openadmet_id,smiles,true_pEC50,pred_t16_uncal,pred_t16_cal,butina_cluster,fold,is_cliff,sample_weight
OADMET-0006089,CC1C2CCCCC2CN1C(=O)c1cc(F)cc2c1CNCC2,5.27,4.834368069966634,4.821480836236933,2976,0,0,1.0
OADMET-0006088,CN(C(=O)c1ccccc1SCC(=O)N1CCc2ccccc21)C1CCNC1,5.08,4.870822111765544,4.821480836236933,2975,1,0,1.0
OADMET-0006087,O=C(C1CCCC1)N1CC(S(=O)(=O)NC2CC2c2c(F)cccc2F)C1,5.12,4.812299569447835,4.821480836236933,2974,3,0,1.0
OADMET-0006086,CC1CN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CCN1c1nccn2cnnc12,5.23,4.848663806915283,4.821480836236933,2973,4,0,1.0
OADMET-0006085,CC1(c2noc(C3=NN(Cc4ccc(F)cc4)C(=O)CC3)n2)CCC1,5.28,4.96600357691447,4.988000000000001,2972,0,0,1.0
OADMET-0006084,COc1ncnc(OC)c1C(=O)N1CCC(Cc2ccc(F)cc2)C1,4.5,3.5291927655537925,3.5503846153846155,105,2,1,2.0
OADMET-0006083,CCS(=O)(=O)N1CCC(c2ccccc2)(c2nc(Cc3cnc(C4CC4)o3)no2)CC1,4.66,4.869342645009358,4.821480836236933,717,3,0,1.0
OADMET-0006082,Fc1ccc(C2CCC(n3cc(C4CCNCC4)nn3)C2)cc1F,5.18,4.165438334147136,4.355306748466257,2971,1,0,1.0
OADMET-0006081,CC(C)c1ccc(CNC(=O)NCC2CC3(CC3)S(=O)(=O)N2)cc1,4.31,4.144846677780151,4.311111111111112,2970,2,0,1.0
OADMET-0006080,Cc1nnc2ccc(-c3noc(C4CC(C)(C)Oc5ccccc54)n3)cn12,4.24,4.119231541951497,4.164821428571428,280,0,0,1.0
OADMET-0006079,CN(CC1CCCCC1O)C(=O)NCC1CCN(CC(F)(F)F)CC1,5.3,4.605747222900391,4.776467889908257,2969,3,0,1.0
OADMET-0006078,CCCOc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cc1,4.19,4.852150281270345,4.821480836236933,2968,4,0,1.0
OADMET-0006077,COCC(NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(Br)c1,5.07,5.516301155090332,5.284131355932205,2967,0,0,1.0
OADMET-0006076,Cc1ccc(NCc2cccc3ccccc23)cc1-n1cnnn1,5.12,5.292491436004639,5.067031249999999,2966,1,0,1.0
OADMET-0006075,O=C(Cc1cc2cc(Cl)ccc2[nH]1)N[C@H]1CCCc2cccnc21,5.03,4.975855668385823,4.988000000000001,268,1,0,1.0
OADMET-0006074,Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(C3CCCO3)C2)c1,5.14,5.377506732940674,5.2117424242424235,287,4,0,1.0
OADMET-0006073,O=C(CNS(=O)(=O)c1ccccc1F)N1C[C@H]2C[C@H](c3ccccc3)[C@H]2C1,5.07,5.001108169555664,4.998154761904762,2965,2,0,1.0
OADMET-0006072,Cc1nocc1Cc1noc(-c2cccn(CC(C)C)c2=O)n1,5.44,4.728025595347087,4.817948717948719,766,1,0,1.0
OADMET-0006071,Cc1cc(F)ccc1Cc1noc(C2CCc3nccn3C2)n1,3.96,4.37895139058431,4.477399999999999,2964,3,1,2.0
OADMET-0006070,COC(c1noc(Cc2cc(C)on2)n1)c1ccccc1Cl,4.36,5.038376013437907,4.9999852507374625,2963,4,0,1.0
OADMET-0006069,CC(C)Oc1ccccc1CC(=O)NC1CCN(Cc2ccccc2)C1=O,5.19,5.287701924641927,5.067031249999999,99,3,1,2.0
OADMET-0006068,O=C1CCCN1[C@H]1CCCC[C@H]1c1nc(-c2cnn(CCF)c2)no1,4.76,4.701066176096599,4.817948717948719,2962,0,0,1.0
OADMET-0006067,COc1cc(NCCNC(=O)c2cnn3c2NCCC3)cc(OC)c1,4.74,4.759146054585774,4.817948717948719,2961,1,0,1.0
OADMET-0006066,O=C(NCc1c[nH]c(=O)c2ccccc12)N1CC2(CC=CC2)C1c1ccccc1,5.02,5.170510133107503,4.9999852507374625,291,4,0,1.0
OADMET-0006065,Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC3(CCC3)C2)c(C)cc1Cl,5.2,5.755334854125977,5.284131355932205,2960,2,0,1.0
OADMET-0006064,CC(C)(C)OC(=O)N1CC2(CCCC2)CCC1CN1CCCN(C(N)=O)CC1,4.61,5.159042835235596,4.9999852507374625,2959,3,0,1.0
OADMET-0006063,CCc1nn(Cc2cccc3c2CCOC3)c(=O)c(C#N)c1CC,5.44,5.150134722391765,4.9999852507374625,641,3,0,1.0
OADMET-0006062,O=C(NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2)c1cnc2ccccc2c1,4.81,3.7115046183268228,3.8408219178082192,2958,4,0,1.0
OADMET-0006061,Cc1nccn1-c1ncccc1CNC1CCCc2ccc(F)cc21,4.69,5.132044156392415,4.9999852507374625,2957,0,0,1.0
OADMET-0006060,CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(Br)o1,4.87,5.007359981536865,4.998154761904762,300,0,0,1.0
OADMET-0006059,CCC(=O)NC(C(=O)N1CC=C(c2cccs2)CC1)c1ccccc1,4.45,4.722559452056885,4.817948717948719,2956,1,0,1.0
OADMET-0006058,O=C(NC1(c2c(F)cccc2F)CCC1)C1CNCc2ccccc21,5.26,5.46043586730957,5.269615384615386,2955,2,0,1.0
OADMET-0006057,CCOc1ccc(C(=O)N(C)CCc2ccc(O)c(OC)c2)cc1C,4.48,5.06017541885376,4.9999852507374625,2954,1,0,1.0
OADMET-0006056,COC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCc1n[nH]c2ccccc12,4.58,4.145464897155762,4.355306748466257,2953,0,0,1.0
OADMET-0006055,CC(C)Cn1cc(C(=O)N2CCCC2c2ccc3c(c2)OCO3)cn1,4.95,5.420904318491618,5.262777777777777,746,4,0,1.0
OADMET-0006054,Cc1cnn(C)c1S(=O)(=O)N(C)CCNc1ccccn1,4.68,4.107298692067464,4.164821428571428,2952,4,0,1.0
OADMET-0006053,Cc1cccc(C2CCCN2C(=O)CCn2c(=O)n(C)c3ccccc32)n1,5.31,5.164896011352539,4.9999852507374625,767,2,0,1.0
OADMET-0006052,CCN1N=C(c2ccccc2)C(C(=O)Nc2ccccc2F)C1=O,4.6,3.941312074661255,3.916360294117648,2951,4,0,1.0
OADMET-0006051,CCCOC1(c2noc(-c3cc(=O)[nH]c(C4CC4)n3)n2)CCCCC1,5.11,4.627575397491455,4.776467889908257,2950,0,0,1.0
OADMET-0006050,O=C1NC(Cc2ccccn2)C(=O)N1CCc1cccc2cccnc12,5.18,4.861889839172363,4.821480836236933,2949,1,0,1.0
OADMET-0006049,CC(Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCC(F)(F)F,4.85,4.532511234283447,4.682475247524752,2948,2,0,1.0
OADMET-0006048,CN(C)c1cccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c1,4.99,4.286538918813069,4.355306748466257,2947,3,0,1.0
OADMET-0006047,COc1ccc(CC(=O)NC(c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1,4.93,5.386015892028809,5.234230769230769,2946,4,0,1.0
OADMET-0006046,CNC(=O)c1ncoc1C1C2CC1N(C(=O)Cc1ccc(Cl)cc1Cl)C2,5.13,4.752169291178386,4.817948717948719,2945,0,0,1.0
OADMET-0006045,O=C(Cc1noc2ccccc12)NC1CCCN(Cc2ccc(F)cc2F)C1=O,5.42,5.064707279205322,4.9999852507374625,65,4,1,2.0
OADMET-0006044,C#CC(C)(C)N1CCN(S(=O)(=O)N2CC3CCC2C3)CC1,4.93,4.4448699951171875,4.5774358974358975,2944,1,0,1.0
OADMET-0006043,O=C1CCCN1CC(NCc1n[nH]c2ccccc12)c1ccccc1,4.72,5.102105935414632,4.9999852507374625,729,4,0,1.0
OADMET-0006042,COC1(C)CCCN(C(=O)c2ncccc2NCC2CCC2)CC1,5.24,6.103517214457194,5.726304347826088,2943,2,0,1.0
OADMET-0006041,COc1ccc2nc(C(=O)N(C)CCc3ccc(F)cc3)ccc2c1,5.09,4.8480180104573565,4.821480836236933,2942,3,0,1.0
OADMET-0006040,CCOC(=O)c1c(NC(=O)CN(C)Cc2ccon2)sc(C(N)=O)c1C,5.3,4.314821720123291,4.47620253164557,2941,3,0,1.0
OADMET-0006039,O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCCC(N2CCNC2=O)C1,4.18,3.8741710980733237,3.916360294117648,728,0,0,1.0
OADMET-0006038,O=C1c2ccccc2CN1CC(=O)N1CCCC1c1nc2ccccc2s1,4.94,5.106363137563069,4.9999852507374625,2940,0,0,1.0
OADMET-0006037,Cc1cccn2c(=O)cc(Cn3cc(C(O)c4ccccc4)nn3)nc12,4.74,4.818543593088786,4.821480836236933,741,1,0,1.0
OADMET-0006036,CC(C)Cn1cccc(-c2nc(-c3coc(C4CCC4)n3)no2)c1=O,5.2,4.825693289438884,4.821480836236933,766,1,0,1.0
OADMET-0006035,N#Cc1ccc(CCSc2ccc(C(=O)N3CCCC3)cn2)cc1,5.53,4.546395301818848,4.682475247524752,2939,1,0,1.0
OADMET-0006034,CC1(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)CCCCC1,4.93,5.161326090494792,4.9999852507374625,2938,2,0,1.0
OADMET-0006033,CC1c2c(F)cccc2CCN1C(=O)Nc1ccc(-n2cccn2)nc1,5.14,5.043541431427002,4.9999852507374625,2937,3,0,1.0
OADMET-0006032,CON(C)C(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1,4.76,4.440000851949056,4.543097826086957,2936,4,0,1.0
OADMET-0006031,CC(C)(C)OC(=O)NCc1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1,4.42,3.5288822650909424,3.5503846153846155,2935,0,0,1.0
OADMET-0006030,CC1(C)CN(c2cc(-c3ccccc3)nc3ncnn23)CC2(CCOC2)O1,5.06,4.478196144104004,4.59815,2934,1,0,1.0
OADMET-0006029,Cc1c(CNC(=O)C(c2ccccc2)N2CCC(O)CC2)oc2ccc(F)cc12,4.74,5.228936195373535,5.026367187500001,76,2,0,1.0
OADMET-0006028,Cc1cc(C(=O)NC2(c3ccccn3)CC2)nn1-c1cccc(Cl)c1,5.23,5.492833614349365,5.284131355932205,2933,2,0,1.0
OADMET-0006027,COCc1cc(Cn2cc(C34CC5CC(CC(C5)C3)C4)nn2)no1,5.23,5.174441337585449,4.9999852507374625,2932,3,0,1.0
OADMET-0006026,O=C(Nc1cc2n(n1)CCCC2)c1cccc(C2CCOC2)c1,4.64,4.977708498636882,4.988000000000001,2931,2,1,2.0
OADMET-0006025,Cc1conc1CS(=O)(=O)N(C)C(c1ccccc1)C(F)(F)F,5.22,5.035906473795573,4.9999852507374625,2930,3,0,1.0
OADMET-0006024,Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(OC(F)F)cc2)nn1,4.61,4.765954494476318,4.817948717948719,2929,4,0,1.0
OADMET-0006023,CCc1ccc(C2COCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)o1,4.98,5.10854975382487,4.9999852507374625,2928,2,0,1.0
OADMET-0006022,Cn1nccc1C12CCC(C1)C2C(=O)NCCCc1c[nH]nc1C(F)(F)F,4.97,4.16329558690389,4.355306748466257,2927,4,0,1.0
OADMET-0006021,Cc1cccc2cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)oc12,4.93,5.028212388356526,4.9999852507374625,108,0,0,1.0
OADMET-0006020,CC1(c2nc(-c3csc(C(F)(F)F)c3)no2)CCNC(=O)C1,5.07,4.058775345484416,4.092280701754386,2926,0,0,1.0
OADMET-0006019,O=C(NCCc1c[nH]c2cc(F)ccc12)C1COc2ccccc21,4.73,5.114505449930827,4.9999852507374625,2925,1,0,1.0
OADMET-0006018,Cc1ccc(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)nc1C,4.63,4.244576930999756,4.355306748466257,108,0,0,1.0
OADMET-0006017,COc1ccc2nc(CN3CCCC(N4CCCC4=O)CC3)sc2c1,5.16,4.003885825475057,4.043714285714285,2924,2,0,1.0
OADMET-0006016,CC(C)c1ncncc1C(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1,4.26,4.251983006795247,4.355306748466257,2923,3,0,1.0
OADMET-0006015,CCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cc(-c4ccco4)nn3C)cc(C3CC3)nc21,4.51,4.522687753041585,4.59815,731,3,0,1.0
OADMET-0006014,Cc1noc(C)c1-c1cn(C(C(=O)N(C)C)c2ccccc2)nn1,5.39,4.361624876658122,4.477399999999999,2922,4,1,2.0
OADMET-0006013,NS(=O)(=O)N1CCCN(c2nc(-c3ccncc3)nc3ccccc23)CC1,4.34,3.701141039530436,3.6602857142857137,136,3,1,2.0
OADMET-0006012,CCC(NC(CO)Cc1ccc(F)cc1)c1ccccc1F,4.93,5.232888698577881,5.026367187500001,2921,0,0,1.0
OADMET-0006011,c1ccc(-c2cc(NC3COC(C4CC4)C3)n3nccc3n2)cc1,5.11,5.130298932393392,4.9999852507374625,2920,1,0,1.0
OADMET-0006010,CCn1c(-c2cc(C)oc2C)nnc1N(C)CCCSC,5.28,4.74209197362264,4.817948717948719,2919,2,0,1.0
OADMET-0006009,COc1ccc2c(c1)CC(c1nnc(-c3ccccc3F)o1)CO2,4.11,4.51247771581014,4.59815,2918,3,0,1.0
OADMET-0006008,CCc1nocc1Cn1cc(-c2ccccc2OC)nn1,4.81,4.729409535725911,4.817948717948719,59,0,1,2.0
OADMET-0006007,O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NCCc1nc2ccccc2s1,4.99,3.606054941813151,3.571791044776119,2917,4,1,2.0
OADMET-0006006,CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CN1C(=O)CCOc2ccccc21,4.81,4.610596656799316,4.776467889908257,302,0,0,1.0
OADMET-0006005,CNC(=O)C(NC(=O)c1cc(C)ccc1O)c1ccccc1,4.4,4.460650285085042,4.5774358974358975,427,1,0,1.0
OADMET-0006004,O=C(C1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC2(CC1)OCCO2,4.69,4.896620273590088,4.834642319277108,2916,0,0,1.0
OADMET-0006003,CCCCC(=O)N1CSCC1C(=O)N1CCC[C@]1(C)C(=O)OC,4.38,4.824663321177165,4.821480836236933,2915,1,0,1.0
OADMET-0006002,Cc1ccccc1C(C)Cc1nc(-c2ncoc2C)no1,4.61,4.724370161692302,4.817948717948719,2914,2,0,1.0
OADMET-0006001,CC1(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCCN(C(=O)c2ccccc2)C1,5.16,4.793669064839681,4.821480836236933,2913,3,0,1.0
