccc3OC)C2)n1,4.75,4.819340991973877,0.10275076212336469,188,0
OADMET-0001384,CCOC(=O)N1CCN(C(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)CC1,1.71,3.824202299118042,0.08353436853094355,1053,0
OADMET-0001383,CS(=O)(=O)N(Cc1ccccn1)C1CN(C(=O)CCc2c[nH]c3ccccc23)C1,3.93,4.199980163574219,0.14181353964215015,392,1
OADMET-0001382,O=C(C1CCCCC1)N1CC(N(Cc2ccccn2)C(=O)Nc2ccccc2)C1,4.76,4.494038391113281,0.09564918791376595,391,0
OADMET-0001381,CCN(Cc1ccncc1)C1CN(C(=O)c2ccn(CC)n2)C1,4.44,2.9189857959747316,0.04740176758163293,187,3
OADMET-0001380,CCN(Cc1ccncc1)C1CN(C(=O)CC2CCN(C(C)=O)CC2)C1,2.42,2.745626449584961,0.045513059154172114,187,3
OADMET-0001379,CCn1nccc1C(=O)N1CC(N(Cc2ccncc2)CC(C)C)C1,4.88,3.8387403964996336,0.12784339165544958,187,3
OADMET-0001377,C=CCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)C1,3.19,3.2049715518951416,0.2159528443414819,1052,3
OADMET-0001376,CCC(=O)NCCc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1,3.92,3.7660789012908937,0.07193735529080454,188,0
OADMET-0001375,Cc1nnc2c(=O)n(CC(=O)NC3CCCC3)c3cccnc3n12,3.39,4.028048753738403,0.16198016051717265,1051,4
OADMET-0001374,O=C(Cn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1cccc(Cl)c1,5.25,5.409949874877929,0.07622324240141824,1050,2
OADMET-0001373,CCCCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,4.38,4.850389671325684,0.07419583215480006,1049,1
OADMET-0001372,O=C(c1ccc2c(c1)CN(C(=O)c1ccc3ncccc3c1)CCO2)N1CCCC1,3.41,3.713629150390625,0.11094213628506021,1048,0
OADMET-0001371,CC(CNC(=O)CCn1c(N2CCCCC2)nc2ccsc2c1=O)c1ccccc1,5.14,5.6975091934204105,0.100947410657262,1047,4
OADMET-0001370,CC(C)n1c(=O)n(CC(=O)NCCCc2ccccc2)c2cc(S(=O)(=O)N3CCCC3)ccc21,5.26,5.023544788360596,0.08729274149477806,1046,3
OADMET-0001369,CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(OC)cc1)C(C(=O)N(C)C)C2,4.26,4.367146110534668,0.1526513307070646,1045,2
OADMET-0001368,Cc1cccc(-c2noc(C3CCCN3C(=O)C(C)NC(=O)c3ccccc3)n2)c1,5.6,4.778127384185791,0.08638084026856152,390,0
OADMET-0001367,COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)no2)c1,5.43,5.170471954345703,0.07405957444381239,1044,1
OADMET-0001366,Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(CC(=O)N2CCCC2)CS3)c(C)c1,5.2,4.934621715545655,0.0269444606148465,1043,0
OADMET-0001365,CCOC(=O)c1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)c1,4.8,4.8414019584655765,0.07001399909616174,1042,4
OADMET-0001364,Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCc4ccccc4)n3)c2c1,5.09,4.3808060646057125,0.06632258600629466,1041,3
OADMET-0001363,COCc1nc(CNC(=O)CSc2nc3cc(C)ccc3[nH]2)no1,3.57,3.1989508152008055,0.12246450892201631,389,4
OADMET-0001362,CCCn1cc(NC(=O)NC(C)c2ccc(-n3cncn3)cc2)nn1,3.53,3.450511264801025,0.11790931138429513,1040,2
OADMET-0001361,COCCn1ccnc1CN1CCC(NS(C)(=O)=O)CC1,3.55,2.8446834564208983,0.04928596394653263,1039,1
OADMET-0001360,Cn1ncc(CN2CCC(N3CCC(O)CC3)CC2)c1C1CC1,3.02,2.5803218364715574,0.1322394387530444,1038,0
OADMET-0001359,CC(Cn1cncn1)NCC1(c2cccc(F)c2)CCCC1,4.38,5.045165634155273,0.08241203643632194,1037,3
OADMET-0001358,CC(=O)c1cc(CN2CCC3(CC2)CN(CC(C)c2ccccc2)C(=O)O3)cs1,3.43,4.1421185493469235,0.053885500256228736,1036,0
OADMET-0001357,CCc1cc(-c2ccnn2C)nc(N(C)C)n1,3.38,4.161137199401855,0.07514820414502763,1035,0
OADMET-0001356,COc1ccc(NC(=O)NC(C)c2cnn(C)c2)cc1NS(C)(=O)=O,3.94,2.9628446102142334,0.1277719166407018,171,1
OADMET-0001355,CCc1ccc(CN(C)Cc2ccc(CN3CCCCC3)s2)nc1,3.78,4.481086254119873,0.08938379771146816,1034,3
OADMET-0001354,COc1cc(-c2ccc(C(C)N3CCCC3)cc2)nc(N)n1,3.62,3.6520370960235597,0.20025375613977536,1033,3
OADMET-0001353,CC(C)[C@@H]1CN(C(=O)c2ncn[nH]2)C[C@H]1NS(=O)(=O)N(C)C,3.24,4.067968511581421,0.25965700304245887,355,4
OADMET-0001352,CCc1nnc(CNC(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)s1,2.61,3.5111666679382325,0.06123553880853914,106,2
OADMET-0001351,CCCCN(Cc1ccc(F)cc1)Cc1cc(O)c(OC)cn1,4.55,4.283623123168946,0.1023916567465104,1032,2
OADMET-0001350,COc1ncccc1-c1ncc(C)c(N(C)C)n1,3.7,4.461414527893067,0.11264130086913561,1031,1
OADMET-0001349,COc1ccc(CC(=O)N2CCC(CNC(=O)CCn3nnnc3C)CC2)cc1,3.36,3.6446935176849364,0.06215395566630455,384,4
OADMET-0001347,CN(Cc1noc(C2CCCC2)n1)Cc1nc2ccc(F)cc2[nH]1,4.64,4.360281944274902,0.0943964733318168,1030,0
OADMET-0001346,Cc1cc(C(=O)N(CCOc2ccccc2)CC2CCCO2)ccc1N1CCOCC1,4.38,4.726406669616699,0.043185293724603994,1029,4
OADMET-0001345,C[C@H](N)C(=O)Nc1ccccc1CN1CCOCC1,3.28,3.227146053314209,0.15477346495603808,1028,3
OADMET-0001344,Cc1cc(C(=O)NCc2nc(N)nc(N(C)C)n2)c(-c2ccccc2)o1,4.08,4.876471614837646,0.0347782371414616,343,2
OADMET-0001343,Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n(C2CCCC2)n1,3.71,3.5023601055145264,0.06732688711128375,324,4
OADMET-0001342,Cc1cc(C)n(CCN(C)C(=O)c2cccc(-c3cncc(C(=O)O)n3)c2)n1,1.81,3.509424591064453,0.06756519673702154,387,1
OADMET-0001341,O=C(NCc1cc(-c2ccco2)on1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1,3.44,2.691407632827759,0.1386991330685472,388,3
OADMET-0001340,Cc1ccn(CCCNc2cc(C(C)C)ncn2)n1,3.16,3.3743130207061767,0.20398448123710303,1027,2
OADMET-0001339,O=C(N[C@@H]1CCN(C(=O)CCc2ccc(=O)[nH]n2)C[C@H]1O)c1ccccc1,2.05,2.423970365524292,0.055106390252734234,183,3
OADMET-0001338,Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3snnc3C)c2)n1,4.87,4.9119994163513185,0.08114959398583996,387,1
OADMET-0001337,CCc1csc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)n1,4.99,5.018420028686523,0.05356296023740644,1026,1
OADMET-0001336,CCc1cn[nH]c1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,4.96,4.705349922180176,0.06070369271017957,1025,0
OADMET-0001335,COc1ccc(NC2(C(=O)NCc3noc(C4CC4)n3)CCCCC2)cc1,4.74,4.925961494445801,0.05454142450776196,68,2
OADMET-0001334,CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cc(=O)[nH]c(=O)[nH]1,3.49,2.4945945262908937,0.043964524694625265,1024,4
OADMET-0001333,CC(C)Nc1ncc(C(=O)NC2CCSC2)cn1,3.73,4.017401933670044,0.13110783475532245,1023,3
OADMET-0001332,CN1CCN(C(=O)CSCc2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21,4.69,4.547148704528809,0.1371761084737299,1022,1
OADMET-0001331,CC(C)(C)c1cc(CNC(=O)C2CCC(=O)NC(=O)N2)[nH]n1,3.09,2.804510498046875,0.09113005778549182,382,1
OADMET-0001330,O=C(c1ccc(-c2cccnc2)nc1)N1CCCC(c2ccccc2)CC1,4.56,4.644020366668701,0.07658393300343534,386,0