OADMET-0006000,O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C(O)C1CCCCC1,5.22,5.266888777414958,5.067031249999999,2912,4,1,2.0
OADMET-0005999,Cc1csc(C(O)(CC(=O)N2CCC(c3ccccc3C)CC2)C(F)(F)F)n1,4.98,4.973599751790364,4.988000000000001,2911,0,0,1.0
OADMET-0005998,CNC(=O)c1ccc(CN(C)C(=O)NC2CCCN(c3cccc(F)c3)C2)cc1,4.83,4.308924198150635,4.47620253164557,765,1,0,1.0
OADMET-0005997,CCN(Cc1ccc2c(c1)OCO2)C(=O)NCc1nnc2n1CCCCC2,5.11,4.100946267445882,4.164821428571428,2910,1,0,1.0
OADMET-0005996,CN(C)C(=O)C(Cc1ccccc1)NCc1cccc2[nH]ccc12,4.85,4.41068967183431,4.543097826086957,2909,2,0,1.0
OADMET-0005995,CC(C)(C)c1ccc(Cl)cc1NC(=O)c1ccn(C2CCOCC2)n1,5.1,5.195426781972249,5.026367187500001,2908,3,0,1.0
OADMET-0005994,C=C1CC(C)(C(=O)N[C@H]2CCCCC[C@H]2NC(=O)C2(C)CC(=C)C2)C1,5.16,5.6452741622924805,5.284131355932205,2907,1,0,1.0
OADMET-0005993,Cn1c(-c2nc(C3(c4ccc(F)cc4)CCC3)no2)cccc1=O,5.08,4.981903711954753,4.988000000000001,334,0,0,1.0
OADMET-0005992,COc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1C,4.56,4.597588698069255,4.776467889908257,2906,0,0,1.0
OADMET-0005991,COc1ccc2[nH]nc(NC(=O)C3(c4ccccc4)CCCO3)c2c1,4.65,5.280242760976155,5.067031249999999,333,1,0,1.0
OADMET-0005990,CC(=O)NCc1ccc(-c2csc(C3CCCN(C(C)=O)C3)n2)s1,4.84,4.151233673095703,4.355306748466257,188,0,0,1.0
OADMET-0005989,COc1ncccc1C(=O)NC1(c2ccccc2F)CC1,4.7,5.537062803904216,5.284131355932205,764,0,0,1.0
OADMET-0005988,CSc1cc2c(cc1NC(=O)N1CCCC3(CCOCC3)C1)OCCO2,4.52,4.530317147572835,4.619999999999999,140,0,0,1.0
OADMET-0005987,COC1CCCN(CC(=O)Nc2cccc(C(F)(F)F)c2)C1,4.83,4.909342924753825,4.860652173913044,306,3,1,2.0
OADMET-0005986,CCOc1c(Cl)cc(C(=O)NC(C)c2noc(-c3ccccc3)n2)cc1OC,4.63,4.7542673746744795,4.817948717948719,755,0,0,1.0
OADMET-0005985,C#Cc1ccnc(N(CC)C(=O)c2cccc(OCCOC)c2)c1,4.82,4.461795330047607,4.5774358974358975,763,2,0,1.0
OADMET-0005984,O=C(c1c[nH]c2ncc(Br)cc12)N1CCCC(n2ccnc2)C1,5.35,2.7290236949920654,2.795725806451613,2905,0,0,1.0
OADMET-0005983,CN(C)C(=O)C(OC(=O)c1c(F)cc(O)cc1F)c1ccccc1,4.56,4.759118398030599,4.817948717948719,2904,1,0,1.0
OADMET-0005982,CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1ccn(C)n1,4.42,4.466297149658203,4.5774358974358975,2903,2,0,1.0
OADMET-0005981,O=C(NCC1(c2ccccc2)CCCO1)c1ccc2[nH]cnc2c1,4.5,4.449573834737142,4.5774358974358975,70,0,1,2.0
OADMET-0005980,Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nccn(C)c3=O)c12,4.42,3.922697385152181,3.916360294117648,520,3,0,1.0
OADMET-0005979,Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cnn(C(C)C)c1,5.2,5.4786051114400225,5.284131355932205,285,4,0,1.0
OADMET-0005978,Cc1cc(C)c(C(=O)N(Cc2cnn(C)c2)CC(C)C)c(C)n1,4.26,4.387271881103516,4.477399999999999,362,4,0,1.0
OADMET-0005977,O=C(Nc1nc(C2CC2)cs1)c1cn(CCc2ccccc2)nn1,5.36,4.792875607808431,4.821480836236933,2902,3,0,1.0
OADMET-0005976,CC(C)(C)c1csc(C2CN(C(=O)c3cccc(C(=O)O)c3)CCO2)n1,5.0,3.8609044551849365,3.916360294117648,2901,4,1,2.0
OADMET-0005975,O=C(Nc1ccc(F)nc1)N1CCC(Cc2ccc(F)cc2)C1,4.71,3.8559622764587402,3.916360294117648,105,2,0,1.0
OADMET-0005974,COCCOc1cccc(C(=O)N(C)c2ccc(C(=O)OC)cc2)c1,4.06,4.384009679158528,4.477399999999999,763,2,0,1.0
OADMET-0005973,O=C(NCc1cccc(OC(F)(F)F)c1)NC1CC12CCOCC2,4.68,4.380651632944743,4.477399999999999,2900,0,0,1.0
OADMET-0005972,COc1ccc2c(ccn2CC(=O)NCC2(N3CCOCC3)CCCCC2)c1,5.11,4.505992730458577,4.59815,91,2,0,1.0
OADMET-0005971,COc1ccccc1Nc1ncccc1C(=O)NCC1(C(N)=O)CCOCC1,4.68,3.92130184173584,3.916360294117648,2899,1,0,1.0
OADMET-0005970,Cc1cnn(C2CCN(C(=O)NCC(C)c3ccc(F)cc3)C2)c1,4.46,4.8484212557474775,4.821480836236933,174,2,0,1.0
OADMET-0005969,Cc1oc2ccccc2c1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1,4.57,4.696171124776204,4.817948717948719,2898,2,0,1.0
OADMET-0005968,CCc1nn(C)cc1NC(=O)C1CCN(c2ccccc2Cl)C1,3.85,4.1444986661275225,4.311111111111112,97,0,0,1.0
OADMET-0005967,O=S1(=O)CCC2(CCCN(Cc3cnc(-c4ccccc4)o3)C2)C1,5.2,4.394165992736816,4.543097826086957,136,3,0,1.0
OADMET-0005966,CC(Nc1cccc(NC(=O)CO)c1)c1nc(-c2ccccc2)no1,4.34,5.163278579711914,4.9999852507374625,762,4,0,1.0
OADMET-0005965,Cn1nnc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1,5.07,4.511109987894694,4.59815,2897,3,0,1.0
OADMET-0005964,CC(c1nnnn1C)N1CCOC(c2ccc(Cl)c(Cl)c2)C1,5.22,4.43045171101888,4.543097826086957,2896,4,0,1.0
OADMET-0005963,COc1ncc(C(=O)N2CCC2c2cccc(F)c2)cc1Cl,5.0,5.442128658294678,5.262840909090909,170,1,0,1.0
OADMET-0005962,Brc1ccc(C2(CNC(c3cccnc3)c3ncc[nH]3)CCOCC2)cc1,4.51,4.1511162122090655,4.355306748466257,2895,0,0,1.0
OADMET-0005961,COC(=O)c1cnc(NC2CCCCCN(C(=O)C3CCC3(F)F)C2)nc1,4.61,3.894193251927694,3.916360294117648,2894,1,0,1.0
OADMET-0005960,Cc1ccnc2nc(C(=O)N(Cc3ccco3)C3CCCC3)nn12,4.42,4.951386610666911,4.988000000000001,2893,2,0,1.0
OADMET-0005959,Cc1c(C(=O)N2CCCCC2CNC(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1,4.53,4.435026327768962,4.543097826086957,2892,3,0,1.0
OADMET-0005958,Cc1cc(NC(=O)C2(C)CCCO2)n(-c2cccc(Br)c2)n1,5.09,5.518865903218587,5.284131355932205,2891,4,0,1.0
OADMET-0005957,O=C(CCc1ccccc1)N1CCCN(C(=O)C2COc3ccccc32)CC1,5.31,5.480362256368001,5.284131355932205,2890,0,1,2.0
OADMET-0005956,COc1cc(C)ccc1NC(=O)c1cccc(-c2ncn[nH]2)c1,4.45,4.5869377454121905,4.682475247524752,23,3,0,1.0
OADMET-0005955,CC(C(=O)Nc1nccs1)N1CCCN(C(=O)c2ccccc2)CC1,4.87,4.399820327758789,4.543097826086957,2889,1,0,1.0
OADMET-0005954,COc1cccc(C2CN(C(=O)CNC(=O)c3ccc(C)c(C)c3)CCO2)c1,4.91,4.723273277282715,4.817948717948719,102,2,0,1.0
OADMET-0005953,COCCOC1CC(CO)CN(S(=O)(=O)c2cc(F)ccc2C)C1,5.52,4.807215849558513,4.821480836236933,671,0,1,2.0
OADMET-0005952,O=C(Nc1ccc(C2CC2)nn1)NC1(c2cccc(OC(F)(F)F)c2)CC1,5.03,5.361583709716797,5.2117424242424235,2888,2,0,1.0
OADMET-0005951,CCOC1CC(NC(=O)c2ccnc(-n3cccn3)c2)C12CCCC2,4.8,4.979559739430745,4.988000000000001,2887,3,0,1.0
OADMET-0005950,COCCNc1ccc(CNC(=O)N2CCCC3(CCCC3)CC2)cc1,4.83,4.8423237800598145,4.821480836236933,2886,4,0,1.0
OADMET-0005949,Cn1cccc1C1CCCCN1C(=O)CCN1C(=O)COc2ccccc21,5.28,5.330936749776204,5.16875,40,1,0,1.0
OADMET-0005948,COc1ccc(C)cc1S(=O)(=O)N1CC(O)CC1c1ccc(F)cc1,5.04,5.6853335698445635,5.284131355932205,679,4,0,1.0
OADMET-0005947,c1cnc2c(c1)CCC[C@H]2n1cc(COC2CCCCO2)nn1,5.18,4.843636512756348,4.821480836236933,761,3,0,1.0
OADMET-0005946,Fc1cccc(Cl)c1CCc1noc(C2(n3cccn3)CC2)n1,5.06,5.58997376759847,5.284131355932205,2885,4,0,1.0
OADMET-0005945,CCOc1ccccc1C(F)(F)C(=O)N1CCC(NC(=O)C2CC2)CC1,5.26,4.833844025929769,4.821480836236933,2884,1,1,2.0
OADMET-0005944,O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc2c(c1)OCCO2,5.24,4.65341059366862,4.817948717948719,2883,1,0,1.0
OADMET-0005943,Cc1c(C(=O)N2CCCN3c4ccccc4CC3C2)c(O)nc2ccccc12,5.0,5.750448067982991,5.284131355932205,2882,0,0,1.0
OADMET-0005942,CC1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1C(=O)O,4.41,4.585923512776692,4.682475247524752,169,0,0,1.0
OADMET-0005941,Cn1nc(CNC[C@@H](O)c2ccc(Cl)cc2)c2ccccc21,5.07,4.913373629252116,4.860652173913044,525,2,0,1.0
OADMET-0005940,CC(C)c1nc(C(=O)N2CCC=C(F)C2)nn1-c1ccccc1F,5.22,4.886069933573405,4.821480836236933,754,1,0,1.0
OADMET-0005939,Cn1ncc(NC(=O)N2CCCC(C)(F)C2)c1-c1ccccc1,4.44,5.549325307210286,5.284131355932205,2881,0,0,1.0
OADMET-0005938,O=C(NCC1CCOc2ccccc21)N1CCOC(c2ccccc2F)C1,4.82,5.22032356262207,5.026367187500001,290,2,0,1.0
OADMET-0005937,COC1CCCN(C(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)CC1,4.89,4.793357054392497,4.821480836236933,760,2,1,2.0
OADMET-0005936,COc1cc(C#N)ccc1OCC(=O)N1CCCC1C1CCCC1O,4.97,5.106136798858643,4.9999852507374625,2880,1,0,1.0
OADMET-0005935,CC(c1cc2ccccc2o1)N(C)C(=O)c1cn(C)nc1C(C)(C)C,4.49,5.27460241317749,5.067031249999999,2879,2,0,1.0
OADMET-0005934,CN(Cc1ccoc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,5.25,5.0969211260477705,4.9999852507374625,2878,3,0,1.0
OADMET-0005933,CC(NC(=O)N1CCC(C)C1CO)c1ccc(F)cc1Cl,5.18,5.682670593261719,5.284131355932205,2877,4,0,1.0
OADMET-0005932,O=C(NCC(Cc1ccccc1)Cc1ccccc1)N1CCC(O)C(F)(F)C1,4.94,4.538994312286377,4.682475247524752,756,4,0,1.0
OADMET-0005931,Cc1ccccc1C1(C(=O)N2CCCC(O)(c3c[nH]nn3)C2)CCCC1,5.21,5.058578809102376,4.9999852507374625,2876,0,0,1.0
OADMET-0005930,Cc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)nn1-c1ccc(Cl)cc1Cl,5.19,5.3696262041727705,5.2117424242424235,2875,1,0,1.0
OADMET-0005929,O=C(Nc1ccnc(Oc2ccc(F)cc2F)c1)N1CCC2CCCC21,5.38,5.158138910929362,4.9999852507374625,2874,2,1,2.0
OADMET-0005928,CC(O)C(C)(CNC(=O)C1CCCN1C)Cc1ccccc1,4.44,5.035253683725993,4.9999852507374625,2873,3,0,1.0
OADMET-0005927,COc1ccc(CCCNC(=O)N2C(C)CCC2C)cc1OC,4.63,5.231033643086751,5.026367187500001,26,0,1,2.0
OADMET-0005926,Cn1nnc2cc(C(=O)N(CC3CCCCC3)c3ccccn3)cnc21,5.25,5.161865711212158,4.9999852507374625,723,2,0,1.0
OADMET-0005925,Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCN(C(=O)C2CC2)CC1,4.02,5.116574128468831,4.9999852507374625,62,4,1,2.0
OADMET-0005924,COc1cc(C(=O)N(Cc2ccccc2)C2CC(C)(C)OC2(C)C)on1,4.48,4.78554630279541,4.821480836236933,759,3,0,1.0
OADMET-0005923,COc1cccc(CNC(=O)c2cccn(Cc3ccccc3)c2=O)n1,5.53,4.694418430328369,4.817948717948719,2872,4,0,1.0
OADMET-0005922,CCc1cc(NC(=O)c2coc3ccc(OC)cc23)n(C)n1,4.26,4.005846897761027,4.043714285714285,2871,0,0,1.0
OADMET-0005921,CC(O)(Cn1ccccc1=O)C(=O)N1CCc2ccc(Cl)cc2C1,4.6,4.6089857419331866,4.776467889908257,2870,1,0,1.0
OADMET-0005920,COC(C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CC1,5.41,4.786156336466472,4.821480836236933,2869,2,0,1.0
OADMET-0005919,Cc1sc2ncn(NC(=O)COc3ccc(C(N)=O)cc3)c(=O)c2c1-c1ccccc1,4.54,4.4756490389506025,4.59815,2868,3,0,1.0
OADMET-0005918,Cc1cccc(NC(=O)C2CCCN(c3nc4ccccc4s3)C2)n1,4.77,5.077467441558838,4.9999852507374625,401,0,0,1.0
OADMET-0005917,Cc1cccc(C(=O)N2CCCN(C(=O)c3nn(C)c(C)c3Cl)CC2)c1,4.67,4.9611310958862305,4.988000000000001,2867,4,0,1.0
OADMET-0005916,CC(C)Cn1cnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1,4.64,5.2701191902160645,5.067031249999999,561,3,0,1.0
OADMET-0005915,COC1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)C(C)C1,4.67,5.233163197835286,5.026367187500001,2866,0,0,1.0
OADMET-0005914,Cc1c(N2CCC(C3CC3)C2)ncnc1N1CCC(C2CC2)C1,3.92,5.319301287333171,5.067031249999999,2865,1,0,1.0
OADMET-0005913,Cc1cccc(C2CCCN2C(=O)NCc2ccsc2)n1,4.48,4.905519326527913,4.834642319277108,148,2,1,2.0
OADMET-0005912,CS(=O)(=O)c1cccc(NC(=O)NCC2CCN(c3ccc(F)cc3)C2)c1,5.1,4.964104811350505,4.988000000000001,2864,2,0,1.0
OADMET-0005911,O=S(=O)(NC1CC(O)C12CCC2)c1ccc2c(c1)CCCC2,5.23,5.235682487487793,5.026367187500001,2863,3,0,1.0
OADMET-0005910,O=C(Cc1ccccc1)NCCC(=O)N1CCCC1CC(O)c1ccccc1,4.57,5.0170284907023115,4.998154761904762,173,4,0,1.0
OADMET-0005909,COC(=O)C1CCn2c(CCCOc3ccc(Cl)cc3C)nnc2C1,4.77,4.312690416971843,4.47620253164557,2862,4,0,1.0
OADMET-0005908,Cc1ccc2oc(C(=O)N(C)C3CCCCC3S(C)(=O)=O)cc2n1,4.87,4.394164562225342,4.543097826086957,2861,3,0,1.0
OADMET-0005907,CC(C)Oc1cncc(C(=O)N2CC(C)OCC2c2ccccc2)c1,4.83,4.980797131856282,4.988000000000001,2860,2,0,1.0