OADMET-0001329,CN1CCN(Cc2nnc(C3CCN(C(=O)Cn4ncnn4)CC3)n2C)CC1,3.05,2.6003346920013426,0.06504872734788054,1021,4
OADMET-0001328,c1ccc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)cc1,3.67,3.3899736404418945,0.1495113540302825,1020,0
OADMET-0001327,Nc1nnnn1CC(=O)N1CCC(Oc2cccnc2)CC1,1.91,2.55663948059082,0.05409011817511304,1019,4
OADMET-0001326,COCCN(Cc1cc(C(C)C)on1)Cc1ccccc1Cl,4.8,5.099165725708008,0.153459289000797,1018,3
OADMET-0001325,CN(Cc1ccc(-c2cc[nH]n2)o1)C1CCSCC1,3.98,3.8004981517791747,0.13723304003376954,1017,2
OADMET-0001324,O=S(=O)(N1CCCCC1)N1CCCN(Cc2c[nH]cn2)CC1,3.39,4.310801410675049,0.23039352858177725,1016,1
OADMET-0001323,O=C(NCCc1noc(C2CC2)n1)c1nc2ccccc2[nH]c1=O,3.58,3.862705421447754,0.11407017516468937,109,1
OADMET-0001322,Nc1nnnn1CC(=O)NCCc1noc(-c2ccccc2)n1,2.55,3.3637248516082763,0.08340026677580555,179,2
OADMET-0001321,Cc1cccc2[nH]c(C3CCCN3C(=O)c3c[nH]c(=O)[nH]3)nc12,2.59,3.202191400527954,0.09787148191084036,1015,0
OADMET-0001320,Cc1nn(C)c(C)c1CCC(=O)NC(C)c1nnc(CC(=O)O)[nH]1,2.51,2.586262893676758,0.09408525488472515,186,1
OADMET-0001319,CCc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)[nH]1,3.69,3.6115487098693846,0.2325237195994996,1014,4
OADMET-0001318,Cc1ncsc1CN(Cc1ccccc1)C(=O)NC1CCCCC1,4.66,4.926866436004639,0.12650349881390105,1013,3
OADMET-0001317,CC(C)(O)CCc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1,3.25,3.0179665088653564,0.17330716354674416,1012,2
OADMET-0001316,Nc1nnc(CCNC(=O)C2CCN(C(=O)C3CCCO3)CC2)s1,2.36,2.4737266540527343,0.06916936789500554,1011,1
OADMET-0001315,CN(C)Cc1ccccc1CN(C)C(=O)c1ccc(-c2cccc(F)c2)cc1,4.46,4.352497577667236,0.1338114945191819,1010,0
OADMET-0001314,CCCOc1cccc(-c2nccnc2NC)c1,3.43,4.399857902526856,0.10770662269243736,1009,4
OADMET-0001313,CCc1nc(CN2CCC(n3nc(C)cc3C)C2)no1,3.53,3.9161584854125975,0.11659777235361536,374,3
OADMET-0001312,c1ccc(OCCN2CCN(Cc3ccc(C4CCCO4)s3)CC2)cc1,3.53,3.731013774871826,0.08226942373662555,1008,2
OADMET-0001311,CCCn1ncnc1C(C)NC(=O)c1cc(C)oc1C,3.81,3.53777961730957,0.12270030067220637,1007,0
OADMET-0001308,CCCc1nc(C)c(CNC(=O)Cn2nnnc2N)s1,3.23,2.7300726890563967,0.10589682290693762,111,3
OADMET-0001307,Cc1ccccc1CNC(=O)CN1CCN(c2ccnc3nncn23)CC1,3.03,2.5235924243927004,0.14931451178746633,1006,0
OADMET-0001306,Cc1ccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1,3.56,4.796685886383057,0.0558532479927733,1005,1
OADMET-0001305,CCc1noc(C)c1C(=O)N1CCC(N2CCSCC2)CC1,3.17,2.988380765914917,0.1353058355652388,1004,0
OADMET-0001304,Cc1nc(-c2ccc(C(C)N3CCOCC3)cc2)n(C)n1,2.56,3.345742130279541,0.10657901647188062,1003,4
OADMET-0001303,COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c1,4.15,4.595531940460205,0.1803843495873106,1002,3
OADMET-0001302,c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,3.94,4.063984966278076,0.08563807609704739,1001,2
OADMET-0001301,CC(Cc1cccs1)NC(=O)c1cccc(Cn2cccn2)c1,4.68,4.954950428009033,0.07922899314216766,385,2
OADMET-0001300,Cc1nc(CCNC(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)nc2c1CCC2,3.18,2.9289308071136473,0.12237305486960026,1000,1
OADMET-0001299,Fc1ccccc1CCC1CCCN(c2nnnn2-c2ccccc2)C1,4.92,5.039284038543701,0.10026094010645495,999,0
OADMET-0001297,CNC(=O)CC1C(=O)NCCN1C(=O)NCc1nc2cc(F)ccc2[nH]1,2.6,2.3522225856781005,0.05679540027102497,998,4
OADMET-0001296,Cc1nnnn1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1,2.71,3.7966516494750975,0.15125271550834538,384,4
OADMET-0001295,Cc1ccc(C(=O)NC(c2nccn2C)C(C)C)s1,4.6,4.937962913513184,0.16697767533585117,997,3
OADMET-0001294,O=C(O)c1csc(CCNC(=O)N2CCOc3ccc(CO)cc3C2)n1,2.34,2.342745304107666,0.08725128349855761,996,2
OADMET-0001293,CCSc1ccccc1NC(=O)c1cscn1,4.19,4.737070560455322,0.07583814831355272,353,1
OADMET-0001292,Cc1nc2cc(C(=O)N3CC(Oc4ccccc4Cl)C3)ccc2s1,3.68,4.138028335571289,0.08377327259161282,995,1
OADMET-0001290,CCCCC(=O)Nc1ccc(C(=O)NCCc2nnc(N)s2)cc1,3.41,3.0128015995025637,0.05271913174769239,176,0
OADMET-0001289,COc1ccc2c(c1)CC(C(=O)NCc1nnnn1-c1ccccc1)CO2,4.21,4.423441791534424,0.1097165320946574,112,4
OADMET-0001288,O=C(NCc1nc(-c2ncccn2)no1)C1CC(=O)N(Cc2ccncc2)C1,2.76,2.825745725631714,0.10240485664558499,994,4
OADMET-0001287,CC(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)nc1,2.5,2.773761749267578,0.17587641305507457,993,2
OADMET-0001286,COc1ccccc1-n1c(SCC(=O)O)nnc1C1CCOCC1,2.39,3.5285011768341064,0.15869223635839255,992,3
OADMET-0001284,CCOc1c(CN(C)Cc2nc(C(N)=O)no2)cccc1OC,3.35,3.618072748184204,0.06951743226670055,991,2
OADMET-0001283,Cn1nc2cccc(S(=O)(=O)NCCCc3csc(N)n3)c2n1,4.0,3.786544609069824,0.08152500940710262,366,0
OADMET-0001282,COCCCn1cnnc1CNC(=O)Cn1ccccc1=O,2.37,2.7033162117004395,0.1416665204842158,381,2
OADMET-0001281,CN(C)CCN1CC2(CCN(C(=O)CCCS(N)(=O)=O)CC2)OC1=O,2.28,2.44065203666687,0.07327707718229273,990,1
OADMET-0001280,COCCn1cncc1CN1CCN(S(C)(=O)=O)CC1,3.14,3.0827499866485595,0.21103828018669088,989,0
OADMET-0001279,CCCOC1CCCN(C(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1,4.83,4.194646263122559,0.06804647912365207,988,4
OADMET-0001278,Nc1nc(-c2ccccc2C(=O)O)cc(N2CCOCC2)n1,2.56,2.226202917098999,0.11037223961571617,987,3
OADMET-0001277,CCc1cc(NCCCn2ccnc2)n2nccc2n1,1.61,3.530577611923218,0.1001242245186054,986,2
OADMET-0001276,Fc1ccc(-c2n[nH]cc2CN(Cc2cccnc2)Cc2cccnc2)cc1,4.6,3.94973201751709,0.10687704500172267,985,1
OADMET-0001275,Cc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)c(C)c1,3.8,4.226976299285889,0.09968584930343974,69,0
OADMET-0001274,CNC(=O)c1ccc(S(=O)(=O)NCc2nonc2C)cc1,3.68,3.7889146327972414,0.0630136456978288,341,4
OADMET-0001273,CSc1ncc(CNC(=O)Cn2nnnc2N)n1C,3.39,2.3956688404083253,0.10200058100789638,383,1
OADMET-0001272,O=C(NCCCn1ccnn1)C1Cc2ccccc2O1,2.95,4.086672687530518,0.07962229972593848,185,4
OADMET-0001270,Cc1cc(C)nc(SCc2ccc(C(=O)NCc3noc(C4CC4)n3)o2)n1,4.39,4.763255214691162,0.12824373274333872,182,3
OADMET-0001268,CCCn1cc(NC(=O)NCCn2c(C)cc(C)nc2=O)nn1,2.43,2.688712787628174,0.21302803934189776,984,0
OADMET-0001267,Cn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O,3.29,2.656905746459961,0.11487364680526346,382,1
OADMET-0001266,CCN1CCN(C(=O)NC(C)c2nncn2CCCOC)CC1,2.79,2.6237574100494383,0.13974879750142133,381,2
OADMET-0001264,Cn1cccc1CCC(=O)N1CCCN(C2CCCC2)CC1,2.91,4.457854175567627,0.1045165817120351,983,4