OADMET-0005906,COc1ccc(Cl)c(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1,4.89,5.129719893137614,4.9999852507374625,2859,1,0,1.0
OADMET-0005905,Cc1noc(C)c1CC(=O)N(Cc1ccccc1)C1CC(C)(C)OC1(C)C,4.67,4.768237590789795,4.821480836236933,759,3,0,1.0
OADMET-0005904,CN1CCN(C(=O)CCc2nc3ccccc3o2)C(c2ccccc2)C1,4.39,4.362760702768962,4.477399999999999,758,1,0,1.0
OADMET-0005903,COc1ccc2c(c1)N(C(=O)c1ccnc(C3CC3)c1)CCO2,4.38,4.777053356170654,4.821480836236933,2858,1,0,1.0
OADMET-0005902,CC(=O)Nc1cccc(OCCNC2[C@H]3CCC[C@H]3C2(C)C)c1,4.73,5.0729630788167315,4.9999852507374625,751,3,0,1.0
OADMET-0005901,CC(C)n1ccc(CN2CCCNC(=O)C2Cc2ccccc2)n1,4.26,4.812451362609863,4.821480836236933,101,1,0,1.0
OADMET-0005900,COc1cccc2c(N3CCOC(CN(C)C)C3)nccc12,4.45,3.989298105239868,4.031000000000001,2857,2,0,1.0
OADMET-0005899,O=C(NCc1cccc(N2CCOCC2)n1)c1csc2c1CCCC2,4.59,5.315772692362468,5.067031249999999,702,1,0,1.0
OADMET-0005898,CC(C)Cn1cc(NC(=O)N2CC[C@H](Oc3ccccc3)C2)cn1,4.15,4.630853811899821,4.776467889908257,258,3,0,1.0
OADMET-0005897,CC1Oc2ccccc2OC1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1,4.75,4.962042649586995,4.988000000000001,332,2,1,2.0
OADMET-0005896,Cc1cccc(C2CCCN2C(=O)CCc2cnn(C)c2)c1C,4.86,5.069472789764404,4.9999852507374625,209,4,0,1.0
OADMET-0005895,CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[nH]c(C(=O)N3CCCC3)c1)CCC2,5.25,5.599685351053874,5.284131355932205,2856,3,0,1.0
OADMET-0005894,CC(NC(=O)c1ccco1)C(=O)N1CCC(Cc2ccc(F)cc2)C1,4.71,3.90617036819458,3.916360294117648,105,2,1,2.0
OADMET-0005893,Cc1oc(C#N)cc1C(=O)N1CCN(CC(F)(F)F)CC(C)C1,5.01,4.9607194264729815,4.988000000000001,2855,4,0,1.0
OADMET-0005892,CC(C)N(C(=O)c1ccnn1C(C)C)c1ccc(Br)cn1,5.1,4.978140989939372,4.988000000000001,2854,0,0,1.0
OADMET-0005891,CN(C(=O)c1noc2c1CCCCC2)c1ccc(-c2ccccc2)nn1,5.11,5.347195307413737,5.2117424242424235,2853,1,0,1.0
OADMET-0005890,COc1ccc(NC(=O)C2CCCN2C(=O)CCc2ccco2)cc1,4.09,3.902512550354004,3.916360294117648,580,0,0,1.0
OADMET-0005889,Cn1cnc2c(c1=O)CCN(C(=O)NC1CCCc3c(F)cc(Cl)cc31)C2,4.76,5.024656613667806,4.9999852507374625,2852,2,0,1.0
OADMET-0005888,CC1(C)CC(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c2ccc(F)cc2O1,4.98,5.093587716420491,4.9999852507374625,74,3,1,2.0
OADMET-0005887,CCC(CC)n1nc(C)cc1-c1nc(C(C)(C)NC(C)=O)no1,5.02,5.143391927083333,4.9999852507374625,690,4,0,1.0
OADMET-0005886,O=C(Cn1nnc(C2CC2)n1)N1CCCc2ccccc21,4.58,5.5427470207214355,5.284131355932205,603,2,0,1.0
OADMET-0005885,COc1ccc(Cl)cc1N1CCC(NC(=O)NCC2C(C)(C)C2(F)F)C1,5.17,4.439094225565593,4.543097826086957,738,3,0,1.0
OADMET-0005884,CC1C(c2ccccc2)CCN1C(=O)Nc1cn(C)nc1C1CCCCC1,5.04,5.390024344126384,5.234230769230769,172,0,1,2.0
OADMET-0005883,Cc1cc(C(F)(F)F)nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1,4.56,4.073933442433675,4.092280701754386,2851,3,0,1.0
OADMET-0005882,N#Cc1ccc(OCc2noc(C3CCCCC3)n2)c(Cl)c1,4.07,4.738151550292969,4.817948717948719,2850,4,0,1.0
OADMET-0005881,CCOc1ccc(CNC(=O)N2CCOC[C@@H]2CC(C)C)cc1F,4.68,4.728711764017741,4.817948717948719,2849,0,1,2.0
OADMET-0005880,O=C(NC1CCOC(c2cccnc2)C1)N1CCCc2ccccc2CC1,5.19,4.6983011563618975,4.817948717948719,326,4,0,1.0
OADMET-0005879,Cc1cc(-c2noc(-c3noc4c3CCCC4)n2)c(C)o1,4.22,4.9273834228515625,4.888,2848,0,0,1.0
OADMET-0005878,Cc1nc(C2CN(C(=O)C3(c4ccccc4F)CCCC3)CCO2)no1,4.99,5.076924165089925,4.9999852507374625,718,3,0,1.0
OADMET-0005877,CCOC1(C)CCN(C(=O)N(C)Cc2ccccc2)CC1,4.44,5.517090479532878,5.284131355932205,684,2,0,1.0
OADMET-0005876,CCC(C)S(=O)(=O)NC(=O)c1csc(C2CCCCC2)n1,4.72,4.552009264628093,4.682475247524752,2847,2,0,1.0
OADMET-0005875,O=C(Cc1ccccc1O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1,4.95,4.661020119984944,4.817948717948719,104,1,1,2.0
OADMET-0005874,CS(=O)(=O)CC1CCCCN1C(=O)c1csc2c1CCCC2,5.65,5.486232757568359,5.284131355932205,2846,3,0,1.0
OADMET-0005873,CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)C2SCCc3ccccc32)C1,4.38,3.5846091906229653,3.571791044776119,250,0,0,1.0
OADMET-0005872,CC(Oc1ccc(F)cc1)c1nnc2n1CC(C)(C)CC2,5.48,5.307387193044026,5.067031249999999,735,0,0,1.0
OADMET-0005871,CC(C)(C)c1nc(CC(=O)NC2c3ccccc3CC2O)cs1,5.37,5.754385630289714,5.284131355932205,41,4,0,1.0
OADMET-0005870,O=C(CC(=O)N1CCCC1CCc1ccccc1)NCC(F)(F)F,4.88,5.106767972310384,4.9999852507374625,173,4,0,1.0
OADMET-0005869,Cn1nnc(CNC(=O)N2Cc3ccccc3CC2c2ccccc2)n1,4.47,4.763775984446208,4.817948717948719,2845,4,0,1.0
OADMET-0005868,COc1ccc(CNC(=O)C2CCCN2C(=O)c2ccccc2O)cc1Cl,4.43,4.257831891377767,4.355306748466257,167,2,0,1.0
OADMET-0005867,CN(C)c1ccc(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)cc1,4.47,4.1652960777282715,4.355306748466257,2844,0,0,1.0
OADMET-0005866,O=C(Cc1cccc(C(F)(F)F)n1)Nc1cncc2c1CCCC2,4.48,4.880610942840576,4.821480836236933,2843,1,0,1.0
OADMET-0005865,COC(Cc1ccccc1)CS(=O)(=O)N1CC(C)CC1c1cccnc1,5.2,5.069387912750244,4.9999852507374625,2842,2,0,1.0
OADMET-0005864,Cc1noc(Cl)c1CCC(=O)N1CCCCC1CC(C)O,4.77,5.182961781819661,5.026367187500001,2841,3,0,1.0
OADMET-0005863,CCc1nc(N2CCN(c3ccccn3)CC2)sc1C(=O)OC,4.69,4.462780634562175,4.5774358974358975,2840,4,0,1.0
OADMET-0005862,CC1(c2ccccc2C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1,4.89,4.562407493591309,4.682475247524752,2839,0,0,1.0
OADMET-0005861,CNC(=O)C1CN(C(=O)C2CCc3cc(C)ccc3O2)c2ccccc2O1,4.63,4.413709799448649,4.543097826086957,426,2,0,1.0
OADMET-0005860,CC(c1ccsc1)N1CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)CC1,4.36,4.436085859934489,4.543097826086957,2838,4,0,1.0
OADMET-0005859,O=C(c1cccc(NCc2cc(O)cc(Cl)c2)c1)N1CCOCC1,4.4,4.267052968343099,4.355306748466257,2837,0,0,1.0
OADMET-0005858,Cn1cc(C(NC(=O)c2cccc3c2OCC3)C(C)(C)C)cn1,5.29,5.610973834991455,5.284131355932205,158,4,0,1.0
OADMET-0005857,Cc1nc(C2CCCN2CC(=O)N2CCCCC2C)cs1,5.06,5.632258892059326,5.284131355932205,283,0,0,1.0
OADMET-0005856,COc1ccc2c(c1)C1(CC1)CN(C(=O)Cn1ncc3ccccc3c1=O)C2,5.04,5.169695854187012,4.9999852507374625,740,2,0,1.0
OADMET-0005855,Cc1cccc2c(CC(=O)N3Cc4ccccc4C[C@H]3C(N)=O)c[nH]c12,4.48,4.2063517570495605,4.355306748466257,259,3,0,1.0
OADMET-0005854,CCOC1CC(O)(CNC(=O)c2ccc(C)c(OC)c2)C1(C)C,3.96,4.723804155985515,4.817948717948719,331,1,0,1.0
OADMET-0005853,O=C(NCc1nc(=O)o[nH]1)c1ccc(N2CCCCCC2)cc1,4.06,3.3184758027394614,3.101637931034483,2836,1,0,1.0
OADMET-0005852,COC(=O)C1(N(C)S(=O)(=O)c2cccc(Cl)c2)CC(OC)C1,4.73,4.723277409871419,4.817948717948719,2835,4,0,1.0
OADMET-0005851,CCc1c(NC(=O)c2cocn2)cnn1-c1ccccc1Cl,4.34,4.575672308603923,4.682475247524752,2834,1,0,1.0
OADMET-0005850,CO[C@@H]1CCOC[C@H]1NC(=O)NCC1(c2ccc(F)cc2)CCC1,4.07,4.719523270924886,4.817948717948719,2833,2,1,2.0
OADMET-0005849,Cc1ccc(C(=O)NC2(c3ccccc3F)COC2)cn1,4.42,4.085721015930176,4.092280701754386,253,4,1,2.0
OADMET-0005848,CSC(CO)C(C)NCC(O)Cn1c(-c2ccccc2)noc1=O,4.41,4.100638469060262,4.164821428571428,2832,3,0,1.0
OADMET-0005847,O=C(c1cnn(-c2ccccc2)c1)N1CCC(Oc2ccccn2)C1,5.21,4.580064137776692,4.682475247524752,143,4,0,1.0
OADMET-0005846,C[C@@H](NC(=O)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1,4.61,5.4458543459574384,5.262840909090909,249,1,0,1.0
OADMET-0005845,CN1CCN(C(=O)c2ccc(S(C)(=O)=O)nc2)c2cc(F)ccc21,4.84,4.813737551371257,4.821480836236933,98,1,1,2.0
OADMET-0005844,C[C@H](NC(=O)NC[C@H]1C[C@@H]1c1ccccc1)c1cncc(F)c1,4.25,4.847815195719401,4.821480836236933,2831,4,1,2.0
OADMET-0005843,O=C(c1ccc(-c2ccccc2)[nH]1)N(CC(F)F)CC(F)F,4.74,5.226946830749512,5.026367187500001,2830,0,0,1.0
OADMET-0005842,COc1cnc(NC(=O)N2CCCS(=O)(=O)CC2C2CC2)s1,5.12,4.637530008951823,4.776467889908257,2829,1,0,1.0
OADMET-0005841,COc1cc(F)c(C(=O)NCc2nnc(C(C)(C)C)s2)c(F)c1,4.87,5.034971714019775,4.9999852507374625,2828,2,0,1.0
OADMET-0005840,CC(C)(C)OC(=O)N1C2CCC1CC(CNc1ccc(C#N)nn1)C2,4.81,5.5491868654886884,5.284131355932205,688,1,0,1.0
OADMET-0005839,CC(=O)NC(Cc1nc(-c2ccc(F)c(F)c2)no1)c1c(F)cccc1F,5.06,5.0474748611450195,4.9999852507374625,2827,3,0,1.0
OADMET-0005838,O=C(CN1CCN(C2CC2)C1=O)NC(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1,5.23,5.122256914774577,4.9999852507374625,2826,4,0,1.0
OADMET-0005837,C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1cccc(O)c1,4.5,5.070139090220134,4.9999852507374625,248,2,1,2.0
OADMET-0005836,Cc1nnc(N(C)C(=O)c2c(Cl)cccc2OCC2CC2)s1,4.83,5.123182773590088,4.9999852507374625,330,2,0,1.0
OADMET-0005835,O=C(NCc1cn2cc(Cl)cc(Cl)c2n1)c1cccc2nn[nH]c12,3.63,4.879688421885173,4.821480836236933,734,1,0,1.0
OADMET-0005834,COC1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(C2CC2)C1,4.52,4.844375292460124,4.821480836236933,2825,0,0,1.0
OADMET-0005833,O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1Cc1ccccc1,4.66,4.653193473815918,4.817948717948719,2824,1,0,1.0
OADMET-0005832,O=C(c1cccc2oc(=O)[nH]c12)N1CCN(C2CC2)c2ccccc21,5.07,5.407537460327148,5.2508333333333335,20,2,0,1.0
OADMET-0005831,O=C(NCCCC(=O)N1CCc2ccccc21)c1cc(F)cc2[nH]nnc12,3.9,4.672540823618571,4.817948717948719,2823,2,0,1.0
OADMET-0005830,COC1(c2noc(CCc3ccccc3C)n2)CCOCC1,3.93,4.535031954447429,4.682475247524752,2822,3,0,1.0
OADMET-0005829,CC1(C)CCCN1C(=O)Cn1cc(-c2ccc(Cl)s2)nn1,5.38,5.815532525380452,5.529772727272728,2821,4,0,1.0
OADMET-0005828,CC(NC(=O)N(C)Cc1ccon1)c1cc(F)ccc1N(C)C,4.67,5.031273523966472,4.9999852507374625,601,3,0,1.0
OADMET-0005827,O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)C(=O)NCC2,4.69,4.069969495137532,4.092280701754386,2820,0,0,1.0
OADMET-0005826,OC1(C(F)(F)F)CCN(c2cc(N3CCCCC3)ncn2)C1,5.19,3.823797623316447,3.916360294117648,329,3,0,1.0
OADMET-0005825,CC(NC(=O)N1CCOCC1C1CCCO1)c1cccc(F)c1F,4.41,5.370508035024007,5.2117424242424235,2819,1,1,2.0
OADMET-0005824,Cc1c(C(=O)NCc2cccc3c2OCC3)nnn1-c1ccn(C)n1,4.44,5.018524646759033,4.998154761904762,757,0,0,1.0
OADMET-0005823,CC(C)c1cc(C(=O)NC(C)c2nnnn2-c2ccccc2)c2cnn(C(C)C)c2n1,5.63,5.553842862447103,5.284131355932205,2818,2,0,1.0
OADMET-0005822,CC(C)(C)OC(=O)NC1(CCNC2C(=O)NCC2(C)C)CCC1,4.65,5.147110939025879,4.9999852507374625,2817,3,0,1.0
OADMET-0005821,Cc1nn(CC(F)F)cc1-c1nc(C2CCc3ccccc32)no1,5.23,4.815803527832031,4.821480836236933,2816,4,0,1.0
OADMET-0005820,Cn1ccc(-c2cn(CC(O)c3ccc(Cl)cc3Cl)nn2)n1,4.47,4.34884516398112,4.47620253164557,2815,0,0,1.0
OADMET-0005819,Cc1ccc(-c2noc(C3(C)CCC(=O)NC3)n2)cc1Cl,4.99,4.323993523915608,4.47620253164557,705,0,1,2.0
OADMET-0005818,CCCN(C(=O)c1cc(C)cc(O)n1)C1CCc2ccccc2C1,4.92,5.225809256235759,5.026367187500001,2814,3,0,1.0
OADMET-0005817,O=C1CS(=O)(=O)c2cc(NC(=O)c3ccsc3Br)ccc2N1,4.66,3.786449352900187,3.8408219178082192,2813,2,0,1.0
OADMET-0005816,O=C(CC1CCCN1)Nc1ccccc1-c1nc2ccccc2[nH]1,4.4,4.276918729146321,4.355306748466257,2812,2,1,2.0
OADMET-0005815,O=C(C(c1ccccc1)n1cc(-c2cncnc2)nn1)N1CCCCC1,4.9,4.703452746073405,4.817948717948719,2811,3,0,1.0
OADMET-0005814,O=S1(=O)CCCC1c1nc(C2(c3ccc(F)cc3)CCC2)no1,4.58,5.155196189880371,4.9999852507374625,334,0,0,1.0