OADMET-0001263,CC(c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1,4.5,4.968832492828369,0.1621218733880714,982,3
OADMET-0001262,CN(C)c1ccc(CCC(=O)NCc2noc(C(N)=O)n2)cc1,3.18,3.0264586448669433,0.17151807722005258,69,0
OADMET-0001261,CN1CC(=O)N(CC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)C1=O,3.15,2.876980447769165,0.11208575784789944,380,3
OADMET-0001260,COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)CC2)c1,3.37,3.679046964645386,0.12488688310919259,981,1
OADMET-0001259,Cc1ccc(CN2CCC(CNC(=O)c3n[nH]nc3C)CC2)o1,2.88,2.9298430919647216,0.18140862913873015,980,3
OADMET-0001258,Cc1cnc2c(C(=O)Nc3ccc(Oc4nnn[nH]4)cc3)cnn2c1,1.64,1.8984299659729005,0.12525913736158914,66,3
OADMET-0001257,Cc1nc(CN2CC[C@@H](Nc3ncccc3C#N)[C@H](O)C2)cs1,3.77,4.035260963439941,0.09368342838408382,979,2
OADMET-0001256,CSCc1ccc(C(=O)NC2CCS(=O)(=O)CC2)o1,3.21,3.836880350112915,0.12537259213259394,978,1
OADMET-0001255,CCN1CC(C(=O)NCCCc2nc(C)c(C)s2)CC1=O,3.39,3.626315784454346,0.12733801711225853,342,3
OADMET-0001254,COc1cc(C)c(C)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1,5.05,4.57481632232666,0.10733238781971638,977,2
OADMET-0001253,OCC1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1,4.36,4.309686756134033,0.10579672701105748,976,1
OADMET-0001252,Cc1n[nH]c(SCC(=O)N(C)Cc2nc(-c3ccncc3)no2)n1,3.73,2.5386322021484373,0.10402112939657099,354,0
OADMET-0001251,Cc1nccn1CC1CCCN(S(=O)(=O)N(C)C(C)C)C1,4.47,4.3592249870300295,0.18928842644920912,975,0
OADMET-0001250,Cn1cc(S(=O)(=O)NCc2nncn2CCc2ccccc2)c(=O)n(C)c1=O,3.09,4.021628904342651,0.1501812159463547,974,4
OADMET-0001248,CC(C)c1cc(C(=O)NCCc2nnc(N)s2)nc(N)n1,3.28,2.5516055107116697,0.09937722743083148,176,0
OADMET-0001247,CCCc1noc(CN(C)C(=O)NC2CCS(=O)(=O)C2)n1,3.55,3.243271017074585,0.032835961415645716,347,2
OADMET-0001246,Nc1nnc(SCC(=O)NCc2csc(-c3ncccn3)n2)s1,2.77,3.075466775894165,0.09391543720165901,973,3
OADMET-0001245,Cc1ccccc1C1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1,2.84,3.7661764144897463,0.06523819612026194,972,2
OADMET-0001244,CCc1ocnc1C(=O)N1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21,2.8,2.5532527923583985,0.07368579035702075,971,1
OADMET-0001243,Cc1cc(N2CCN(C(=O)CC3C=CCC3)CC2)nc(N)n1,3.03,3.309820795059204,0.1635012303021607,970,0
OADMET-0001242,O=C(NCCCc1nnn[nH]1)c1[nH]nc2c1CCC2,2.62,2.192612409591675,0.09207961199775264,337,2
OADMET-0001241,O=Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O,1.66,3.453499746322632,0.0571963815031092,969,4
OADMET-0001240,Cc1cc(OCc2ccc(C=O)o2)ccc1[N+](=O)[O-],3.38,3.0999831199645995,0.10542433077592082,379,4
OADMET-0001239,O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,7.54855421686747,5.065636348724365,0.19997454209169727,968,3
OADMET-0001238,CNC(=O)C1(NC(=O)c2nccn2C)CCCCC1,3.33,3.2945143699646,0.0910112558272022,967,2
OADMET-0001237,Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1,3.94,3.8074223518371584,0.1831938007545303,57,0
OADMET-0001236,Cn1nnnc1SCCNC(=O)c1nc(=O)[nH]c2ccccc12,2.57,2.9593042373657226,0.0871346322109466,358,3
OADMET-0001235,Cc1nnnn1-c1ccc(NS(=O)(=O)NCc2ccccc2)cc1,3.35,3.416340208053589,0.0894876961718631,966,1
OADMET-0001234,CN(CC(=O)O)Cc1cc2ccccc2n(C)c1=O,4.11,3.3266018867492675,0.10569028698808136,378,1
OADMET-0001233,COc1ccc2oc(CNC(=O)[C@H]3CCC[C@@H](O)C3)nc2c1,3.4,2.6536891937255858,0.10282661998745901,965,0
OADMET-0001232,CCNc1ncc(CN2CCC(C(=O)O)CC2)cn1,3.35,2.400804805755615,0.0673898934700846,964,4
OADMET-0001231,Cc1cc(C)cc(N2CCN(C(=O)c3ccccc3-n3cncn3)CC2=O)c1,3.95,4.832623291015625,0.15895466301695754,963,3
OADMET-0001230,CCC(NS(=O)(=O)N1CCOCC1)c1nc(C)c[nH]1,4.19,3.2848272800445555,0.14014237155433973,962,2
OADMET-0001229,CCc1nnc(CN(CC)C(=O)CC2CCOC2)o1,3.49,3.0462910652160646,0.11638599801075307,961,1
OADMET-0001228,CS(=O)(=O)CCC(=O)N1C[C@H]2CC[C@H]1C2,2.71,5.297041893005371,0.15335473178471437,960,0
OADMET-0001227,CN(Cc1ccc2nonc2c1)C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1,2.79,2.4067258834838867,0.1302623889426003,959,4
OADMET-0001226,O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1cnco1,3.19,2.9228872299194335,0.1802788266819439,958,3
OADMET-0001225,CCc1nc(CNC(=O)c2ccc3nnnn3c2)cs1,3.52,2.4344738006591795,0.1183284272792681,371,0
OADMET-0001224,CCc1noc(C(C)NC(=O)c2cnc(N)nc2-c2ccccc2)n1,3.76,4.073726844787598,0.06382347517710414,957,2
OADMET-0001223,Nc1nc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1,2.9,2.699663591384888,0.08992799069727946,370,1
OADMET-0001222,COc1ccccc1OC1CN(CC(C)(C)CN2CCOCC2)C1,3.19,4.760854816436767,0.06287542578647932,956,1
OADMET-0001221,Cc1ccc(CN2CCNC(=O)C2CC(=O)N2CCC3(CC2)COC(=O)O3)o1,2.97,3.465008783340454,0.17536020918122747,955,0
OADMET-0001220,CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N(C)CCO)c2)cn1,3.16,3.511325311660767,0.14805618390654113,954,4
OADMET-0001219,CC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O,2.74,3.6023128986358643,0.11061656806888179,148,2
OADMET-0001218,Cc1c[nH]c(C(C)NC(=O)c2cc(Cl)ccc2C)n1,3.82,3.9924843311309814,0.194681746004466,953,3
OADMET-0001217,O=C(Cn1cccn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1,4.01,3.8867303371429442,0.41016634848075534,952,3
OADMET-0001216,O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cnn[nH]1,3.11,2.6215584754943846,0.07439761790789154,951,4
OADMET-0001215,Cc1cc(N2CCC[C@@H]2C(=O)O)nc(N2CCOCC2)n1,2.24,2.6797247409820555,0.0973468274979602,950,0
OADMET-0001214,CC1(C)CC1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,4.57,4.951372146606445,0.11138062626787078,359,4
OADMET-0001213,CCc1csc(CCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n1,4.36,4.444793033599853,0.16531911345614944,949,4
OADMET-0001212,COc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1Cn1cccn1,4.28,4.0990959167480465,0.09583948504831533,948,0
OADMET-0001211,CC(=O)Nc1ccc2nc(CNCCNc3ccncc3C)ccc2c1,2.67,3.2600579261779785,0.11698053929192309,947,4
OADMET-0001210,c1ccc(-c2ccc(CN3CC(N4CCOCC4)C3)s2)cc1,3.23,3.8478893756866457,0.0826409140810323,946,3
OADMET-0001209,COCC1CCN(C(=O)Cn2nc3ccccc3n2)C1,4.0,4.087995767593384,0.2098037813563875,377,0
OADMET-0001208,Cn1cncc1C(=O)NC1(c2cc(F)cc(F)c2)CC1,4.11,4.819021987915039,0.13459155097866032,945,2
OADMET-0001207,Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1,2.75,2.7583923816680906,0.07977595830818957,944,1
OADMET-0001206,Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1C,2.77,3.1067033767700196,0.1571453995556282,175,2
OADMET-0001204,O=C(CCCn1ccnc1)N1CCC(Cc2ccc(F)cc2)CC1,5.33,3.8492988109588624,0.09709639327487553,105,2
OADMET-0001203,Cc1n[nH]c(C2CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1,3.05,3.2522801399230956,0.09237521515114397,155,2
OADMET-0001202,CCc1nnc(CN(CC)C(=O)Nc2ccc(Cc3nnc(C)[nH]3)cc2)o1,2.49,2.9986519813537598,0.09575276996673644,943,0
OADMET-0001201,CCCC(C)N1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O,3.95,3.6491982460021974,0.11330103811954288,942,4
OADMET-0001200,Fc1cc(CN2CCCN(Cc3cccnc3)CC2)ccc1Cl,4.17,3.3350410938262938,0.07661625461120175,376,2
OADMET-0001199,CCOCC(=O)N1CCC(C(=O)N2CCCC(O)CC2)CC1,2.53,2.7165380001068113,0.0679564536154253,375,4
OADMET-0001198,COCCc1nc(CNC(=O)CSc2nc(C)n[nH]2)no1,2.79,3.030465507507324,0.15364189414182103,68,2
OADMET-0001197,CN(Cc1ccc(CN2CC[C@@H](N)[C@H](O)C2)o1)S(C)(=O)=O,2.68,2.6396148681640623,0.18981314612913938,941,3
OADMET-0001196,COC(C)c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1,4.98,5.046659374237061,0.12184623343158542,940,2
OADMET-0001195,CCc1nc(CN2CCOC(c3ccc4cc(OC)ccc4c3)C2)no1,3.78,4.391561126708984,0.10231199373035123,374,3
OADMET-0001194,CC(C)C[C@@H](NC(=O)c1cccc(-c2ncc[nH]2)c1)C(N)=O,3.32,3.636284017562866,0.06062552982023116,939,1
OADMET-0001193,CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cn(CCN)nn1,2.48,2.6504099369049072,0.10141585069945322,938,0
OADMET-0001192,CSCCC(=O)NC1CCN(Cc2ccccc2F)CC1,3.06,3.497106170654297,0.09295037413774795,937,3
OADMET-0001191,CC(C)(C)n1ccc(C(=O)N2CCN(CCCCO)CC2)c1,3.66,2.742625856399536,0.1766916527090546,936,1
OADMET-0001190,O=C(CCCn1cncn1)NC1CCCN(Cc2cccs2)C1,3.48,3.1140034675598143,0.05220542117856704,935,2
OADMET-0001189,CN(C)CC1COCCN(CCCn2cccn2)C1,3.05,3.35109338760376,0.0713388908603453,934,1
OADMET-0001188,CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1O,3.19,1.9559499263763427,0.147622890084497,933,0
OADMET-0001187,COc1cccc(-c2ccccc2NC(=O)C2CCN(c3cnccn3)CC2)c1,4.19,4.537312698364258,0.042202702799708953,932,4
OADMET-0001186,Cc1nnc2ncc(-c3ccc(OC(C)C)cc3)cn12,3.7,3.7359515190124513,0.15112518085400914,367,4
OADMET-0001185,CC(C)c1nc(C(=O)NC2(c3nnc(N)s3)CCCCC2)cs1,5.54,4.890004062652588,0.1314120391006314,931,3
OADMET-0001184,COc1ccccc1CCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O,3.34,3.6620604515075685,0.2238534110913729,930,2
OADMET-0001183,CCCS(=O)(=O)NC(C)c1nc(-c2ccc(OC)c(OC)c2)no1,3.85,4.204488945007324,0.10438704904427419,184,1
OADMET-0001182,Cc1cc(CN2CCC(c3nnc[nH]3)CC2)on1,2.69,2.419997978210449,0.10526484122080154,350,4
OADMET-0001181,CCc1nc2cc(NC(=O)C3CCC3)ccc2n1CC,4.56,4.189620304107666,0.13455309226643541,373,3
OADMET-0001180,CCSc1cccc(-c2cc(C(=O)N3CCCCC3)ccn2)c1,4.77,5.294135570526123,0.07401978168455359,929,1
OADMET-0001179,COCc1ccc(C(=O)NCc2noc(C(N)=O)n2)s1,2.66,2.5275668621063234,0.0963040595007985,69,0
OADMET-0001178,Cc1nnnn1CCC(=O)Nc1ccc2[nH]c(C(C)O)nc2c1,2.53,2.5625917434692385,0.0964685573700255,372,2
OADMET-0001177,COc1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1CO,4.84,4.75993766784668,0.066757809017284,928,0
OADMET-0001176,Cc1ccc2nc(CN3CCN(C)C(c4ccccc4)C3)[nH]c2c1C,4.47,4.301717281341553,0.1293794015018712,927,4
OADMET-0001175,CC(=O)N[C@@H](C)C(=O)Nc1cccc(-n2cccn2)c1,3.9,3.8882201671600343,0.12650663055473058,926,3
OADMET-0001174,Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)COCc2nc3ccccc3[nH]2)on1,3.81,3.4052112102508545,0.10001140197865817,348,1
OADMET-0001173,Cc1nn(C)cc1C(=O)NCC1CCCN(c2ccncc2)C1,3.3,2.931949090957642,0.07773853611730515,925,2
OADMET-0001172,CC(C)c1nccc(C(=O)N2CCc3n[nH]cc3C2)n1,2.43,3.407168245315552,0.1637121713913749,924,2
OADMET-0001171,CCCCC(=O)Nc1ccc(C)cc1NC(=O)Cn1nnnc1N,3.55,3.9153229236602782,0.244987981209897,111,3
OADMET-0001170,CCc1csc(CNC(=O)c2cc3ncccn3n2)n1,3.24,3.2086219787597656,0.09216317932085887,371,0
OADMET-0001169,CCn1cnnc1CCNC(=O)c1ccc(CN2CCCC2)o1,3.01,3.065733003616333,0.1070862750173796,335,0
OADMET-0001168,CCCCSCc1cc(C(=O)NC2(C(=O)O)CCCC2)oc1C,4.55,3.2826587677001955,0.16340220591318175,923,3
OADMET-0001167,Cc1ncn(CCNC(=O)c2cncc(O)c2)c1C,2.28,2.6356015682220457,0.09411545041791067,922,4
OADMET-0001166,CC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2)[C@H](O)C1,2.4,2.4606236934661867,0.0912313714123123,183,3
OADMET-0001165,COCc1nnc(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)s1,2.49,2.864369535446167,0.16500885175891794,921,0
OADMET-0001164,COC1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1,2.51,2.580394649505615,0.0519370351081983,920,0
OADMET-0001163,O=C(Nc1ccccc1Cl)N1CCC(n2cc(C3CCCCC3)nn2)CC1,3.93,4.157337188720703,0.05791957465493859,919,4
OADMET-0001162,Cc1nnc(CN(C)C(=O)NCC2CCCCC2)o1,3.5,3.668980836868286,0.1219297888799282,918,3
OADMET-0001161,CSCc1noc(CNC(=O)c2n[nH]c(=O)c3ccccc23)n1,3.62,3.4814496994018556,0.09371886847377851,917,2
OADMET-0001160,Nc1nnc(CNC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)s1,3.31,3.0375810146331785,0.1345346808066232,180,3
OADMET-0001159,Cc1csc(CN(C)CCCc2nccn2C)n1,3.41,3.6295005798339846,0.15173536646438782,916,1
OADMET-0001158,COCCc1nc(CNC(=O)N(C)Cc2noc(C3CC3)n2)no1,3.2,3.369571018218994,0.051910103977868834,68,2
OADMET-0001157,COc1ccc2ncn(CCc3n[nH]c(N)n3)c(=O)c2c1,3.15,2.28698468208313,0.0648881526539253,915,0
OADMET-0001156,CC(C)c1cc(CNC(=O)CC2C=CCC2)on1,4.16,4.625036811828613,0.11294617843139505,914,4
OADMET-0001155,Cc1nc2sccn2c1C(=O)NCc1ccc(S(N)(=O)=O)cc1,1.72,2.598314666748047,0.1425721060496039,370,1
OADMET-0001154,COc1c[nH]c(C(=O)N[C@H]2C[C@H](c3cc(=O)[nH]c(C4CC4)n3)C2)cc1=O,2.74,3.580649423599243,0.12141880184949178,913,3
OADMET-0001153,CNC(=O)c1ccc(CNC(=O)c2nnc3nc(C)cc(C)n23)o1,3.48,3.051123571395874,0.15887377032824973,912,2
OADMET-0001152,CCCn1ccnc1CN(C)CCc1ccccn1,3.86,4.216014766693116,0.06568100134156304,911,1
OADMET-0001151,COc1coc(CN2CCCn3nc(C#N)cc3C2)cc1=O,2.87,3.1330503463745116,0.05717679271601764,910,0
OADMET-0001150,CO[C@H]1CN(C2CSCCSC2)C[C@@H]1O,3.69,3.09350962638855,0.18501588689728002,909,3
OADMET-0001149,Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(CC(C)C)no1,4.71,4.873776054382324,0.06418647493476606,908,1