OADMET-0005813,Cc1ccc(C2(c3noc(Cn4cc(C)cn4)n3)CCOCC2)cc1,4.13,4.540849049886067,4.682475247524752,328,2,0,1.0
OADMET-0005812,CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1CC12CCCC2,4.69,4.828192075093587,4.821480836236933,291,4,1,2.0
OADMET-0005811,CCC1(c2ccc(Cl)cc2)NC(=O)N(c2cncc(Br)c2C)C1=O,5.22,5.463471094767253,5.269615384615386,2810,4,0,1.0
OADMET-0005810,CO[C@H]1C[C@H](c2nnc(C)o2)N(CC2CCc3ccccc3C2)C1,4.75,3.767988999684652,3.8408219178082192,327,0,0,1.0
OADMET-0005809,CN1CCC(OCc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)nc3)no2)CC1,5.62,3.7617900371551514,3.8408219178082192,2809,0,0,1.0
OADMET-0005808,Cc1cn(C2CCCCC2)nc1NC(=O)NCc1ccccc1CC(F)(F)F,5.32,5.335085550944011,5.2117424242424235,699,3,1,2.0
OADMET-0005807,CC(=O)N1CCCCCC1C1CCN(C(=O)c2cccc(-n3cncn3)c2)CC1,5.56,4.0964248975118,4.164821428571428,745,0,1,2.0
OADMET-0005806,CC1(C)CCOC1CS(=O)(=O)N1CCCC(c2ccn[nH]2)C1,5.22,5.206894397735596,5.026367187500001,2808,1,0,1.0
OADMET-0005805,CC(=O)Nc1nc(C(=O)N2CC(C)(C)c3ccc(F)cc32)cs1,4.91,5.7765153249104815,5.284131355932205,2807,2,0,1.0
OADMET-0005804,CC(C)C(CNC(=O)N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccccc1,5.57,4.941534678141276,4.988000000000001,756,4,0,1.0
OADMET-0005803,CCC(c1ccccc1)c1nnc(NC(=O)N2CCc3ncncc3C2)s1,5.15,3.759533087412516,3.8408219178082192,275,0,0,1.0
OADMET-0005802,CCn1c(C2CCCN2C(=O)c2cnn(C(C)C)c2)nc2ccccc21,4.53,5.3453874588012695,5.2117424242424235,585,3,0,1.0
OADMET-0005801,O=C(N1CC(S(=O)(=O)NC2CCCC2)C1)C1(C(F)(F)F)CCOCC1,4.5,3.998403628667196,4.031000000000001,2806,3,0,1.0
OADMET-0005800,O=S(=O)(N1CCc2ccccc2C1)N(Cc1cccc(O)c1)CC1CC1,5.05,5.415671030680339,5.262777777777777,602,0,1,2.0
OADMET-0005799,COc1ccc(CC(=O)NCC2CCC3(CCOCC3)CO2)c(C)c1,3.56,4.5656154950459795,4.682475247524752,2805,4,0,1.0
OADMET-0005798,Cc1c(NC(=O)CC(C2CCC2)C2CCC2)ccc(F)c1N1C(=O)CNC1=O,4.82,4.684079488118489,4.817948717948719,2804,0,0,1.0
OADMET-0005797,CC(NC(=O)c1nc2cccnc2s1)(C1CC1)C(F)(F)F,4.85,4.3670760790507,4.477399999999999,692,2,0,1.0
OADMET-0005796,CN(c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)S(C)(=O)=O,4.63,4.419711112976074,4.543097826086957,2803,1,1,2.0
OADMET-0005795,CC(C)c1ocnc1C(=O)N(C)CCN(C)C(=O)C1CCC(C(F)(F)F)C1,4.68,5.050861994425456,4.9999852507374625,2802,2,0,1.0
OADMET-0005794,CCN(c1cccnc1)S(=O)(=O)c1cccc(OC)c1OC,4.71,5.264740784962972,5.067031249999999,2801,3,0,1.0
OADMET-0005793,NC(=O)CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(O)c2)CCCCC1,4.25,5.151082992553711,4.9999852507374625,2800,4,0,1.0
OADMET-0005792,CC1CN(CC(C)(C)O)CCN1C(=O)NCCCc1ccc(Cl)cc1,4.58,3.38226850827535,3.4971951219512194,2799,0,0,1.0
OADMET-0005791,Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCOCC12CCOC2,4.63,5.196045716603597,5.026367187500001,2798,1,0,1.0
OADMET-0005790,COc1cc(C(=O)N[C@H](C)c2oc3ccccc3c2C)cc(Cl)c1O,4.57,4.6934733390808105,4.817948717948719,755,0,0,1.0
OADMET-0005789,COC1CCC(CC(=O)N(C)CC(C)(O)c2ccccc2)CC1,4.36,4.85382095972697,4.821480836236933,2797,2,0,1.0
OADMET-0005788,O=C(c1ccc(Oc2cccc(Cl)c2Cl)nn1)N1CC(O)(C2CC2)C1,6.23,4.179360866546631,4.355306748466257,2796,3,0,1.0
OADMET-0005787,O=C(Cn1nnnc1-c1ccccc1)N[C@]1(c2ccccc2)C[C@H](O)C1,4.67,4.464725017547607,4.5774358974358975,2795,4,0,1.0
OADMET-0005786,CC(CNS(=O)(=O)c1cnn(-c2ccccc2)c1)N1CCCCC1=O,5.05,5.852856953938802,5.529772727272728,752,2,0,1.0
OADMET-0005785,CC(NC(=O)N1CCC[C@H]1CN1CCOCC1)c1nc(Cc2ccccc2)no1,4.57,4.520614782969157,4.59815,103,3,0,1.0
OADMET-0005784,O=C(Nc1cccnc1N1CCOCC1)N1CCCc2ccccc2CC1,4.84,4.946722825368245,4.988000000000001,326,4,0,1.0
OADMET-0005783,CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cnn(-c2ccccc2)n1,5.22,4.65697717666626,4.817948717948719,2794,0,0,1.0
OADMET-0005782,Cn1ncc(C(=O)Nc2cccc3cc[nH]c23)c1-n1cccc1,4.83,4.96630875269572,4.988000000000001,2793,1,0,1.0
OADMET-0005781,CC1CN(CC(=O)N(CC(F)(F)F)C(C)C)c2ccccc2NC1=O,4.85,5.283634662628174,5.067031249999999,2792,3,0,1.0
OADMET-0005780,CN(Cc1nc(-c2c(F)cccc2F)cs1)CC1(O)CCC1,4.03,4.638670762379964,4.776467889908257,2791,2,0,1.0
OADMET-0005779,COc1ncc(Br)cc1S(=O)(=O)N1CCC(Oc2ccccn2)C1,5.11,5.202292760213216,5.026367187500001,2790,4,0,1.0
OADMET-0005778,CC(C)c1ccc(-n2cc(O)c(C(=O)N3CCC=C(F)C3)n2)cc1,4.53,4.960317929585774,4.988000000000001,754,1,0,1.0
OADMET-0005777,CCOc1ccccc1CN(C)S(=O)(=O)CC1CCCO1,4.72,5.030843416849772,4.9999852507374625,2789,3,0,1.0
OADMET-0005776,CC1(NC(=O)[C@@H]2CCCO2)CCN(C(=O)c2cc(F)cc3cc[nH]c23)C1,4.99,4.856125036875407,4.821480836236933,2788,4,0,1.0
OADMET-0005775,O=C(OCc1ccccc1)N1CCN(C(=O)c2cncc3nc(C(F)(F)F)[nH]c23)CC1,4.78,3.5901316006978354,3.571791044776119,2787,0,0,1.0
OADMET-0005774,CC(c1cccnc1)N(C)C(=O)Nc1cnc(C(C)(C)C)nc1,5.05,5.222174485524495,5.026367187500001,2786,1,1,2.0
OADMET-0005773,CC(C)(C)c1cc(C(=O)N2CCC(O)(C(F)F)CC2)no1,4.38,5.135198911031087,4.9999852507374625,2785,2,0,1.0
OADMET-0005772,Cc1cc2ccccc2n1CC(=O)N1CCCC1C(C)(C)O,4.78,4.567571640014648,4.682475247524752,283,0,0,1.0
OADMET-0005771,COc1c(C(=O)N2CCN(C3CC3)c3ccccc32)cnc2c1cnn2C,5.46,5.305700302124023,5.067031249999999,20,2,1,2.0
OADMET-0005770,COc1ccc(C(NC(=O)c2cnn3cccnc23)C2CC2)cn1,4.85,4.657687822977702,4.817948717948719,100,2,0,1.0
OADMET-0005769,CC(C(=O)Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1,4.78,4.7208865483601885,4.817948717948719,2784,3,1,2.0
OADMET-0005768,O=C(NCC1(C2(O)CCC2)CC1)c1ncc(C(F)(F)F)cc1Cl,4.86,5.040635426839192,4.9999852507374625,2783,4,0,1.0
OADMET-0005767,Cc1ccc(C(=O)N(C)Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1,4.28,4.874444325764974,4.821480836236933,2782,0,0,1.0
OADMET-0005766,CC(C)(NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1cccs1,4.75,4.127060413360596,4.164821428571428,2781,1,0,1.0
OADMET-0005765,NC(=O)CC1CCCN(C(=O)NC2CCCc3sccc32)C1,4.16,4.196187655131022,4.355306748466257,2780,2,1,2.0
OADMET-0005764,C[C@@H](NC(=O)N(C)C1Cc2ccccc2C1)c1cccc(O)c1,4.65,5.240531762440999,5.026367187500001,753,4,0,1.0
OADMET-0005763,CC(C)Cn1ccnc1NC(=O)c1cc2cccn2cn1,4.21,3.7201173305511475,3.8408219178082192,2779,3,0,1.0
OADMET-0005762,O=C(c1ncoc1-c1ccon1)N1CCOc2c(Br)cccc2C1,4.79,4.394611835479736,4.543097826086957,2778,4,1,2.0
OADMET-0005761,O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCCC(O)(C(F)(F)F)C1,4.4,4.964094161987305,4.988000000000001,2777,0,0,1.0
OADMET-0005760,CC(O)CC1CCCN1C(=O)C1CCN(c2ccccc2F)C1,5.24,4.620535850524902,4.776467889908257,2776,1,1,2.0
OADMET-0005759,CC(NC(=O)NC1CC(=O)N(C2CC2)C1)c1cccc2ccccc12,4.14,5.322523752848308,5.067031249999999,2775,2,0,1.0
OADMET-0005758,COCc1noc(CN2CCc3c(Br)cc(C)cc3C2)n1,4.29,4.728297710418701,4.817948717948719,2774,3,0,1.0
OADMET-0005757,Cn1nccc1C1CCCN1CC(=O)Nc1cc(F)ccc1F,4.52,4.407747904459636,4.543097826086957,523,1,0,1.0
OADMET-0005756,CCc1cnc(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)s1,4.54,5.6781721115112305,5.284131355932205,752,2,0,1.0
OADMET-0005755,O=C(c1ccc2[nH]ncc2c1)N1CCCC(C(=O)N2CCC3(C2)Oc2ccccc2O3)C1,4.69,4.93144162495931,4.888,2773,4,0,1.0
OADMET-0005754,O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)Nc1cc[nH]n1,4.6,4.10826317469279,4.164821428571428,2772,0,0,1.0
OADMET-0005753,C[C@@H]1COC[C@@](CO)(CNC(=O)c2c(Cl)ccc3ccoc23)N1C,4.29,4.113337993621826,4.164821428571428,164,0,0,1.0
OADMET-0005752,CC[C@@H]1C(=O)NCCCN1CC(=O)Nc1ccccc1C(F)(F)F,4.62,4.882274468739827,4.821480836236933,139,3,0,1.0
OADMET-0005751,O=C(CC(C1CCC1)C1CCC1)N1CCC(c2cnccn2)C1,4.28,5.010111967722575,4.998154761904762,2771,1,0,1.0
OADMET-0005750,O=C(c1ccncc1F)N1CCN(C2CC2)c2ccccc21,4.44,4.966841379801433,4.988000000000001,20,2,1,2.0
OADMET-0005749,COCCC1(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,4.3,5.151893615722656,4.9999852507374625,2770,2,0,1.0
OADMET-0005748,CO[C@@H]1C[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)N(C(=O)OCc2ccccc2)C1,4.74,4.0719170570373535,4.092280701754386,2769,3,0,1.0
OADMET-0005747,CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCCC(C)(C)O)CC1,5.58,4.322620868682861,4.47620253164557,2768,2,0,1.0
OADMET-0005746,Cc1ccc(Br)cc1Cc1noc(CN2CCCCC(O)C2=O)n1,5.46,4.563936233520508,4.682475247524752,2767,1,1,2.0
OADMET-0005745,Nc1nccnc1C(=O)N1CCCC1c1ccccc1C(F)(F)F,4.82,5.299483299255371,5.067031249999999,2766,0,0,1.0
OADMET-0005744,Cc1ccc(C2(C)NC(=O)N(Cc3cnns3)C2=O)cc1C,4.78,4.857499440511067,4.821480836236933,2765,0,0,1.0
OADMET-0005743,O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(-c2ccco2)nn1-c1ccccc1,4.61,4.869880676269531,4.821480836236933,2764,1,0,1.0
OADMET-0005742,CC#CCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,4.06,3.6706838607788086,3.6602857142857137,2763,2,0,1.0
OADMET-0005741,N#Cc1ccc(O)c(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)c1,4.59,4.088418006896973,4.164821428571428,2762,3,0,1.0
OADMET-0005740,C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2,4.81,4.664370059967041,4.817948717948719,303,2,0,1.0
OADMET-0005739,CC(NC(=O)C1CCCN1C(=O)c1ccc2ccccc2c1O)c1cnn(C)c1,4.46,4.758666515350342,4.817948717948719,282,4,0,1.0
OADMET-0005738,Cc1ccc(S(=O)(=O)NC(=O)C2CC23CCc2ccccc23)c(C)c1,4.3,5.101064523061116,4.9999852507374625,505,4,1,2.0
OADMET-0005737,C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1,4.67,4.905297756195068,4.834642319277108,2761,4,0,1.0
OADMET-0005736,Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)cc1,5.46,4.010006745656331,4.043714285714285,2760,0,0,1.0
OADMET-0005735,CC(C)C(NC(=O)CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)c1ccc2c(c1)OCCO2,5.09,4.631982167561849,4.776467889908257,2759,1,0,1.0
OADMET-0005734,Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,4.85,4.535892486572266,4.682475247524752,677,0,0,1.0
OADMET-0005733,COc1ccc(CNc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c(Cl)c1,5.22,4.04193131128947,4.092280701754386,2758,2,0,1.0
OADMET-0005732,CNC(=O)c1ccc(C(=O)N2CCC(C)C2c2cccc(F)c2)cn1,5.12,5.213429927825928,5.026367187500001,170,1,1,2.0
OADMET-0005731,CNc1nc(C)cc(C(=O)N2CCN(C)c3ccc(F)cc32)n1,5.11,4.736734549204509,4.817948717948719,98,1,0,1.0
OADMET-0005730,Cn1cnc2ccc(C(=O)Nc3cccc(CSc4ccccn4)c3)nc21,4.59,4.791925430297852,4.821480836236933,2757,3,0,1.0
OADMET-0005729,O=c1c2ccccc2ncn1CC1CCCC(C(F)(F)F)O1,4.23,4.509066740671794,4.59815,2756,4,0,1.0
OADMET-0005728,C[C@H](C(=O)N1CCCCc2cccnc21)N1Cc2ccccc2C1=O,4.9,5.163440227508545,4.9999852507374625,708,2,1,2.0
OADMET-0005727,CC(CS(=O)(=O)N1CCc2cnccc21)c1ccccc1,5.12,5.026900132497151,4.9999852507374625,2755,4,0,1.0
OADMET-0005726,CC1(C)C(NCCNS(=O)(=O)c2ccccc2)[C@H]2CCC[C@H]21,4.83,5.262123743693034,5.067031249999999,751,3,0,1.0
OADMET-0005725,N#Cc1c(N2CCOC3(CCCCCC3)C2)nc2ccccn12,4.8,5.294132391611735,5.067031249999999,2754,1,0,1.0
OADMET-0005724,NC(=O)c1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)s1,4.84,4.9383589426676435,4.888,2753,2,0,1.0
OADMET-0005723,CCc1c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cnn1-c1ccccn1,4.17,4.407619635264079,4.543097826086957,2752,3,0,1.0
OADMET-0005722,Cc1ccc(Cn2nccc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1,4.2,4.462671438852946,4.5774358974358975,2751,4,0,1.0
OADMET-0005721,Cc1ccc(-n2cnnc2SCC(=O)N2CCc3ccccc32)cc1Cl,5.02,5.300807158152263,5.067031249999999,2750,0,0,1.0
OADMET-0005720,CCCc1cc(=O)n2nc(NCC(c3ccc(Cl)cc3)n3cccn3)sc2n1,5.0,5.162755171457927,4.9999852507374625,2749,1,0,1.0
OADMET-0005719,COC(=O)c1cc(Cl)cc(C)c1NC(=O)C1CCCCO1,4.86,4.697090943654378,4.817948717948719,2748,2,0,1.0
OADMET-0005718,Cc1ccccc1OCc1nnc(SCc2nccc(N)n2)n1-c1ccccc1,4.73,5.007564226786296,4.998154761904762,2747,3,0,1.0
OADMET-0005717,Cc1nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2cc1O,4.33,3.4231314659118652,3.4971951219512194,2746,4,0,1.0
OADMET-0005716,CCN1CCCC1CN(Cc1ccc(O)cc1)C(=O)c1nccc2ccsc12,4.51,4.742148717244466,4.817948717948719,2745,3,0,1.0
OADMET-0005715,Cn1cc(NC(=O)NCc2ccc3occc3c2)c(C2CCCCC2)n1,4.82,4.3204121589660645,4.47620253164557,172,0,0,1.0
OADMET-0005714,CC(Nc1cccc2c1OCCO2)C(=O)N(C)c1ccccc1,4.96,5.580068588256836,5.284131355932205,2744,4,0,1.0
OADMET-0005713,c1cn2ccnc2c(N2CCCCC3(CCCCC3)C2)n1,4.39,5.287381013234456,5.067031249999999,2743,0,0,1.0
OADMET-0005712,O=C(NCC1(c2ccccc2)CCCO1)c1nnc(-c2ccccc2)o1,4.49,5.224816799163818,5.026367187500001,750,3,0,1.0
OADMET-0005711,O=c1[nH]c2ccccc2cc1Cn1cc(C2(O)CC3CCC2C3)nn1,4.34,4.45052703221639,4.5774358974358975,2742,3,0,1.0
OADMET-0005710,Cc1ccc(CC(=O)NS(=O)(=O)c2ccn(-c3ccccc3)n2)cc1,4.16,4.468786398569743,4.5774358974358975,168,1,1,2.0
OADMET-0005709,Cc1cccc2c1OC(C(=O)NS(=O)(=O)c1ccc3c(c1)CCCC3)C2,4.95,4.782826741536458,4.821480836236933,2741,0,0,1.0
OADMET-0005708,CC(C)Nc1cccc(-c2cn(CCn3cccn3)nn2)c1,4.83,4.61000124613444,4.776467889908257,2740,1,0,1.0
OADMET-0005707,COc1cn(-c2ccccc2)nc1-c1nc(-c2ccccn2)no1,4.3,4.392254829406738,4.477399999999999,2739,2,0,1.0
OADMET-0005706,Cn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)CC(C1CCC1)C1CCC1,4.86,4.987095991770427,4.998154761904762,300,0,0,1.0
OADMET-0005705,CCn1cccc(NC(=O)N2CCC2c2ccc(Cl)cc2)c1=O,4.52,5.34350570042928,5.2117424242424235,557,1,0,1.0
OADMET-0005704,O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)C1,4.68,5.872207959493001,5.562857142857142,714,2,1,2.0
OADMET-0005703,CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc2c(c1)CCC(=O)N2,4.97,4.9284742673238116,4.888,137,4,0,1.0
OADMET-0005702,CC(Cc1ccc(O)cc1)NC(=O)N1CCc2cc(Cl)ccc2C1,5.22,4.769689400990804,4.821480836236933,2738,3,0,1.0
OADMET-0005701,Cc1ccc(-n2cc(C(=O)N3CC4CCCN4Cc4ccccc43)nn2)cc1,4.97,4.73801326751709,4.817948717948719,2737,4,0,1.0
OADMET-0005700,Cn1cnc(-c2ccc(C(=O)N3CCCC(C4CC4)C3)cc2)n1,4.04,4.365097363789876,4.477399999999999,2736,0,0,1.0
OADMET-0005699,CCc1ccc(-c2nnc(SC3CCN(c4ccccc4)C3=O)[nH]2)cc1,4.95,4.702701250712077,4.817948717948719,2735,1,0,1.0
OADMET-0005698,O=C(CC1CC=CC1)NS(=O)(=O)c1cc(Cl)cc2cccnc12,4.41,4.958064238230388,4.988000000000001,2734,2,0,1.0
OADMET-0005697,CCS(=O)(=O)c1cccc(CC(=O)N2CCCC2CSC)c1,4.9,5.176741758982341,4.9999852507374625,2733,3,0,1.0
OADMET-0005696,N#Cc1ccc2c(c1)CCC2NCc1cnccc1C(F)(F)F,4.22,4.678882598876953,4.817948717948719,2732,4,1,2.0
OADMET-0005695,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)s1,3.94,4.818313439687093,4.821480836236933,161,2,1,2.0
OADMET-0005694,O=C(c1c[nH]nc1-c1ccsc1)N1CCOC2(CCc3ccccc32)C1,4.96,4.76210371653239,4.817948717948719,2731,0,0,1.0
OADMET-0005693,CC1CC2CCC(C(=O)NCc3nc(C(C)C)cs3)CN2C1,4.82,4.53794002532959,4.682475247524752,2730,1,0,1.0
OADMET-0005692,CCCNC(=O)c1cccc(C(=O)N(C)Cc2cc(F)cc(F)c2)c1,4.9,4.7456003824869795,4.817948717948719,2729,2,0,1.0
OADMET-0005691,CCOc1ccc2ccccc2c1OCC1(O)CCOCC1,4.25,4.385229269663493,4.477399999999999,2728,3,0,1.0
OADMET-0005690,CCc1noc(NC(=O)N2CCCc3ccccc3CC2)n1,4.7,4.677317460378011,4.817948717948719,326,4,1,2.0
OADMET-0005689,COc1cc(C)c(NC(=O)Cn2sc3ccccc3c2=O)cc1C(F)(F)F,5.05,5.290672938028972,5.067031249999999,2727,4,0,1.0
OADMET-0005688,O=C(Nc1cnn(Cc2ccccc2)c1)C1Cc2ccccc2O1,4.59,5.107194582621257,4.9999852507374625,185,4,0,1.0
OADMET-0005687,CC(C)CN(CC(O)c1ccc(F)cc1)C(=O)NCC1CC(=O)Nc2ccccc21,5.04,4.980750401814778,4.988000000000001,2726,0,0,1.0
OADMET-0005686,O=C(c1cnccn1)N(c1ccc(Br)cc1Cl)C1CCC1,5.1,4.737083911895752,4.817948717948719,2725,1,0,1.0
OADMET-0005685,O=S(=O)(CCc1ccc2c(c1)CCO2)N(Cc1ccccc1Cl)C1CC1,4.22,5.246703465779622,5.026367187500001,2724,2,0,1.0
OADMET-0005684,COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(C(C)CO)CC1,4.67,4.2336686452229815,4.355306748466257,325,4,0,1.0
OADMET-0005683,CC(=O)N1CCC(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc23)C1,4.77,5.590209325154622,5.284131355932205,2723,3,0,1.0
OADMET-0005682,Cc1ccc(C2(CNC(=O)N3CCCC(C)(O)C3)CC2)c(C)c1,4.9,4.809840361277263,4.821480836236933,140,0,0,1.0
OADMET-0005681,O=C(NS(=O)(=O)c1ccc2c(c1)COC2)c1cc2c(s1)CCCC2,5.17,4.539312203725179,4.682475247524752,732,2,0,1.0
OADMET-0005680,O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(NCC2CC2)nc1,4.27,5.035673459370931,4.9999852507374625,749,2,0,1.0
OADMET-0005679,CN(c1ccccc1)c1nc(C(=O)N2CC3(C2)CC3(F)F)cs1,4.4,5.579211393992106,5.284131355932205,2722,4,0,1.0
OADMET-0005678,O=C(c1ccc2oc(=O)[nH]c2c1)N1CCOCC12CCCCC2,5.14,3.8560078144073486,3.916360294117648,2721,2,0,1.0
OADMET-0005677,CC1CC(C(=O)Nc2ccc(F)c(C(N)=O)c2)(c2cccc(Cl)c2)C1,5.13,4.670297304789226,4.817948717948719,748,0,0,1.0
OADMET-0005676,CC1(c2ccc(C(=O)N3CCN(C4CC4)c4ccccc43)cc2)NC(=O)NC1=O,5.66,5.1628594398498535,4.9999852507374625,20,2,1,2.0
OADMET-0005675,CCCn1cc(-c2cn(Cc3ccn(Cc4ccccc4)n3)nn2)cn1,4.41,4.404895464579265,4.543097826086957,537,2,1,2.0
OADMET-0005674,CC(C)CC(=O)Nc1ccc(NCc2cccc3nnn(C)c23)cc1,5.2,4.552908897399902,4.682475247524752,2720,1,0,1.0
OADMET-0005673,CC1(c2cc(NS(=O)(=O)c3ccc(F)cc3F)on2)CC1,4.39,5.106909434000651,4.9999852507374625,2719,1,1,2.0
OADMET-0005672,O=C(Nc1cccc(F)c1F)NC1CCCN(C2CCCCC2)C1=O,4.92,5.01222022374471,4.998154761904762,99,3,0,1.0
OADMET-0005671,CC(C)(C)OC(=O)C(C)(C)NCc1ccc2c(c1)NC(=O)CO2,4.94,4.546827475229899,4.682475247524752,2718,2,0,1.0
OADMET-0005670,COc1ccccc1C(C)NC(=O)CN(C(C)C)S(C)(=O)=O,4.6,5.366116523742676,5.2117424242424235,2717,3,0,1.0
OADMET-0005669,COc1cc(C(C)NC(=O)N2CCOC[C@H]2C)cc2ccccc12,4.68,5.176860014597575,4.9999852507374625,2716,4,0,1.0
OADMET-0005668,CC(C)(C(=O)N1CCCC(CO)(Cc2ccccc2)C1)n1cccn1,5.27,4.78942886988322,4.821480836236933,747,2,0,1.0
OADMET-0005667,Cc1cc(NC(=O)NCc2cccc(Oc3ccccc3F)c2)n(C2CCS(=O)(=O)C2)n1,5.14,4.304210027058919,4.47620253164557,324,4,1,2.0
OADMET-0005666,CCCCn1ncc(NC(=O)NC2CCOC23CCCC3)c1C(C)C,5.25,4.7290425300598145,4.817948717948719,2715,0,0,1.0
OADMET-0005665,COc1ccccc1-c1cn(C(C)c2cnc(C)cn2)nn1,4.39,4.842235406239827,4.821480836236933,2714,1,1,2.0
OADMET-0005664,COCc1nn(Cc2nc(N)c3c4c(sc3n2)CCCC4)c(=O)o1,5.28,4.136441469192505,4.311111111111112,737,4,0,1.0
OADMET-0005663,CCC(C)(C)NC(=O)C(C)n1cc(-c2ncccc2F)nn1,4.85,4.549770355224609,4.682475247524752,2713,2,0,1.0
OADMET-0005662,O=c1ccn(-c2ccc(F)cc2)nc1-c1nc(Cc2cccc(Cl)c2)no1,4.28,4.838272412618001,4.821480836236933,2712,3,0,1.0
OADMET-0005661,CC1(C)CNC(=O)C1NCc1nc(C(F)(F)F)n2c1CCCC2,5.08,4.915222962697347,4.860652173913044,689,0,0,1.0
OADMET-0005660,Cn1ncc(NC(=O)NCC(C)(C)c2ccc3ccccc3c2)c1C(F)F,4.75,5.014439741770427,4.998154761904762,2711,4,0,1.0
OADMET-0005659,CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1(C#N)CCCCC1,5.12,5.151233832041423,4.9999852507374625,2710,0,0,1.0
OADMET-0005658,COc1cccc(C(=O)NCCNC(=O)C2COc3ccccc3C2)c1,4.51,4.14340337117513,4.311111111111112,112,4,0,1.0
OADMET-0005657,Cc1[nH]c2ccc(F)cc2c1CCNC(=O)C1CCCc2[nH]ncc21,4.63,4.790843963623047,4.821480836236933,2709,1,0,1.0
OADMET-0005656,O=C(NCC(F)(F)C(F)F)C1CCN(c2ccccc2Cl)C1,4.89,3.8262031078338623,3.916360294117648,97,0,0,1.0
OADMET-0005655,Cc1c(NC(=O)C(C)N2CCCN(Cc3nccn3C(C)C)CC2)cccc1[N+](=O)[O-],5.2,4.162566026051839,4.355306748466257,2708,2,0,1.0
OADMET-0005654,FC(F)c1noc(CN2Cc3ncccc3N3CCC[C@H]3C2)n1,5.16,4.367495059967041,4.477399999999999,165,4,0,1.0
OADMET-0005653,CCCc1csc(NC(=O)N2CCCC2c2ccc3c(c2)OCCO3)n1,5.41,5.536020437876384,5.284131355932205,746,4,0,1.0
OADMET-0005652,Cc1ccc(C(=O)N2CCCC(n3ccnn3)C2)c(F)c1Cl,4.45,4.937795162200928,4.888,39,2,1,2.0
OADMET-0005651,CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)NC2Cc3ccccc3C2)c1,4.09,4.0516713460286455,4.092280701754386,312,4,0,1.0
OADMET-0005650,O=C(c1coc(C2CC2)n1)N1CCOc2c(Cl)cc(Br)cc21,4.27,5.445442835489909,5.262840909090909,2707,3,0,1.0
OADMET-0005649,CC1OCCCC1C(=O)Nc1cc(-c2cccs2)nn1CCO,4.79,4.266315460205078,4.355306748466257,301,3,0,1.0
OADMET-0005648,COc1cccc(OC)c1C(=O)NC(C)c1csc(C)n1,4.53,4.702592213948567,4.817948717948719,171,1,0,1.0
OADMET-0005647,CC(C)c1cc(NCc2nnc(C(C)C)n2C)nc(C(C)C)n1,4.53,4.970032215118408,4.988000000000001,2706,4,0,1.0
OADMET-0005646,CN(C(=O)Cc1c[nH]c2ccc(F)cc12)C(CC(N)=O)C(F)(F)F,4.64,4.229248523712158,4.355306748466257,2705,0,0,1.0
OADMET-0005645,CN(C(=O)Cn1c(-c2ccccc2)nc2ccccc21)c1cccnc1,4.65,4.878126303354899,4.821480836236933,2704,1,0,1.0
OADMET-0005644,O=S(=O)(Nc1cnn(CC(F)(F)F)c1C1CC1)c1cccc2ncccc12,5.1,5.1421324412028,4.9999852507374625,2703,2,0,1.0
OADMET-0005643,CNC(=O)Cn1cc(NCc2cccc(-c3ccc(C)cc3)c2)cn1,4.29,4.130409399668376,4.311111111111112,2702,3,0,1.0
OADMET-0005642,CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccn(Cc3ccccc3)n2)C1,5.14,4.83027982711792,4.821480836236933,2701,4,0,1.0
OADMET-0005641,COc1cc(F)c(C(C)NC(=O)c2ccccc2OC(F)(F)F)cc1OC,5.1,4.705551942189534,4.817948717948719,2700,0,0,1.0
OADMET-0005640,CN(Cc1cccc(O)c1)C(=O)c1cccc(N2CCCC2)c1,4.67,5.331121762593587,5.16875,573,4,0,1.0
OADMET-0005639,CC1(C)CN(C(=O)NC2CCOc3c(Cl)cccc32)C1c1ccncc1,4.8,4.819206078847249,4.821480836236933,2699,0,1,2.0
OADMET-0005638,COCCn1nnnc1NC(=O)C1CCc2ccccc2C1,4.84,4.019070466359456,4.043714285714285,2698,2,0,1.0
OADMET-0005637,Cc1cc(C)c(-c2ccc3nc(CO)n(C)c3c2)c(C)c1,4.09,4.386617819468181,4.477399999999999,2697,2,0,1.0
OADMET-0005636,CC(=O)N1CCCCCC1C1CCN(c2cc(O)nc(C)n2)CC1,5.12,4.995664278666179,4.998154761904762,745,0,1,2.0
OADMET-0005635,Cc1noc2ncc(S(=O)(=O)NC3C4CCc5ccccc5C43)cc12,4.89,5.551210085550944,5.284131355932205,744,1,0,1.0
OADMET-0005634,O=C(Cn1ccc2ccccc2c1=O)N1CCC(Cc2ccccc2)C1,4.09,4.514730135599772,4.59815,9,2,0,1.0
OADMET-0005633,COc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1-n1nnnc1C,4.43,3.9361799558003745,3.916360294117648,2696,1,0,1.0
OADMET-0005632,Cc1oc(-c2ccccc2)nc1Cc1nc(Cc2ccon2)no1,5.1,4.755737940470378,4.817948717948719,2695,1,0,1.0
OADMET-0005631,COc1cc(OC)cc(-c2noc(NC(C)CSC)n2)c1,4.35,4.8655327161153155,4.821480836236933,2694,2,0,1.0
OADMET-0005630,COc1ccc(C(CCO)NC(=O)NCCc2c[nH]c3ccccc23)cc1,4.63,4.191809336344401,4.355306748466257,14,1,0,1.0