OADMET-0001148,O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cscn2)C1,2.59,2.120638537406921,0.18467700856996042,907,2
OADMET-0001147,COc1ccc2c(C)c(CC(=O)NCc3noc(C4CC4)n3)c(=O)oc2c1,3.72,4.391211032867432,0.08915644111848411,182,3
OADMET-0001146,CC(C)Nc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1,4.13,3.704946279525757,0.14267613812144786,906,1
OADMET-0001145,O=C(NCc1noc(C2CCCO2)n1)c1n[nH]c2c1CCC2,3.48,4.287197303771973,0.10835957215893965,905,0
OADMET-0001144,Cc1cccc(OC2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)c1,3.74,3.798451471328735,0.10854723938385391,369,1
OADMET-0001143,NS(=O)(=O)c1ccc(C(=O)N2CCCOC(Cn3cccn3)C2)cc1,3.04,3.0097838401794434,0.11625988275205378,904,4
OADMET-0001142,O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccc2c(c1)CCO2,4.24,4.128371334075927,0.12898291754997077,903,3
OADMET-0001141,O=C(c1cccc(-n2cnnc2)c1)N1CCCCC1CCc1ccccc1,4.41,5.069204235076905,0.14316553285633507,173,4
OADMET-0001140,CCCn1cnnc1CNC(=O)Nc1cccc(NS(C)(=O)=O)c1,2.77,3.8276968002319336,0.114997673349577,106,2
OADMET-0001139,Fc1cnc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1,3.79,4.7165168762207035,0.18948415760211473,902,2
OADMET-0001138,COc1ccc(N2CCN(Cc3cc(=O)c(OC)co3)C(C)C2=O)cc1,2.9,3.392199087142944,0.10630031839152607,901,1
OADMET-0001137,Cc1nc(N)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1,2.75,2.8145750045776365,0.13098082449117482,900,0
OADMET-0001136,CCCN(Cc1ccccc1OC)Cc1ccccc1C(=O)O,4.16,4.280077362060547,0.08699560642595258,7,3
OADMET-0001135,Cc1ncn(C)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1,2.22,2.1139383554458617,0.09299874324417666,899,4
OADMET-0001134,Cc1ccc(C)c(-c2nccn2C2CCNC2)c1,3.34,4.147925758361817,0.13488439081829626,898,3
OADMET-0001133,CC(CNC(=O)C1CCC(=O)N(C2CC2)C1)(c1ccccc1)c1ccccc1,4.61,5.071248531341553,0.13684399482517332,897,2
OADMET-0001132,O=C(CSCCN1CCCC1)N1CCC(OCc2ccccn2)CC1,2.67,3.449891948699951,0.07208638685712358,896,1
OADMET-0001131,Cc1csc(C(C)CNC(=O)c2ccc[nH]2)n1,3.75,3.740685510635376,0.10453744751396747,368,3
OADMET-0001130,Cc1cnc(N)c(-c2ccc(OC(C)C)cc2)c1,3.85,3.370253658294678,0.09609008852204791,367,4
OADMET-0001129,Cc1cccnc1N1CCN(C(=O)CN2CC(=O)NC2=O)CC1,2.76,2.2785574913024904,0.09445908899467259,895,4
OADMET-0001128,CCCn1nccc1S(=O)(=O)NCCCc1csc(N)n1,4.28,3.6604471683502195,0.053949012733212856,366,0
OADMET-0001127,CC(C)Cc1nc(CNC(=O)c2ccncc2F)no1,3.29,3.3866466999053957,0.11151772837735392,894,2
OADMET-0001126,COC(=O)c1ccc(-c2ccc(C(=O)N(C)CC(O)CO)cc2)c(CO)c1,2.5,2.9037190437316895,0.15667717242285903,893,2
OADMET-0001125,O=C(Nc1nc2c(F)cccc2s1)C1CCOC1,3.63,4.740288543701172,0.170261006452463,301,3
OADMET-0001124,Nc1[nH]nc(C(=O)NC(Cn2cccn2)c2ccccc2)c1Cl,4.12,4.233897161483765,0.22293120419314852,892,3
OADMET-0001123,COc1cc2c(cc1CN(Cc1ccccn1)CC1CCCO1)CCC2,4.26,4.8539807319641115,0.15394609120360508,891,2
OADMET-0001122,CC(C(=O)N1CCNC(=O)CC1)c1n[nH]c(=O)c2ccccc12,2.2,3.3787742137908934,0.12903353409019222,890,1
OADMET-0001121,CNC(=O)Cn1cc(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)cn1,2.84,2.8772345542907716,0.14940013262474958,889,0
OADMET-0001120,NS(=O)(=O)CC1CCN(C(=O)NCc2nc(-c3ccccn3)no2)C1,2.95,2.517813730239868,0.0647778886739434,67,1
OADMET-0001119,O=C(CCn1cc(Cl)cn1)N1CCC(CN2CCCC2=O)CC1,3.52,3.886938285827637,0.14823871941154917,365,0
OADMET-0001118,CNC(=O)C1CCN(c2ncc(Cl)cn2)C1,3.14,2.6806899070739747,0.1828418126200105,888,4
OADMET-0001117,Cc1nc(C)c(CNC(=O)CC2CCOC2)s1,3.42,2.767095184326172,0.10507114378755651,887,3
OADMET-0001116,O=C(CC1C=CS(=O)(=O)C1)N1CCC(OCc2cccnc2)CC1,3.21,3.0927918434143065,0.12517870097404288,364,2
OADMET-0001115,O=C(CN1C(=O)CNC1=O)NCCc1noc(C2CCCC2)n1,2.53,2.5754013061523438,0.06406907479885192,109,1
OADMET-0001114,Cc1nnnn1-c1cccc(NC(=O)c2cccc(-n3cnnc3)c2)c1,2.55,3.12805757522583,0.10136119318902423,110,4
OADMET-0001113,Cc1csc(CN2CCN(S(C)(=O)=O)CC2)n1,3.2,3.4116748332977296,0.09587097528409405,886,2
OADMET-0001112,Nc1nc(NCc2cc(-c3ccccn3)no2)cc(C2CC(O)C2)n1,3.08,2.7709532737731934,0.08146232506704813,885,1
OADMET-0001111,COc1c(F)cccc1C(=O)Nc1ccc2c(c1)CC(C)O2,4.24,4.824058723449707,0.08392562825951806,884,0
OADMET-0001110,CC(NC(=O)c1cc(C2CC2)[nH]n1)c1nnc(CC(=O)O)[nH]1,2.74,2.5851094722747803,0.04558102801619949,186,1
OADMET-0001109,O=C(CN1C(=O)CNC1=O)NCc1n[nH]c2c1CCCCC2,2.47,2.5765291690826415,0.06624166633998607,883,4
OADMET-0001108,CC(C)Cn1cncc1CNC(=O)c1cncc(F)c1,3.16,3.3723659038543703,0.06564632010430974,181,0
OADMET-0001107,CCc1ocnc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1,2.23,2.4207350730896,0.1144847255913562,882,3
OADMET-0001106,CCS(=O)(=O)NCC1CN(C(C)=O)CCO1,2.45,3.387372446060181,0.17100681858520703,881,1
OADMET-0001105,COc1ccccc1-n1cc(C(C)NC(=O)Cc2c[nH]c(=O)[nH]c2=O)cn1,2.88,3.0046302318572997,0.0695789204038961,107,0
OADMET-0001104,Cc1ccc2[nH]c(C(NC(=O)Cn3nnnc3N)C(C)C)nc2c1,3.73,3.326791858673096,0.14240546358150402,111,3
OADMET-0001103,CCc1ccc(C(=O)N(C)Cc2ncccc2C)[nH]1,3.94,4.795967960357666,0.10593815702530397,880,4
OADMET-0001102,COc1ccc(CN(Cc2ccccn2)C(=O)NCC2CCN(C)C2)cc1,3.53,4.384187984466553,0.14980872049076657,178,3
OADMET-0001101,O=C(c1ccccn1)C1CCCN(C(=O)NCCc2noc(C3CC3)n2)C1,4.26,3.875802755355835,0.14977751683864282,109,1
OADMET-0001100,CS(=O)(=O)NCCC(=O)N1CCCC(OCc2cccnc2)C1,3.43,3.2270356178283692,0.15057525537815436,364,2
OADMET-0001099,OC1(CCNc2ccc(Cl)cn2)CCCC1,3.92,3.9223065853118895,0.09696968898354015,879,0
OADMET-0001098,CCCn1cc(CN2CCCC(c3nnc4ccccn34)C2)c(C)n1,3.49,4.327956295013427,0.0789163258116621,878,4
OADMET-0001097,CCCCC1CCCN1C(=O)NCc1ccc(O)cc1,4.31,4.763952350616455,0.18066772877530882,363,3
OADMET-0001096,CCCn1cc(NC(=O)N(C)Cc2cc(-c3ccncc3)no2)nn1,2.3,2.887032222747803,0.05287315803311022,877,3
OADMET-0001095,CCc1nc(C)c(C(=O)NC2COc3c(cccc3OC)C2)o1,3.87,4.1632311820983885,0.11891585299988155,876,2
OADMET-0001094,CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1nc(COC)no1,3.09,4.086373805999756,0.13701981239235314,875,1
OADMET-0001093,COc1ccc(NC(C)(C)C(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cc1,4.08,4.7109705924987795,0.0973952410014516,298,4
OADMET-0001092,Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCCC3)c2)c1,4.82,4.318621635437012,0.12416835304338618,874,0