OADMET-0005629,COC1CCCC(CC(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1,4.73,4.494978268941243,4.59815,2693,3,0,1.0
OADMET-0005628,CCCS(=O)(=O)c1ccccc1C(=O)NCC1(O)CCCCCC1,5.27,4.646196524302165,4.817948717948719,743,4,0,1.0
OADMET-0005627,C[C@@H]1CN(C(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H](C)O1,4.68,3.5928215980529785,3.571791044776119,2692,4,0,1.0
OADMET-0005626,NC(=O)C1(c2ccccc2)CCN(c2nnc(C(F)(F)F)s2)CC1,3.51,4.5790754954020185,4.682475247524752,661,0,1,2.0
OADMET-0005625,CC(C)Oc1ccc(S(=O)(=O)Nc2cn(C)nc2C(F)F)cn1,4.57,4.799051443735759,4.821480836236933,2691,0,0,1.0
OADMET-0005624,CC(C)(NC(=O)c1ccc2c(c1O)CCCC2)c1nnn[nH]1,4.16,3.7560319900512695,3.8408219178082192,2690,1,0,1.0
OADMET-0005623,Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc2[nH]ncc12,4.87,4.577951908111572,4.682475247524752,440,0,0,1.0
OADMET-0005622,OC1(C(F)(F)F)CCN(c2cncc(OC3CCCCC3)n2)C1,5.15,4.686508496602376,4.817948717948719,329,3,0,1.0
OADMET-0005621,COC(=O)c1cnc(NC(=O)c2ccccc2OC2CCCC2)s1,4.95,5.151437441507976,4.9999852507374625,122,2,0,1.0
OADMET-0005620,COc1cc(C(=O)NCCN2CCc3sccc3C2)ccc1C,4.67,4.173490842183431,4.355306748466257,16,1,0,1.0
OADMET-0005619,Cc1noc2nc(C(C)C)cc(C(=O)N3CCOCC3(C)C3CC3)c12,5.05,5.5851030349731445,5.284131355932205,2689,2,1,2.0
OADMET-0005618,O=C(NC(c1ccccn1)C1CCC1)c1nn[nH]c1-c1ccccc1,4.96,4.799023787180583,4.821480836236933,2688,3,0,1.0
OADMET-0005617,CC(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1nc(-c2ccccc2)no1,4.87,4.870450973510742,4.821480836236933,41,4,0,1.0
OADMET-0005616,COc1ccc(C(=O)NCC2CCOc3ccccc32)cc1N1CCNC1=O,4.54,4.752165158589681,4.817948717948719,290,2,0,1.0
OADMET-0005615,Cn1ncc2c(=O)[nH]c(CCC(=O)N3CCC(c4ccc(F)cc4)CC3)nc21,4.93,4.584384600321452,4.682475247524752,2687,4,0,1.0
OADMET-0005614,CCCC1(CO)CCCN1C(=O)C(C)NS(=O)(=O)c1cccs1,5.32,5.547531445821126,5.284131355932205,503,2,0,1.0
OADMET-0005613,CC(C(=O)N1CCOCC1c1nc2ccccc2s1)c1cccnc1,5.04,4.627593835194905,4.776467889908257,2686,0,0,1.0
OADMET-0005612,O=c1cc(N2CCCC3(CCCCN3)C2)[nH]c(=O)n1Cc1ccccc1,4.53,3.998438517252604,4.031000000000001,2685,1,0,1.0
OADMET-0005611,COc1ccc(CCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1OC,4.85,3.984276612599691,4.031000000000001,26,0,0,1.0
OADMET-0005610,COc1ccccc1N1CCC(NC(=O)c2sccc2-n2cnnn2)CC1,4.85,4.7209272384643555,4.817948717948719,65,4,0,1.0
OADMET-0005609,COc1ccc([C@@H]2C[C@H]2C(=O)NCc2cc(F)ccc2F)cc1,4.15,5.007955392201741,4.998154761904762,2684,2,1,2.0
OADMET-0005608,CCc1ccccc1-n1cc(C(=O)NC(C)c2nn(C)cc2O)nn1,4.53,4.397814114888509,4.543097826086957,2683,3,0,1.0
OADMET-0005607,CC(NC(=O)CN1CCC(CO)CC1)c1ccc(F)c2ccccc12,4.73,4.351129372914632,4.47620253164557,2682,4,0,1.0
OADMET-0005606,CCCc1nc(C(C)(C)NC(=O)c2cccc(-c3ncn[nH]3)c2)no1,4.59,4.2858076095581055,4.355306748466257,742,1,0,1.0
OADMET-0005605,COc1cccc(OC)c1C(=O)NC(C)c1cnn(C(C)C)c1,4.91,4.8224131266276045,4.821480836236933,171,1,0,1.0
OADMET-0005604,CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2nc(C(C)(C)C)cs2)C1,3.91,4.5765150388081866,4.682475247524752,250,0,0,1.0
OADMET-0005603,NS(=O)(=O)c1cccc(N2CC(C(=O)N3CCc4ccc(Cl)cc43)CC2=O)c1,4.29,4.298365592956543,4.47620253164557,691,3,1,2.0
OADMET-0005602,CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cccn(C)c1=O,4.47,4.734179814656575,4.817948717948719,323,3,0,1.0
OADMET-0005601,O=C(NCC1OCCc2ccccc21)c1occc1COc1ccccc1,4.87,5.3812575340271,5.234230769230769,606,0,0,1.0
OADMET-0005600,CCc1nn(C)c(CC)c1CN1CCCC1c1cccnc1,4.73,4.3154269854227705,4.47620253164557,2681,0,0,1.0
OADMET-0005599,CN(C(=O)c1c[nH]nc1-c1ccccn1)C1CCc2ccccc2C1,4.43,4.56997807820638,4.682475247524752,669,0,1,2.0
OADMET-0005598,COc1cncc(C(=O)NC(c2ccccc2)c2cccc(S(C)(=O)=O)c2)n1,4.92,5.175183614095052,4.9999852507374625,2680,1,0,1.0
OADMET-0005597,Cc1cc(NC(=O)c2ccc(Cl)c3cccnc23)n(C)n1,4.77,4.295283317565918,4.355306748466257,151,4,0,1.0
OADMET-0005596,CNC(=O)c1cccnc1N1CCc2ccccc2C(C)(C)C1,4.79,5.028148333231608,4.9999852507374625,2679,2,0,1.0
OADMET-0005595,O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cc2ncccn2n1,4.93,4.18390417098999,4.355306748466257,162,4,1,2.0
OADMET-0005594,O=C(c1nc2ccccc2c(=O)[nH]1)N1C[C@H](Cc2ccccc2)[C@@H](O)C1,4.24,4.244065682093303,4.355306748466257,2678,3,1,2.0
OADMET-0005593,COCc1cccc(CC(=O)N2CCC(c3nccc(C)n3)CC2)c1,4.74,3.604722181955973,3.571791044776119,102,2,0,1.0
OADMET-0005592,Cc1[nH]c(=O)c(C(=O)NC2CCCN(c3cnn(C)c3)C2)cc1-c1ccccc1,4.65,3.5097550551096597,3.4971951219512194,2677,4,0,1.0
OADMET-0005591,CC(C)c1nnc2c(NC3CCCC3CNS(C)(=O)=O)nccn12,4.9,4.033275604248047,4.092280701754386,2676,0,0,1.0
OADMET-0005590,O=C(CCc1ccccc1Cl)N1CCCC1CN1CCOCC1,4.63,5.019596258799235,4.998154761904762,103,3,0,1.0
OADMET-0005589,Cc1cccn2c(=O)cc(COC(=O)c3cc4cc(Br)ccc4[nH]3)nc12,5.16,5.302081267038981,5.067031249999999,741,1,0,1.0
OADMET-0005588,O=C(CCNC(=O)C1CCCN1C(=O)c1ccccc1O)NC1CCCCC1,4.45,4.244980335235596,4.355306748466257,167,2,0,1.0
OADMET-0005587,Cc1cc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)oc2cc1C,4.26,4.454185485839844,4.5774358974358975,322,0,0,1.0
OADMET-0005586,Cc1cccc(C(=O)O)c1NC(=O)C(O)(c1ccccc1)c1ccccc1,4.68,4.207164287567139,4.355306748466257,36,0,1,2.0
OADMET-0005585,Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)NC(=O)CC(=O)N2,5.04,5.164948304494222,4.9999852507374625,2675,4,0,1.0
OADMET-0005584,Clc1ccccc1N1CCC(c2nc(-c3cccc4[nH]ccc34)no2)C1,4.05,4.735485553741455,4.817948717948719,2674,3,0,1.0
OADMET-0005583,CC(C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)OC2(C)C)C1=CCCC1,4.27,5.217876593271892,5.026367187500001,2673,2,0,1.0
OADMET-0005582,O=C(c1cnn(-c2ccccn2)c1C(F)(F)F)N1CC2CCC1C2,4.85,5.687193711598714,5.284131355932205,2672,2,0,1.0
OADMET-0005581,COC(Cn1nnn(-c2ccc(F)cc2)c1=O)C1CCCOC1,4.66,4.6603654225667315,4.817948717948719,2671,3,0,1.0
OADMET-0005580,Cc1ccc(NC(=O)c2cccn(C)c2=O)c2cccnc12,4.11,3.609176238377889,3.571791044776119,2670,4,0,1.0
OADMET-0005579,O=C(NCc1cc2ccccc2s1)NC[C@]12C[C@H]1COC21CCC1,4.85,4.498034159342448,4.59815,2669,0,0,1.0
OADMET-0005578,COc1ccc(N(C)C(=O)Cn2ncc3ccccc3c2=O)c(OC)c1,4.77,4.802781263987224,4.821480836236933,740,2,0,1.0
OADMET-0005577,O=C(Cc1cccc2cccnc12)N1CCCCC1c1ncon1,4.9,5.3231940269470215,5.067031249999999,522,0,1,2.0
OADMET-0005576,CC(C)n1nnnc1-c1ccc(NS(=O)(=O)c2cnn(C)c2)cc1F,4.12,3.8083114624023438,3.916360294117648,2668,1,0,1.0
OADMET-0005575,CC(=O)NCc1ccc(C(=O)NC(c2nc3ccccc3[nH]2)C2CCCCC2)o1,4.82,4.735762755076091,4.817948717948719,2667,2,0,1.0
OADMET-0005574,COc1ccccc1N1CCC(NC(=O)Cc2noc3ccccc23)C1,5.28,5.2552469571431475,5.067031249999999,65,4,0,1.0
OADMET-0005573,O=C1NCCN(C(=O)NC2CCc3c(Cl)cccc32)C1c1ccccc1,4.73,4.957448164621989,4.988000000000001,311,0,0,1.0
OADMET-0005572,CC(C)(C)NS(=O)(=O)NC(=O)C(C)(C)c1cccc(C#N)c1,4.77,4.800003369649251,4.821480836236933,2666,3,0,1.0
OADMET-0005571,CC(c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccnc2nn[nH]c12,4.75,4.919522603352864,4.888,2665,4,0,1.0
OADMET-0005570,CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cc(=O)c3cc(O)ccc3o2)c1,5.08,5.235361258188884,5.026367187500001,2664,0,0,1.0
OADMET-0005569,CC(=O)NC1(c2noc(C3(C#N)CCSCC3)n2)CCCCC1,4.68,5.325998783111572,5.067031249999999,2663,1,0,1.0
OADMET-0005568,Cc1cc(N)n2ncc(C(=O)NCc3cccc(O)c3F)c2n1,4.35,3.6245099703470864,3.571791044776119,709,1,0,1.0
OADMET-0005567,O=C(N1CCc2nc[nH]c(=O)c2C1)C1(Cc2ccccc2)CCc2ccccc21,5.12,5.224898338317871,5.026367187500001,2662,1,0,1.0
OADMET-0005566,CC(c1ccccn1)N(C)C(=O)c1nc2cc(Br)c(F)cc2[nH]1,5.31,4.608631769816081,4.776467889908257,2661,3,0,1.0
OADMET-0005565,N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(COCC2CCCO2)c1,5.28,5.213339010874431,5.026367187500001,2660,4,0,1.0
OADMET-0005564,COc1cccc(C(CNc2nc(C)c3ccccc3n2)N(C)C)c1,4.88,5.050532817840576,4.9999852507374625,2659,0,0,1.0
OADMET-0005563,CN(CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)c1ccco1,5.18,4.520494143168132,4.59815,592,4,1,2.0
OADMET-0005562,O=C(c1c[nH]c(=O)c2ccccc12)N1CCCN(c2ccccn2)CC1,5.03,4.503108183542888,4.59815,2658,1,1,2.0
OADMET-0005561,CCOc1nccc(C)c1C(=O)N1CC[C@@H](Oc2ccccc2)C1,4.59,4.7646074295043945,4.817948717948719,321,2,0,1.0
OADMET-0005560,CCNC(=O)c1ccc(CNC(=O)CN(C(=O)CC2OCCc3ccsc32)C2CC2)cc1,4.8,4.348024368286133,4.47620253164557,2657,2,0,1.0
OADMET-0005559,O=C(COc1ccccc1-n1ccnc1)Nc1ccc(Cl)cc1,4.96,3.877018690109253,3.916360294117648,2656,3,0,1.0
OADMET-0005558,COc1ccccc1-c1noc(C(C)NC(=O)N2CCC(C(C)O)CC2)n1,4.61,4.121597369511922,4.164821428571428,2655,4,0,1.0
OADMET-0005557,C[C@@H](NC(=O)c1cnc(-c2nccs2)[nH]c1=O)c1cccc(F)c1,5.13,4.494865258534749,4.59815,2654,0,0,1.0
OADMET-0005556,CC(NC1CCCc2ncc(C(F)(F)F)cc21)c1cccc(C#N)c1,5.22,5.1806230545043945,5.026367187500001,2653,1,1,2.0
OADMET-0005555,CC(C)c1nsc(CN2CC34CCCCC3(CN(C)C4)C2)n1,4.53,3.8933626810709634,3.916360294117648,2652,0,0,1.0
OADMET-0005554,O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)c1cc(-c2cccnc2)nc2ccccc12,4.58,3.8895442485809326,3.916360294117648,541,1,0,1.0
OADMET-0005553,O=C(NCC1(c2ccc(Cl)cc2)CCC1)NCC1(N2CCOCC2)CC1,4.79,5.54453182220459,5.284131355932205,2651,1,1,2.0
OADMET-0005552,CCC(c1cc(Cl)cc2c1OCC2)n1cc(CN2CCOCCC2=O)nn1,5.14,4.930671691894531,4.888,2650,2,0,1.0
OADMET-0005551,CCNC(=O)C(c1cccc(OCC)c1)N1CC2CN(C(=O)CCSC)CC2C1,5.3,4.568280220031738,4.682475247524752,2649,0,0,1.0
OADMET-0005550,CCN1CCCC(NC(=O)Nc2cccc3cc[nH]c23)C1=O,5.0,4.831399440765381,4.821480836236933,739,0,0,1.0
OADMET-0005549,COc1ccc2ccccc2c1CNC(=O)NC1CCN(C(C)(C)C)C1,5.09,4.973710854848226,4.988000000000001,738,3,0,1.0
OADMET-0005548,O=C(NC1(c2noc(C3CCCO3)n2)CCCCCC1)c1csnn1,4.83,3.956021467844645,4.0285714285714285,2648,2,0,1.0
OADMET-0005547,O=C(NC[C@H]1CCCO1)N1CCc2ccccc2[C@@H]1c1ccccc1,5.37,5.477676868438721,5.284131355932205,320,1,0,1.0
OADMET-0005546,Cc1ccnc(COC(=O)Cc2csc3ccc(Br)cc23)n1,4.93,4.5932871500651045,4.776467889908257,2647,3,0,1.0
OADMET-0005545,CC1CCN(C(=O)Nc2cnn(C(F)F)c2)CC12CCC2,5.43,4.968724409739177,4.988000000000001,2646,4,1,2.0
OADMET-0005544,CC(C)N1CCC(NS(=O)(=O)CC2OCCC2(C)C)C1=O,4.8,5.608164151509603,5.284131355932205,2645,0,0,1.0
OADMET-0005543,Cc1nc2nc(SCc3ccc(C(F)(F)F)nc3)nn2c(C)c1C,5.1,4.8270901044209795,4.821480836236933,2644,1,0,1.0
OADMET-0005542,COc1c(C)cccc1CNC(=O)NC1CCOCC12CCCC2,5.28,4.924417495727539,4.888,2643,2,0,1.0
OADMET-0005541,Cc1cc(C)c2nc(NC(=O)CCOC3CCOCC3)sc2c1,4.68,5.390833059946696,5.234230769230769,2642,3,1,2.0
OADMET-0005540,CN(Cc1noc(C2CC2)n1)C(=O)c1ccc2ccccc2n1,4.63,4.957467873891194,4.988000000000001,68,2,0,1.0
OADMET-0005539,CC(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(=O)N(C)CCC#N,4.82,5.2302578290303545,5.026367187500001,2641,4,0,1.0
OADMET-0005538,O=C(c1ccn(-c2ccccc2F)n1)N1CCC(Oc2ccccn2)C1,4.43,4.530165354410808,4.619999999999999,143,4,0,1.0
OADMET-0005537,O=C(c1ncnc2c1OCCO2)N1CCCC1Cc1cccc2ccccc12,5.19,5.162510236104329,4.9999852507374625,2640,0,0,1.0
OADMET-0005536,NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2ccc(Cl)cc2n1,4.49,4.423531532287598,4.543097826086957,322,0,0,1.0
OADMET-0005535,COc1ccc(C(=O)OCc2nc(N)c3c4c(sc3n2)CCCC4)cc1O,5.23,4.606802781422933,4.776467889908257,737,4,0,1.0
OADMET-0005534,CCCC1(COC)CCCN1C(=O)c1sc(S(N)(=O)=O)cc1C,5.49,5.567710081736247,5.284131355932205,248,2,0,1.0
OADMET-0005533,CC(CNC(=O)c1cccc2c1CNCC2)c1ccc(F)cn1,4.21,4.199008623758952,4.355306748466257,2639,1,0,1.0
OADMET-0005532,O=C(NC1CCC2(CCCCC2)CC1)C1CC=CCC1C(=O)N1CCOCC1,5.22,4.013214270273845,4.043714285714285,2638,2,0,1.0
OADMET-0005531,CCn1ncc(CNC(=O)Cc2nc(C(C)C)c(C)s2)c1C,4.4,4.527656237284343,4.619999999999999,2637,3,0,1.0
OADMET-0005530,O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1n[nH]c2ccccc12,4.88,4.702942848205566,4.817948717948719,736,4,0,1.0
OADMET-0005529,COc1cc(C(=O)NC2CCCN(c3ccccn3)C2)cc2c1OC(C)C2,5.3,4.7936452229817705,4.821480836236933,288,3,0,1.0
OADMET-0005528,CN(C)S(=O)(=O)C1(Cn2c(=O)[nH]c3cc4c(cc3c2=O)CCCC4)CC1,3.86,5.096544106801351,4.9999852507374625,2636,4,0,1.0
OADMET-0005527,COC(=O)c1cccc(-c2nc(-c3cn(CC4CCCCNC4)nn3)cs2)c1,4.09,3.4721272786458335,3.4971951219512194,2635,0,0,1.0
OADMET-0005526,O=C(NC1CCN(C2CC2)C1=O)C(c1cc(Cl)cc(Cl)c1)N1CCOCC1,5.07,5.198104699452718,5.026367187500001,2634,1,0,1.0
OADMET-0005525,COc1ccc(-n2nnnc2CNC(C)(C)c2cccc(C#N)c2)cc1,5.54,4.955171585083008,4.988000000000001,112,4,0,1.0
OADMET-0005524,CC(O)C(Nc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F,5.3,5.3360850016276045,5.2117424242424235,2633,2,0,1.0
OADMET-0005523,O=C(Nc1c[nH]c2ccccc12)c1conc1C1CCCC1,4.43,4.525612195332845,4.59815,2632,3,1,2.0
OADMET-0005522,CCC(C)NC(=O)C1CSCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O,5.37,5.270931720733643,5.067031249999999,2631,4,0,1.0
OADMET-0005521,C=CCC1(C(=O)OCC)CCN(C(=O)c2nn[nH]c2C2CC2)C1,4.49,4.533916473388672,4.682475247524752,2630,0,0,1.0
OADMET-0005520,CCC1CCN(C(=O)c2nn(-c3cccc(Cl)c3)nc2C)C1,4.29,5.6127058664957685,5.284131355932205,2629,1,0,1.0
OADMET-0005519,Nc1nc(COC(=O)c2cncc(-c3ccccc3)c2)nc2ccccc12,4.81,4.19743537902832,4.355306748466257,2628,4,0,1.0
OADMET-0005518,O=C(NCCN1CC2CCCCN2C1=O)c1cccc2scnc12,5.39,4.686285495758057,4.817948717948719,2627,3,0,1.0
OADMET-0005517,O=C(CCc1cn[nH]c1)N1CC2CCN(C(=O)CC3CCCCC3)C(C2)C1,4.92,4.756157875061035,4.817948717948719,2626,3,0,1.0
OADMET-0005516,Cc1cc(C)c(C#N)c(NCc2ccc3c(c2)CNC3)n1,4.46,4.116549650828044,4.164821428571428,2625,4,0,1.0
OADMET-0005515,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N3CC(OC(=O)NC(C)C)C3)cc2)cc1,5.1,4.577470302581787,4.682475247524752,2624,0,0,1.0
OADMET-0005514,Cc1nnc(N(C)C(=O)[C@]2(c3ccccc3)C[C@@H](F)C2)s1,4.7,4.829004764556885,4.821480836236933,330,2,0,1.0
OADMET-0005513,COc1ccc(-c2nnc3n2CC(C)(C)CC3)c(OC)c1,5.2,5.229337215423584,5.026367187500001,735,0,0,1.0
OADMET-0005512,N#CC1(c2nnc(-c3ccc(COc4ccccc4)o3)o2)CCCC1,5.01,4.75150998433431,4.817948717948719,2623,1,0,1.0
OADMET-0005511,Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cnc4cc[nH]c4c3)CCC2C)c1,4.73,4.644957701365153,4.817948717948719,2622,2,0,1.0
OADMET-0005510,N#Cc1cc2c(nc1N1CCC(O)(C(F)(F)F)C1)CCC2,4.99,5.042926947275798,4.9999852507374625,329,3,0,1.0
OADMET-0005509,O=C(N[C@]12C[C@H]1CN(C(=O)C1(Cc3cccc(F)c3)CC1)C2)C1CCCCC1,5.68,5.4390614827473955,5.262840909090909,2621,3,1,2.0
OADMET-0005508,Cn1c(C2C(C3CC3)CCN2C(=O)c2nc(C3CC3)n3ccccc23)n[nH]c1=O,5.34,5.000265121459961,4.998154761904762,2620,4,0,1.0
OADMET-0005507,Cc1nn(C)c2ncc(C(=O)N3CCCC3c3cccc(F)c3)cc12,5.31,5.404956499735515,5.234230769230769,170,1,0,1.0
OADMET-0005506,CCC(C)n1nc(NC(=O)C2CNC(=O)c3ccccc32)cc1C,5.18,5.009940942128499,4.998154761904762,588,1,0,1.0
OADMET-0005505,O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC1CCc2c(F)cccc21,4.48,4.6009416580200195,4.776467889908257,2619,0,0,1.0
OADMET-0005504,CCC1CN(c2ccccc2)CCN1C(=O)c1cc(OC)ns1,4.77,4.996745427449544,4.998154761904762,2618,1,1,2.0
OADMET-0005503,Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(CC(=O)O)c1,4.95,4.853406270345052,4.821480836236933,2617,2,0,1.0
OADMET-0005502,Cc1cc(Br)c2ccccc2c1NC(=O)c1cn(CCN(C)C)nn1,4.87,4.523462613423665,4.59815,2616,3,0,1.0
OADMET-0005501,Cc1cccnc1C(F)(F)C(=O)N(CC1CCOC1)C1CC1,5.29,5.057843208312988,4.9999852507374625,2615,4,0,1.0
OADMET-0005500,CC(NC(=O)Cn1nnnc1C1CC1)c1ccc2c(c1)CCCC2,4.64,5.125090916951497,4.9999852507374625,2614,0,0,1.0
OADMET-0005499,CCc1nc(CS(=O)(=O)CC(=O)Nc2ccc3c(c2)CCC3)cs1,5.17,5.099713325500488,4.9999852507374625,2613,1,0,1.0
OADMET-0005498,Cc1cc(C(=O)N2CCCC(CNC(=O)c3cccc4nn[nH]c34)C2)nc2ccccc12,3.8,5.157703717549642,4.9999852507374625,734,1,0,1.0
OADMET-0005497,C[C@H](c1ccccc1)N(CC(N)=O)S(=O)(=O)c1cnn(-c2ccccc2)c1,4.9,5.727949301401774,5.284131355932205,2612,2,0,1.0
OADMET-0005496,COc1ccc(C)cc1NC(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1,5.08,5.2667236328125,5.067031249999999,2611,3,0,1.0
OADMET-0005495,CC(C)N1CCC(n2cc(COc3ccccc3Cl)nn2)C1=O,5.03,5.140189965565999,4.9999852507374625,2610,4,0,1.0
OADMET-0005494,C[C@@H](NC(=O)C1CCCc2ccnn21)c1ccc(Cl)cc1,5.36,5.346587340037028,5.2117424242424235,2609,0,0,1.0
OADMET-0005493,CN(Cc1ccnn1-c1ccc(F)cc1)CC(O)Cc1ccccc1,5.13,4.329408327738444,4.47620253164557,2608,1,0,1.0
OADMET-0005492,O=C(CNC1CCCOc2c(Br)cccc21)NCC1CC1,5.35,5.151717185974121,4.9999852507374625,2607,2,0,1.0
OADMET-0005491,CC1(C)CCN(C(=O)NCc2cc[nH]n2)CC1c1ccccc1,4.84,4.829396883646647,4.821480836236933,2606,0,0,1.0
OADMET-0005490,Cc1cc(CNC(=O)NC2CCc3c(Br)cccc32)on1,4.96,5.360222339630127,5.2117424242424235,319,4,0,1.0
OADMET-0005489,O=C(NCc1cn2c(n1)CCCC2)NC1CC(c2cccc(Cl)c2)C1,4.94,4.915203253428142,4.860652173913044,2605,4,0,1.0
OADMET-0005488,O=C(NCCN1CCc2sccc2C1)c1cc2ccccc2[nH]1,5.04,4.2612864176432295,4.355306748466257,318,1,0,1.0
OADMET-0005487,CC(C)n1c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc21,4.78,4.4936137199401855,4.59815,2604,3,0,1.0
OADMET-0005486,O=C1CCc2cc(S(=O)(=O)N3CCOc4ccccc4C3)ccc2N1,4.93,4.782893816630046,4.821480836236933,2603,2,0,1.0
OADMET-0005485,COc1ccccc1C1CN(C(=O)c2ccc(CCF)cc2)CCN1,4.61,4.306140740712483,4.47620253164557,2602,1,0,1.0
OADMET-0005484,O=C(NCc1ccn(C2CCCC2)n1)NC1CCc2ccccc2C1,4.93,4.941346486409505,4.988000000000001,271,4,0,1.0
OADMET-0005483,CCNC(=O)CN(C)C(C(=O)OC)c1ccccc1C(F)(F)F,5.17,4.978188832600911,4.988000000000001,2601,2,0,1.0
OADMET-0005482,CC(NC(=O)NCc1cccc(C2(C)NC(=O)NC2=O)c1)c1nc(-c2cccc(F)c2)no1,4.99,4.8834357261657715,4.821480836236933,2600,3,0,1.0
OADMET-0005481,Cc1cc(CCC(=O)NC2CCC(C)(C)CC2c2ccccc2)on1,4.96,5.45117712020874,5.262840909090909,713,4,0,1.0
OADMET-0005480,CCC(=O)N1CCCN(S(=O)(=O)CC2CCCC(C)C2)CC1,5.11,5.100466887156169,4.9999852507374625,2599,4,1,2.0
OADMET-0005479,Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)nn1)CCC2,4.7,4.414197127024333,4.543097826086957,2598,0,0,1.0
OADMET-0005478,CCC(C)(CC(=O)O)NC(=O)c1c(Cl)c2ccccc2n1C,5.06,4.5921909014383955,4.776467889908257,2597,1,0,1.0
OADMET-0005477,N#Cc1ccc2c(c1)CC(NC(=O)c1cnc(C3CCC3)[nH]c1=O)C2,4.5,4.132403214772542,4.311111111111112,2596,2,0,1.0
OADMET-0005476,COc1cccc(CC(=O)N2CCC(c3ccccc3OC)C2)c1,5.3,5.290051619211833,5.067031249999999,102,2,0,1.0
OADMET-0005475,COc1cc(CCC(=O)N2CCC(Cc3ccccc3)C2)on1,4.85,4.259778340657552,4.355306748466257,9,2,1,2.0
OADMET-0005474,CC1(c2cn(C(C(=O)NC(C(N)=O)c3ccc(Cl)cc3)C(C)(C)C)nn2)CCCO1,5.27,5.14118226369222,4.9999852507374625,2595,3,0,1.0
OADMET-0005473,COc1ccc(Cl)c(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1,4.33,4.258021990458171,4.355306748466257,2594,4,1,2.0
OADMET-0005472,COc1cc(C)ccc1CNC(=O)c1ccc(F)cc1C,4.92,4.699485460917155,4.817948717948719,7,3,1,2.0
OADMET-0005471,CC(C)(C)Nc1cccc(-c2nc(CCc3cnccn3)n(C3CCC3)n2)n1,5.32,4.995498021443685,4.998154761904762,2593,0,0,1.0
OADMET-0005470,O=C1CC(c2nnc(-c3ccc4ccccc4c3)o2)CN1c1c(F)cccc1F,4.23,4.7313259442647295,4.817948717948719,2592,1,0,1.0
OADMET-0005469,CCOc1cccc(CC(=O)N2CCC(c3ccc(F)cn3)CC2)n1,4.87,4.561861038208008,4.682475247524752,269,4,0,1.0
OADMET-0005468,Cc1c(S(=O)(=O)N2CCCC(C)C2C(=O)O)oc2ccc(F)cc12,4.38,4.353763103485107,4.47620253164557,169,0,1,2.0
OADMET-0005467,CCn1c(=O)c(NCc2nnc3ccc(C)cn23)nc2ccccc21,5.22,4.402252197265625,4.543097826086957,645,4,0,1.0
OADMET-0005466,COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2cnc3c(cnn3C)c2)n1,4.43,4.562690416971843,4.682475247524752,2591,2,0,1.0
OADMET-0005465,C[C@H](Nc1cc(-c2ccccc2)nc2ncnn12)c1ccc(Cl)cn1,5.19,4.789338270823161,4.821480836236933,2590,3,0,1.0
OADMET-0005464,CCN(CC(=O)NC)S(=O)(=O)c1cnc(NCC(C)C)c(C(F)(F)F)c1,4.81,5.151683171590169,4.9999852507374625,2589,4,0,1.0
OADMET-0005463,COc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(F)c2)CC1,5.34,4.600789705912272,4.776467889908257,1,2,1,2.0
OADMET-0005462,NC(=O)[C@@H]1CC[C@H](NC(=O)N2CC(c3ccccc3)C3(CCC3)C2)C1,4.86,4.094740867614746,4.164821428571428,2588,0,0,1.0
OADMET-0005461,O=C(CC1CCCCC1)N1CCCS(=O)(=O)CC1c1ccccc1,5.23,5.259271303812663,5.067031249999999,2587,1,1,2.0
OADMET-0005460,CC1c2ccc(F)cc2CCN1C(=O)c1cccc(O)c1,5.15,5.6620761553446455,5.284131355932205,2586,2,0,1.0
OADMET-0005459,O=C(COc1ccc2c(c1)CCCC2)NC1CCCCC1,4.72,4.6513411204020185,4.817948717948719,25,2,1,2.0
OADMET-0005458,C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@H](Nc2ccncc2C#N)C1,4.75,5.068185329437256,4.9999852507374625,2585,3,0,1.0
OADMET-0005457,CCOc1cc(N2CCC(Cc3c[nH]cn3)CC2)nc(C)n1,4.59,3.4128567377726235,3.4971951219512194,2584,4,0,1.0
OADMET-0005456,CC(C)(C)C1(NC(=O)NCc2nc(C(F)F)no2)CCC1,5.22,5.38473908106486,5.234230769230769,2583,0,0,1.0
OADMET-0005455,Cc1nc(N(C)CCN(C)C(=O)CCc2ncc[nH]2)ccc1[N+](=O)[O-],5.09,3.5169867674509683,3.4971951219512194,2582,4,0,1.0
OADMET-0005454,N#CC(CS(=O)(=O)NCCCc1ccccc1)C1CCOCC1,4.69,4.37727419535319,4.477399999999999,2581,3,0,1.0
OADMET-0005453,O=C(NCCc1ccc2c(c1)CCO2)N1CC2(CCC2)C1C1CCOCC1,4.93,5.30128288269043,5.067031249999999,2580,2,0,1.0
OADMET-0005452,O=C(CN(CC1CCCO1)c1nc2ccc(F)cc2o1)N1CCCC1,4.61,4.8840765953063965,4.821480836236933,2579,2,0,1.0
OADMET-0005451,O=C(NS(=O)(=O)CC1CCCCC1)C1CCC(C(F)(F)F)CC1,4.3,4.2229539553324384,4.355306748466257,2578,3,0,1.0
OADMET-0005450,Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC3(CCC3)O2)s1,5.43,5.316576639811198,5.067031249999999,2577,4,0,1.0
OADMET-0005449,CCN(CC)C(=O)c1ccccc1Cn1cc(-c2cnc(F)cc2C)nn1,5.32,5.351789315541585,5.2117424242424235,2576,0,0,1.0
OADMET-0005448,O=C(OCc1cccc(F)c1F)C1CC(O)CN1C(=O)c1ccc2ccccc2c1,5.31,4.637532075246175,4.776467889908257,2575,1,0,1.0
OADMET-0005447,COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3)CC2)ccc1Cl,5.07,4.27962859471639,4.355306748466257,480,0,1,2.0
OADMET-0005446,Cc1cccc(C)c1-n1cc(CNC(=O)C(F)(F)F)nn1,5.24,5.789306004842122,5.284131355932205,2574,2,0,1.0
OADMET-0005445,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1,4.5,4.090685208638509,4.164821428571428,733,3,1,2.0