OADMET-0001091,CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cn1,4.1,3.7886893272399904,0.11627289024182838,873,4
OADMET-0001090,COc1ccc(CNCCCc2ccccc2F)c(OC)c1C,4.32,4.703376960754395,0.08009322220489767,872,3
OADMET-0001089,CC(NC(=O)Nc1cccc(N2CCN(C)C2=O)c1)c1nnc(N)s1,2.55,3.6823609828948975,0.06548672656013697,871,2
OADMET-0001088,CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2ccsc2)c1,5.11,5.26354751586914,0.07986266181412098,362,4
OADMET-0001087,OCC1(CC2CC2)CCCN(c2nc(-c3ccccc3)no2)C1,4.88,5.126039505004883,0.19513249343289946,870,1
OADMET-0001086,CN(C)C(=O)N1CCOCC1CC(=O)NCCc1ccccn1,3.39,3.4751710414886476,0.09456898720736305,869,0
OADMET-0001085,CCCOC1CCCN(C(=O)CCn2cncn2)C1,3.53,3.5702726364135744,0.07171380809653514,868,3
OADMET-0001084,CCc1nnc(CN(C)Cc2nccn2C2CC2)o1,3.46,3.6810280799865724,0.07962447447159568,867,4
OADMET-0001083,CN(C)CCOc1ccc(CN2CCN(Cc3nccn3C)CC2)cc1,3.46,2.9502569675445556,0.04752983606363955,340,0
OADMET-0001082,COc1ccc(-c2n[nH]cc2CNC(=O)C2CC3(CCNCC3)CN2)cc1,2.11,2.8998785972595216,0.0707602198667316,866,2
OADMET-0001081,CO[C@H]1CN(C(=O)CCc2ccc(C)cc2C)C[C@@H]1O,3.64,3.8041442394256593,0.1773903468154528,865,3
OADMET-0001080,CCCN(CC1CC1)C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1,5.22,5.3228472709655765,0.09319809371565291,864,4
OADMET-0001079,CC(C)c1cc(CN(C)C(=O)NCc2nc(-c3ncccn3)no2)on1,3.43,3.831550884246826,0.061605979470364676,361,0
OADMET-0001078,CCN1CCCCC1CNc1ncc(C#N)c(N)n1,2.93,2.3615667819976807,0.11697235428897332,863,3
OADMET-0001077,O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cncc(F)c1,3.91,4.152693843841552,0.09278003247659729,181,0
OADMET-0001076,CC(C)C(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ncnn1C,4.87,5.003846645355225,0.061657944388320805,862,2
OADMET-0001075,Cc1nnc(CCNC(=O)c2ccc3nccn3c2)s1,2.27,2.673188877105713,0.10813534380077403,861,1
OADMET-0001074,NC(=O)c1noc(CNC(=O)c2ccc(Oc3ccccc3)o2)n1,3.04,3.1438926219940186,0.13192973251198162,860,0
OADMET-0001073,CC(C)c1ccc(NC(=O)NCCc2ncnn2C)cc1,3.98,3.7501165866851807,0.0708674599465875,859,4
OADMET-0001072,CC1CCC(=O)N1c1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1,3.62,3.3399199485778808,0.15915565468900417,360,2
OADMET-0001071,O=C(NCC1CCN(Cc2ncc[nH]2)CC1)c1ccsc1,2.86,2.738534355163574,0.07129444512257468,858,3
OADMET-0001070,Cc1nc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1,3.61,4.609781646728516,0.077016444478768,359,4
OADMET-0001069,CC(Oc1ccccc1CN1CCN(C(=O)N(C)C)CC1)C(=O)O,2.67,2.7795705795288086,0.10540547752120343,857,2
OADMET-0001068,Cc1cc(CN(C)Cc2cccc(O)c2)c(C)c(CN2CCN(C)CC2)c1,3.97,3.6091537475585938,0.14398387038994365,856,1
OADMET-0001067,O=c1c2cccc(F)c2ncn1CC1CCCOC1,3.11,4.5427874565124515,0.08577632237404216,855,0
OADMET-0001066,COCCc1noc(C(C)NC(=O)Cn2c(C)cc(C)nc2=O)n1,2.42,2.9828561305999757,0.08164320654779103,352,2
OADMET-0001065,O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCCO,3.31,3.4776352882385253,0.11983055590616297,854,4
OADMET-0001064,COc1cccc(CNC(=O)N2CCC(NC(C)=O)C2)c1OC,3.14,3.7368855476379395,0.04354677754085082,67,1
OADMET-0001063,Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Oc2nnn[nH]2)cc1,2.44,1.8418028116226197,0.06544467145332188,66,3
OADMET-0001062,CCc1noc(CN(CC)C(=O)c2ccc(-c3cc(C)n[nH]c3=O)cc2)n1,3.3,3.2533379077911375,0.08280659293668195,346,3
OADMET-0001061,Cn1nnnc1SCCNC(=O)N1CCN(c2ncccc2C#N)CC1,4.08,3.2469409465789796,0.030308733615784716,358,3
OADMET-0001060,Fc1cccc(CN2CCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)c1,3.97,3.6831100463867186,0.0764821920521431,357,4
OADMET-0001059,O=C(NCc1nc(C2CCCCC2)no1)c1cc(=O)n(-c2ccccc2)[nH]1,3.61,4.30155668258667,0.07594941382509672,853,2
OADMET-0001058,CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)nc1,4.1,4.577735424041748,0.14435144897493338,356,3
OADMET-0001057,Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1csc(N)n1,3.65,2.670449161529541,0.07086901716685337,852,0
OADMET-0001056,CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(CN(C)C)o1,3.92,4.9685869216918945,0.1158739251028928,111,3
OADMET-0001055,COc1cccc(CCNC(=O)N2CCC(CS(N)(=O)=O)C2)c1OC,2.8,3.564207649230957,0.1052488540572237,67,1
OADMET-0001054,CC1(C(=O)NCc2noc(C(N)=O)n2)CCCCO1,2.56,2.6599746227264403,0.20355205605338872,69,0
OADMET-0001053,CC(C)Cc1cc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)on1,4.64,4.517655754089356,0.08172809319954918,851,1
OADMET-0001052,O=C(c1nc2cccnc2[nH]1)N1CCCC(c2nnc[nH]2)C1,2.85,2.40276460647583,0.07893492597132296,850,0
OADMET-0001051,CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)Cn1nnnc1N,2.49,2.8630639553070067,0.02535469245107704,849,4
OADMET-0001050,O=C(NC1CCN(CC2CCCO2)CC1)c1ccncc1Cl,2.16,2.7235802173614503,0.10769076814177432,848,3
OADMET-0001049,CC(C)Cc1cc(CNS(=O)(=O)c2cc(C(N)=O)cs2)on1,4.01,4.259837532043457,0.0628837576256466,847,2
OADMET-0001048,COCCOc1ccccc1NC(=O)NCc1nnc(N)s1,2.97,3.3574532985687258,0.21369194678762266,180,3
OADMET-0001047,COCCn1nnnc1C1CN(C(=O)CCn2nc(C)cc2C)CCO1,3.79,4.046752977371216,0.06977867263427603,846,1
OADMET-0001046,COc1ccccc1CCN1CCCC(CN(C)S(=O)(=O)N2CCCC2)C1,4.23,4.990651798248291,0.14280618689893237,845,0
OADMET-0001045,Cn1ccnc1C1CCN(Cc2c(F)cccc2Cl)CC1,4.29,4.214331340789795,0.11567669977993789,844,4
OADMET-0001044,CC(C)c1nnsc1CNC(=O)[C@@H]1COC(=O)N1,3.2,2.436591053009033,0.214799700392194,843,3
OADMET-0001043,C1=C([C@@]23CCCN(Cc4ccccn4)[C@H]2CCOC3)CCOC1,3.76,3.5018360137939455,0.16156126609236568,842,2
OADMET-0001042,Nc1nc(CCCNC(=O)C2Cc3ccccc3S(=O)(=O)N2)cs1,3.87,3.8223724365234375,0.1653735861589751,339,1
OADMET-0001041,NCc1ccc(C(=O)NCCc2nc(N)cc(O)n2)cc1,3.76,2.59956316947937,0.07691007704547892,841,1
OADMET-0001040,CCNc1ncc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cn1,3.08,4.549542808532715,0.14291114973389896,355,4
OADMET-0001039,Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCc1nnn[nH]1)O2,3.33,4.012042999267578,0.09301056748974793,840,0
OADMET-0001038,COc1cccc(-c2ccnn2C(C)C)c1OC,3.97,4.446756839752197,0.1425920083237684,839,3
OADMET-0001037,O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccon1,2.68,3.2725887298583984,0.18060972727852523,838,1
OADMET-0001036,CC(C)N1CCOC(CC(=O)N(C)CCN2CCCC2)C1,2.5,3.2761150360107423,0.1486697731471189,837,1
OADMET-0001035,Cc1nc2ccccn2c1CC(=O)N1CCCN(S(C)(=O)=O)CC1,3.12,3.79117956161499,0.15035876237916285,108,0
OADMET-0001034,COCCN(C)C[C@@H]1CN(C(=O)c2cnc(C)nc2-c2ccccc2)C[C@@H]1CO,3.56,3.91817364692688,0.15920572491611049,836,2
OADMET-0001033,CN(Cc1cccnc1)Cc1cnn(CCC(=O)O)c1,2.04,2.435998058319092,0.052399505406183176,835,1
OADMET-0001032,CCOC(=O)N1CCC(NCc2n[nH]c(N)n2)CC1,2.5,2.656679964065552,0.06465879399867262,834,0
OADMET-0001031,Nc1nnnn1CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1,3.73,3.0105684757232667,0.07302812872340879,14,1
OADMET-0001030,COCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)n1,3.39,3.024927186965942,0.11474717886599434,344,1
OADMET-0001029,Cc1nnc(CCNC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)s1,2.7,3.425810718536377,0.08033774471399925,833,4
OADMET-0001028,CC(NC(=O)c1n[nH]c(N)c1-c1ccccc1)c1nncn1C(C)C,3.44,3.901047945022583,0.1716909667672443,832,3
OADMET-0001027,Cc1nnnn1CCC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1,3.67,3.3534613132476805,0.07471309213278321,831,2
OADMET-0001026,COc1ccc(OCc2nnc([C@H]3C[C@@H](N)C3)n2C)c(Cl)c1,2.94,3.0928961753845217,0.08522411218855991,830,1
OADMET-0001025,COCCCN1CC2(CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1=O,2.39,3.577843523025513,0.13032653004623018,829,0
OADMET-0001024,Cc1n[nH]c(SCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n1,4.24,4.105547666549683,0.13664473387229661,354,0
OADMET-0001023,COCc1ccc(C(=O)N(Cc2cccc(OC)c2OC)C2CCCC2)s1,5.58,5.090128612518311,0.08699299752069574,828,4
OADMET-0001022,Cn1ncnc1C(NC(=O)CCn1ccc(=O)[nH]c1=O)C1CC1,2.31,2.8442855358123778,0.03156117254130035,827,3
OADMET-0001021,CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c(=O)[nH]1,1.62,3.535857915878296,0.11001146650776442,353,1
OADMET-0001020,COc1ccc(C(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)[C@H]2C[C@@H](O)C2)cn1,2.74,2.272194337844849,0.11233252529551443,107,0
OADMET-0001019,O=C(CN1CCCCC1=O)Nc1ccc(Oc2nnn[nH]2)cc1,2.31,1.9054765224456787,0.02921705141682081,10,1
OADMET-0001018,CCCOC1CCCN(CCc2c[nH]c(=O)n(C)c2=O)C1,3.34,2.608225870132446,0.10833756538210106,826,2
OADMET-0001017,Cc1csc(NC(=O)C(C)N2CCC3(CC2)C(=O)NCCCN3C)n1,4.26,3.922537899017334,0.18950126138815465,825,0
OADMET-0001016,CNS(=O)(=O)c1ccc(CCC(=O)NCc2nc(COC)no2)cc1,3.28,3.1995271682739257,0.09272510559401216,69,0
OADMET-0001015,CN1CCN(Cc2ccc3c4c(cccc24)C(=O)OC3)CC1c1ccccc1,4.0,4.801365947723388,0.19194339253586157,824,3
OADMET-0001014,O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCCCn2nnnc21,4.11,4.53284273147583,0.06950424187930344,823,4
OADMET-0001013,CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc(=O)[nH]1,2.37,3.497373867034912,0.25721734047207434,822,3
OADMET-0001012,Cc1nc(-c2ccc(CNC(=O)CC3C(=O)N(C)C(=O)N3C)cc2)no1,3.47,2.6132421493530273,0.1238298404275065,821,2
OADMET-0001011,Cc1cc(C)n(CCCNC(=O)N2CCC(CS(N)(=O)=O)C2)n1,3.14,3.026560831069946,0.1403276217054082,67,1
OADMET-0001010,CCCc1nnsc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1,5.6,4.993759059906006,0.04587496215921798,820,1
OADMET-0001009,Cn1ccnc1C(NC(=O)Cn1nnnc1N)c1ccccc1,3.21,3.2778513431549072,0.11561017364565779,179,2
OADMET-0001008,O=C(NCCn1cnnn1)c1nccnc1C(=O)N1CCCCC1,2.78,3.0673032283782957,0.29423747217085483,819,0
OADMET-0001007,CCc1oc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1CN1CCCC1,1.63,3.6197112560272218,0.12094822751573854,818,4
OADMET-0001006,CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSc1ccccn1)C2,4.26,5.837780952453613,0.12055126166886128,817,3
OADMET-0001005,O=C(CN1C(=O)CNC1=O)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1,2.67,2.2667537212371824,0.040292314224252175,53,1
OADMET-0001004,O=C1NC2(CCOCC2)C(=O)N[C@H]1Cc1c[nH]cn1,2.79,2.6223233699798585,0.08670342505924451,816,2
OADMET-0001003,CC(C)c1noc(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)n1,3.49,2.9610512256622314,0.041710148551749086,815,1
OADMET-0001002,CN(C)C(=O)c1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)o1,3.6,3.232060194015503,0.06287334425629625,814,0
OADMET-0001001,COCCc1noc(C(C)NC(=O)c2nonc2C)n1,2.92,3.1523093223571776,0.14064206051824452,352,2
OADMET-0001000,CCN(Cc1cnn(CC)c1)C(=O)NCC1CCN(C)CC1,2.65,2.907126617431641,0.08847682224366019,178,3
OADMET-0000999,CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2ccno2)cs1,4.84,4.670246315002442,0.07547505559893575,813,4
OADMET-0000998,CCc1nccn1CCCNC(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1,2.57,2.1457115173339845,0.07579628323148119,812,2
OADMET-0000997,COc1cccc(-c2ncc(CNC(=O)CC3NC(=O)NC3=O)s2)c1,3.07,3.521964502334595,0.11920818909274476,811,1
OADMET-0000996,COc1ccc(C(NS(=O)(=O)c2ccc(C)c(C)c2)[C@H]2C[C@@H](O)C2)cn1,4.55,4.81264591217041,0.07727935790804726,107,0
OADMET-0000995,COCCNC(=O)c1cccc(S(=O)(=O)NCCc2cnccn2)c1,2.93,3.6453169345855714,0.07728250350693627,810,0
OADMET-0000994,COc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC,3.14,3.1034918785095216,0.08452217793200334,177,4
OADMET-0000993,COc1ccccc1S(=O)(=O)Nc1c(C)nn(CC(=O)O)c1C,2.75,3.769666004180908,0.196789281867655,351,3
OADMET-0000992,CNC(=O)Cc1ccc(NC(=O)NCC2CCCN(S(C)(=O)=O)C2)cc1,3.26,3.016014242172241,0.0830362258505511,809,4
OADMET-0000991,O=C(O)c1n[nH]cc1CN1CCC(c2nnc[nH]2)CC1,3.17,2.3775205612182617,0.06647108599188535,350,4
OADMET-0000990,CCn1cc(-c2ccc(C(=O)NCCCc3cccc(OC)c3)cc2)cn1,4.39,4.0664297580719,0.11429215138535674,808,2
OADMET-0000989,CS(=O)(=O)N1CCC(Oc2ccccc2F)CC1,3.63,4.457807445526123,0.12327429134474273,349,0
OADMET-0000988,Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(C)c3nc(N)sc3c2)on1,3.79,3.527245616912842,0.1978426278274784,348,1
OADMET-0000987,CC(C)Cc1nc(CN(C)S(=O)(=O)C2CCS(=O)(=O)C2)no1,4.19,3.761519432067871,0.15704534457628774,347,2
OADMET-0000986,Cc1c(C(C)NC(=O)C(C)(C)n2cccc2)cnn1C,3.86,4.665825271606446,0.10541549160810648,807,1
OADMET-0000985,CC1(c2ccccc2)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1,4.55,4.139642810821533,0.059908127495440944,806,0
OADMET-0000984,CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2coc3ccccc23)C[C@H]1O,3.92,4.223406744003296,0.24022390323374926,805,4
OADMET-0000983,CC(=O)c1c(C)nn(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)c1C,2.32,2.54211540222168,0.1298736324273857,804,3
OADMET-0000982,CCC(NC(=O)c1cnc(N)s1)c1nc(C)c[nH]1,3.01,2.525264930725098,0.14853889416401353,803,2
OADMET-0000981,CCc1noc(CN(CC)C(=O)Nc2cccc(NS(C)(=O)=O)c2)n1,3.99,4.099297285079956,0.24294068802616903,346,3
OADMET-0000980,Cc1n[nH]c(SCC(=O)NC(c2ccccc2)c2nnc(N)s2)n1,2.74,3.6791959762573243,0.074870280767668,802,1
OADMET-0000979,COc1ccc(NC(=O)CCCn2cncn2)cc1NC(=O)c1ccco1,3.6,3.552454042434692,0.1545573244112349,801,0
OADMET-0000978,COc1cc(N2CCCC(c3nc4c(C)cccc4[nH]3)C2)nc(N)n1,4.25,4.640721416473388,0.08290439566387503,345,2
OADMET-0000977,O=C(Nc1ccc(Oc2nnn[nH]2)cc1)c1ccc(Cn2cccn2)o1,2.68,1.868050456047058,0.09873745837485386,66,3
OADMET-0000976,CS(=O)(=O)Nc1cccc(NC(=O)NCC2(O)CCCCC2)c1,3.81,3.8964884281158447,0.044912131044216236,106,2
OADMET-0000975,CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(=O)cc(C)o1,3.28,3.304144191741943,0.15818290139580432,800,4
OADMET-0000974,COCc1noc(CCNC(=O)Nc2cccc3nsnc23)n1,3.64,3.406237077713013,0.10465605491518268,344,1
OADMET-0000973,COC(=O)c1cc(C#N)c(N(C)Cc2noc(C(C)C)n2)nc1C,4.06,4.851204586029053,0.05036408711808537,799,3
OADMET-0000972,CC(=O)NCCC1CCCCN1S(=O)(=O)Cc1ccc(Cl)cc1,4.36,4.870233345031738,0.08655228347187102,798,2
OADMET-0000971,Cc1cc(C(=O)N[C@@H]2CCN(Cc3nc(C(C)C)no3)C[C@H]2O)no1,3.09,2.7185475826263428,0.10739813311705186,797,0
OADMET-0000970,CCc1nnc(CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)s1,4.25,4.634470844268799,0.1618857420422545,106,2
OADMET-0000969,Cc1noc(-c2ccc(S(=O)(=O)NCCCn3ccnn3)o2)c1C,3.92,3.900468349456787,0.1004438580656303,796,3
OADMET-0000968,CCCSCc1nc(-c2ccc(C)nn2)no1,3.94,3.600615406036377,0.07042866438423254,795,4
OADMET-0000967,Cc1ccc2c(C)c(C(=O)O)oc2c1C,3.13,2.75423641204834,0.061761068530228974,134,0
OADMET-0000966,CC(C)C(=O)Nc1cccc(C(=O)NCc2noc(-c3ccco3)n2)c1,3.9,4.140174293518067,0.11961496464539301,336,1
OADMET-0000965,Cc1nonc1CNC(=O)c1cnn2cc(CCO)cnc12,2.96,2.798122501373291,0.11287243460560868,794,3
OADMET-0000964,CN(C)c1nc(N)nc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n1,3.15,3.3042723655700685,0.164191314274156,343,2
OADMET-0000963,c1coc(-c2noc(CNCc3cccnc3-n3cncn3)n2)c1,3.93,3.0814594268798827,0.12875937103624693,793,2
OADMET-0000962,NS(=O)(=O)c1ccc(Cl)c(NC(=O)NC2COC3(CCCCC3)C2)c1,4.39,4.25568323135376,0.12145966919697415,792,1
OADMET-0000961,Cn1cc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)cn1,2.44,2.4507470607757567,0.15511778801880102,342,3
OADMET-0000960,COCCCN1CCCC(c2nccn2CC2CCC2)C1,3.63,4.605689620971679,0.12478294774955673,791,0
OADMET-0000959,O=C(NCc1cc(C2CC2)on1)c1c[nH]c2ncnn2c1=O,2.7,2.4458755970001222,0.14161090070680513,790,4
OADMET-0000958,CNC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1,2.56,2.5156811237335206,0.17144680762696093,341,4
OADMET-0000957,CN(C)CCCOc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1,3.56,3.260000991821289,0.0969882631563076,340,0
OADMET-0000956,N#Cc1cccnc1N1CCC(NC(=O)C2CCC(=O)NC(=O)N2)CC1,2.94,2.566018009185791,0.1116565871318766,789,3
OADMET-0000955,COc1cccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)c1OC,3.66,3.826992130279541,0.1060556938936976,788,2
OADMET-0000954,Cc1cc(=O)cc(C(=O)NCCCc2csc(N)n2)[nH]1,2.48,3.362418031692505,0.12764434842704644,339,1
OADMET-0000953,CC(C)c1noc(C(C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n1,2.73,2.7254922866821287,0.09717616433218514,787,1
OADMET-0000952,Fc1cc(-c2ccc(Cn3ccnc3)cc2)c2ncccc2c1,3.99,4.461530113220215,0.11123774297783996,786,0
OADMET-0000951,Cc1n[nH]nc1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C,3.33,2.867174482345581,0.11870977319574022,785,4
OADMET-0000950,Cc1nc(C(C)NC(=O)c2cccn2C)c(C)s1,3.79,3.7548012733459473,0.2131805230083782,784,3
OADMET-0000949,Cc1cc(C)n(CC(=O)NCC2CCN(C(=O)c3csc(N)n3)CC2)n1,3.08,2.892852783203125,0.0904710725236437,338,1
OADMET-0000948,Cc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC(N)=O)CC1,3.13,2.7929364681243896,0.11352982289984995,783,1
OADMET-0000947,COc1ccc(-c2cn(CCn3[nH]c(=O)c4ccccc4c3=O)nn2)cn1,2.15,4.253132343292236,0.0811232576939895,782,4
OADMET-0000946,CNC(=O)c1noc(CN2CCC3(CC2)Nc2ccccc2NC3=O)n1,2.52,3.1940545558929445,0.12890434286060037,781,4
OADMET-0000945,CNc1nc(C)cc(-c2ccc(C(=O)NCCc3n[nH]c(=O)n3C)cc2)n1,3.26,2.865007019042969,0.09463103548068687,780,0
OADMET-0000944,O=C(CCc1nc2ccccc2nc1O)NCc1n[nH]c(=O)[nH]1,2.54,2.2676321983337404,0.08092723142767044,779,4
OADMET-0000943,CCc1nc(CN(C)C(=O)NCc2nc(C(=O)NC)no2)no1,2.61,2.473751401901245,0.14570455541534708,68,2
OADMET-0000942,CCc1ccc(-c2cc(C(=O)NCCCc3nnn[nH]3)[nH]n2)cc1,2.26,2.3647440910339355,0.0838223903141435,337,2
OADMET-0000941,COc1cccc(-n2cc(CN(C)C(=O)c3c[nH]nc3-n3cnnn3)cn2)c1,3.86,3.9273173332214357,0.15467826647776262,778,3
OADMET-0000940,CCc1nc(CC2CN(C(=O)CN3C(=O)OC(C)(C)C3=O)CCO2)no1,3.09,3.032869052886963,0.07670967723923004,777,2
OADMET-0000939,CCCN(CCC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1,4.76,4.65763750076294,0.07621527853401919,776,1
OADMET-0000938,Cn1c(C(=O)NCCCc2nnc(N)s2)cc(=O)n(C)c1=O,2.34,2.4611669540405274,0.11697972690248788,176,0
OADMET-0000937,Cc1nccc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)n1,2.83,3.4501009941101075,0.09673880542160598,775,0
OADMET-0000936,Cc1nc(N(C)C)ncc1C(=O)NCc1noc(-c2ccco2)n1,3.96,3.6651884078979493,0.11453797581709249,336,1
OADMET-0000935,Cc1cc(=O)[nH]c(SC(C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1,2.59,2.338247299194336,0.05673306492405922,774,4
OADMET-0000934,COCc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc([C@H]2C[C@@H](N)C2)n1,2.14,2.381086015701294,0.12725652833015225,773,3
OADMET-0000933,Cc1cc(C)n(CCNS(=O)(=O)c2cc(-c3ccno3)ccc2C)c(=O)n1,4.05,4.113547325134277,0.15124584910364652,772,2
OADMET-0000932,COCCc1noc(CN(C)Cc2c[nH]nc2C(=O)O)n1,2.64,3.199697732925415,0.06363975787984125,771,1
OADMET-0000931,Cc1nc(CNC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c1CCCC2,4.35,3.987883472442627,0.13598095784960412,770,0
OADMET-0000930,CCn1cnnc1CCNC(=O)c1cnc2c(c1)nc(N)n2CC,2.76,2.517045831680298,0.14834105020468244,335,0
OADMET-0000929,O=C(NCc1n[nH]c(=O)[nH]1)Nc1cccc(OCC(=O)N2CCOCC2)c1,2.13,2.619294548034668,0.11613714355914413,175,2
OADMET-0000928,CC(Cn1cncn1)C(=O)N1CCCN(C(=O)c2c[nH]c(=O)[nH]2)CC1,1.88,2.461498498916626,0.09208781227459782,769,3
OADMET-0000927,CC(=O)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)[nH]n1,2.32,2.5764734745025635,0.01735805726331165,768,1