OADMET-0005444,Cn1nc2c(c1S(=O)(=O)Nc1ccc(F)c(O)c1F)CCCC2,4.57,4.630389213562012,4.776467889908257,2573,3,0,1.0
OADMET-0005443,O=C(NC1CCS(=O)(=O)C1)NC1(Cc2ccc(Br)cc2)CCCCC1,5.61,5.213701407114665,5.026367187500001,2572,4,0,1.0
OADMET-0005442,O=C(NCc1cncc(O)c1)[C@H]1CCCC[C@H]1c1ccccc1,5.03,4.814662615458171,4.821480836236933,438,4,1,2.0
OADMET-0005441,Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1,4.56,4.9207282066345215,4.888,247,3,0,1.0
OADMET-0005440,CS(=O)(=O)c1ccc(Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1,5.01,5.000089804331462,4.998154761904762,2571,0,0,1.0
OADMET-0005439,CSC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1,4.46,4.892069339752197,4.821480836236933,2570,1,0,1.0
OADMET-0005438,Cc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1,4.63,5.067228317260742,4.9999852507374625,126,2,0,1.0
OADMET-0005437,COC(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)n1C,5.16,5.052452405293782,4.9999852507374625,670,3,0,1.0
OADMET-0005436,Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1noc2c1CCCC2,4.58,5.276913166046143,5.067031249999999,2569,1,0,1.0
OADMET-0005435,O=C1N(CCc2c[nH]c3c(Cl)cccc23)C(=O)C23CC(CN12)C3,5.18,5.458731333414714,5.262840909090909,2568,3,0,1.0
OADMET-0005434,CSC1(CNC(=O)C2COc3cc(F)ccc3C2)CCC1,5.01,4.62653128306071,4.776467889908257,2567,4,0,1.0
OADMET-0005433,CC(C)Cn1cc(C(=O)NCC2CCCC(C)(C)O2)cn1,4.78,4.9557929039001465,4.988000000000001,313,3,0,1.0
OADMET-0005432,Cc1c(C(=O)NCC2CCCC(C)(C)O2)nnn1C(C)C,5.48,4.937236309051514,4.888,313,3,0,1.0
OADMET-0005431,CC1CCCCN1C(=O)c1ccc(NCc2cc(=O)n(C)c(=O)n2C)cc1Cl,5.04,5.027795950571696,4.9999852507374625,2566,0,0,1.0
OADMET-0005430,O=C(NC1(c2ncccn2)CCOCC1)c1cc2c(s1)CCC2,4.75,5.041445096333821,4.9999852507374625,732,2,0,1.0
OADMET-0005429,CC(C)C(NS(=O)(=O)C1CCOC1)c1ccc(F)cc1F,4.97,4.840749422709147,4.821480836236933,2565,1,0,1.0
OADMET-0005428,CNC(=O)C1Cc2ccccc2N1C(=O)c1cccc(OCC(F)(F)F)n1,5.0,4.843963781992595,4.821480836236933,259,3,0,1.0
OADMET-0005427,COc1ccc(CC(=O)N2CC(C(N)=O)Cc3ccccc32)c(C)c1,4.7,4.51349417368571,4.59815,2564,2,0,1.0
OADMET-0005426,O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCC(O)(c2ccc(F)cc2)C1,5.16,5.137229760487874,4.9999852507374625,2563,3,0,1.0
OADMET-0005425,Cc1nc(C(=O)NC2CC(F)(F)C2)nn1-c1ccccc1C(C)C,5.88,5.418193817138672,5.262777777777777,2562,4,0,1.0
OADMET-0005424,Cc1ccc2oc(-c3noc([C@]45CNC[C@H]4CCOC5)n3)cc2c1,3.9,4.200991630554199,4.355306748466257,2561,0,0,1.0
OADMET-0005423,Cc1cnc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1C,5.19,4.368741035461426,4.477399999999999,41,4,0,1.0
OADMET-0005422,CC(C)Cc1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1,4.86,4.523660659790039,4.59815,41,4,0,1.0
OADMET-0005421,Cc1noc(CCNC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)n1,4.68,4.578853925069173,4.682475247524752,2560,1,0,1.0
OADMET-0005420,O=C(NCc1ccc2ncccc2c1)C1(S(=O)(=O)c2ccccc2)CCCCC1,5.25,4.936903476715088,4.888,278,1,1,2.0
OADMET-0005419,Cn1nc(C(=O)NC2CCCOc3c(F)cccc32)cc1C(F)F,5.38,4.754220008850098,4.817948717948719,698,4,0,1.0
OADMET-0005418,CN(C(=O)c1cc2c(C(F)F)nn(C)c2s1)C1CCCc2c1cnn2C,4.84,4.607985496520996,4.776467889908257,2559,0,0,1.0
OADMET-0005417,Cc1cc(NC(=O)CN(C)c2ccc(F)c(Cl)c2)n(C2CCS(=O)(=O)C2)n1,4.88,4.69851016998291,4.817948717948719,324,4,0,1.0
OADMET-0005416,CC1(C)CN(C(CNC(=O)c2cnn3cccnc23)c2ccc(Cl)cc2)CCO1,5.28,4.868346532185872,4.821480836236933,100,2,0,1.0
OADMET-0005415,O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC(c2ccco2)C1,4.79,4.903092861175537,4.834642319277108,2558,1,0,1.0
OADMET-0005414,CC(C)(CNC(=O)c1cnc2cc[nH]c2c1)C1CCOCC1,4.42,3.8663383324941,3.916360294117648,566,0,0,1.0
OADMET-0005413,Cn1nc(-c2ccco2)cc1NC(=O)NC(c1ccccn1)C1CC1,4.22,5.0509616533915205,4.9999852507374625,731,3,0,1.0
OADMET-0005412,O=C(NC1COc2cc(F)cc(F)c21)c1ccccc1OC(F)F,4.89,5.714122295379639,5.284131355932205,2557,2,0,1.0
OADMET-0005411,Cn1nncc1S(=O)(=O)NCC1CCCc2ccccc21,4.91,5.3074445724487305,5.067031249999999,2556,0,0,1.0
OADMET-0005410,O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccnc(NC(=O)C2CC2)c1,5.15,4.506950219472249,4.59815,571,0,0,1.0
OADMET-0005409,O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCCCCO1,4.89,4.865362008412679,4.821480836236933,2555,2,0,1.0
OADMET-0005408,CCn1cc(CS(=O)(=O)Cc2nc3c(s2)CC(C)(C)CC3)nn1,5.82,4.985650221506755,4.998154761904762,2554,3,0,1.0
OADMET-0005407,O=C(NC1CCCN(c2cccc(F)c2)C1)c1ccnn1C1CCC1,5.17,4.8553140958150225,4.821480836236933,100,2,0,1.0
OADMET-0005406,CC1=C(C)CN(C(=O)NCC(=O)N2CCc3ccccc32)CC1,4.69,5.538515567779541,5.284131355932205,2553,4,0,1.0
OADMET-0005405,Cc1ccc(-c2ccc(C)c(NC(=O)[C@@H]3CCOC3)c2)o1,4.56,4.581466356913249,4.682475247524752,2552,0,0,1.0
OADMET-0005404,O=C1NC2(CCCC2)C(=O)N1CCc1nc(C2(c3ccccc3)CCC2)no1,5.31,5.485571225484212,5.284131355932205,2551,1,0,1.0
OADMET-0005403,CCC1(CC)CNC(=O)C1NC(=O)c1n[nH]c2c1CCC2,4.98,5.128279209136963,4.9999852507374625,279,3,0,1.0
OADMET-0005402,CC(Oc1ccc(Br)cc1)C(=O)NC1CCCCC1CO,5.1,4.847855885823567,4.821480836236933,2550,2,0,1.0
OADMET-0005401,O=C(N1CCCC(n2ccnn2)C1)C1(C(F)(F)F)CCCC1,4.15,4.854575951894124,4.821480836236933,39,2,0,1.0
OADMET-0005400,Cn1cc([C@H]2[C@H](CNc3ccc(OC(F)F)cn3)CC(=O)N2C(C)(C)C)cn1,4.83,4.538041909535726,4.682475247524752,562,2,0,1.0
OADMET-0005399,CC(NS(=O)(=O)c1cnn(C)c1)c1nc(C(C)(C)C)cs1,4.98,5.421949068705241,5.262777777777777,2549,3,0,1.0
OADMET-0005398,O=C(Cc1ccc2cn[nH]c2c1)NC1CC1c1ccccc1Cl,4.93,5.410451889038086,5.2508333333333335,2548,4,0,1.0
OADMET-0005397,CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(F)c1,4.53,4.764942804972331,4.817948717948719,2547,0,1,2.0
OADMET-0005396,NC(=O)C1CC(C(=O)N2CCc3ccc(F)cc32)=NN1c1ccc(F)cc1,4.29,4.809555371602376,4.821480836236933,2546,1,0,1.0
OADMET-0005395,Cc1nc(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cn1C,4.2,4.656582037607829,4.817948717948719,2545,2,0,1.0
OADMET-0005394,CC1C(c2ccccc2)CCN1C(=O)c1ccc(NS(C)(=O)=O)cc1,5.26,5.225062370300293,5.026367187500001,730,2,0,1.0
OADMET-0005393,Cc1[nH]ccc1C(=O)NC(c1ccccc1)c1nccs1,4.4,4.666639804840088,4.817948717948719,694,1,0,1.0
OADMET-0005392,CN1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc23)CC12CCOC2,4.43,4.256971518198649,4.355306748466257,2544,3,0,1.0
OADMET-0005391,COc1ccc(NC(=O)N2Cc3ccccc3NC(=O)C2C)c(C)n1,4.54,4.10442320505778,4.164821428571428,2543,4,0,1.0
OADMET-0005390,O=C(NCc1cc[nH]n1)N1CCc2cc(-c3cccc(F)c3)ccc21,3.34,4.670792102813721,4.817948717948719,2542,0,0,1.0
OADMET-0005389,O=C(Cn1ncc2ncccc21)N(Cc1ccccc1F)C1CC1,4.87,4.858951886494954,4.821480836236933,2541,1,0,1.0
OADMET-0005388,O=C(NC(CN1CCCC1=O)c1ccccc1)c1cccc2[nH]cnc12,6.06,4.690632184346517,4.817948717948719,729,4,1,2.0
OADMET-0005387,COc1cnc(C(=O)NCC(NC(=O)OC(C)(C)C)C2CC2)c(F)c1,4.79,5.306483268737793,5.067031249999999,2540,2,0,1.0
OADMET-0005386,CNC(=O)CN1CCC(c2ccccc2)c2ccccc21,4.88,4.458661079406738,4.5774358974358975,2539,3,0,1.0
OADMET-0005385,CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cnn3ccncc23)cc1,4.57,4.5920999844868975,4.758571428571429,2538,4,0,1.0
OADMET-0005384,Cc1noc(CC(NC(=O)Cc2cccc(N3CCCC3=O)c2)c2ccccc2)n1,4.62,4.915361563364665,4.860652173913044,2537,0,1,2.0
OADMET-0005383,CC(CC(=O)NC1CCC2(CC1)N=N2)c1ccc(F)cc1,4.18,4.842771053314209,4.821480836236933,127,4,0,1.0
OADMET-0005382,Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)nnn1C,4.74,5.152465343475342,4.9999852507374625,2536,1,0,1.0
OADMET-0005381,COc1cccc(C2(C(=O)NCCn3cnc4ccccc43)CC2)c1,4.59,5.047339757283528,4.9999852507374625,2535,4,0,1.0
OADMET-0005380,Cc1c(NC(=O)C(F)C(F)(F)F)c(=O)n(C2CCCCC2)n1C,4.16,4.845947742462158,4.821480836236933,2534,3,0,1.0
OADMET-0005379,CS(=O)(=O)c1ccc2nc(NC(=O)C3CCN(c4ccccc4F)C3)sc2c1,4.34,4.173048337300618,4.355306748466257,97,0,0,1.0
OADMET-0005378,O=C(NC(c1cc(F)ccc1F)C(F)F)c1nc2cnccc2s1,4.89,4.7308322588602705,4.817948717948719,2533,3,0,1.0
OADMET-0005377,Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCN4C(=O)NCC4C3)c2c1,4.91,5.240399360656738,5.026367187500001,2532,4,0,1.0
OADMET-0005376,Cn1ccc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)cc1=O,4.8,5.560694535573323,5.284131355932205,2531,0,1,2.0
OADMET-0005375,CCCc1noc2nc(-c3ccco3)cc(C(=O)NCCNC(=O)c3ccc(O)cc3)c12,4.53,4.3360335032145185,4.47620253164557,2530,1,0,1.0
OADMET-0005374,Cc1ccccc1NC(=O)NC(C)C1(O)CN(C(=O)OC(C)(C)C)C1,4.68,4.562777996063232,4.682475247524752,2529,2,0,1.0
OADMET-0005373,COc1ccnc(N2Cc3ccccc3OC3(CCOCC3)C2)n1,5.19,4.712572415669759,4.817948717948719,2528,3,0,1.0
OADMET-0005372,Cc1cc(NS(=O)(=O)CCc2cccc(F)c2)cnc1C,5.23,5.09012238184611,4.9999852507374625,273,2,0,1.0
OADMET-0005371,Cc1nc(-c2cccs2)sc1C(=O)N1CCCC(N2CCNC2=O)C1,4.69,3.909782807032267,3.916360294117648,728,0,0,1.0
OADMET-0005370,NC(=O)c1cc(NC(=O)c2csc(C3CCCCC3)c2)c[nH]1,4.5,4.8268178304036455,4.821480836236933,2527,4,0,1.0
OADMET-0005369,CCOc1ccc(-c2cn(CCC3CCCO3)nn2)cc1,4.15,4.489989280700684,4.59815,2526,0,0,1.0
OADMET-0005368,CC(NC(=O)CNC(=O)C1c2ccccc2C(=O)N1C1CC1)c1ccccc1,3.98,4.768804709116618,4.821480836236933,2525,1,0,1.0
OADMET-0005367,CN(C(=O)c1cc(O)n(C)n1)c1ccc(OCc2ccccc2)cc1,4.75,3.874464829762777,3.916360294117648,95,1,0,1.0
OADMET-0005366,NC(=O)c1cc(N2CCCC2c2ccc(Cl)cc2)ncn1,4.83,5.267845789591472,5.067031249999999,2524,2,1,2.0
OADMET-0005365,CCCN(C)c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC,4.9,4.800007979075114,4.821480836236933,2523,3,0,1.0
OADMET-0005364,CC(=O)Nc1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1,4.62,4.499773343404134,4.59815,2522,4,1,2.0
OADMET-0005363,CC(C)Oc1cc(NC(=O)NCc2noc3c2COCC3)ccn1,4.84,4.559878508249919,4.682475247524752,2521,0,0,1.0
OADMET-0005362,Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)c3ccccc3n2)o1,4.58,4.584741592407227,4.682475247524752,50,2,0,1.0
OADMET-0005361,CN(C)S(=O)(=O)N1CCCC(NC(=O)c2ccc(Cl)cc2)C1,5.11,4.470866521199544,4.59815,196,3,1,2.0
OADMET-0005360,CN(C)c1nc2cc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCC4)c3)ccc2[nH]1,3.98,4.826135794321696,4.821480836236933,161,2,1,2.0
OADMET-0005359,O=C1NC(=O)C2(CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)N1,4.47,4.609766483306885,4.776467889908257,2520,1,0,1.0
OADMET-0005358,COCCN1CCN(c2cc(C(F)F)nc3ccc(Cl)cc23)CC1=O,4.43,4.076642831166585,4.092280701754386,2519,2,0,1.0
OADMET-0005357,Cc1nnccc1NC(=O)NCc1nc(C(C)(C)C)co1,4.78,4.566176255544026,4.682475247524752,281,1,0,1.0
OADMET-0005356,CCn1cnc2c1CCN(C(=O)Nc1cnc(-c3ccccc3)nc1)C2,4.72,3.914128224054972,3.916360294117648,2518,3,0,1.0
OADMET-0005355,CC(C)C1(C(=O)[O-])CC1C(=O)NC(C)(C)Cc1ccc(C#N)cc1,4.41,4.64665428797404,4.817948717948719,2517,4,0,1.0
OADMET-0005354,O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccnn1-c1ccccc1,4.45,4.519234816233317,4.59815,590,2,1,2.0
OADMET-0005353,CC(C(=O)NS(=O)(=O)C1CCc2ccccc21)n1ccc(C(F)(F)F)n1,4.26,5.029804070790608,4.9999852507374625,2516,0,0,1.0
OADMET-0005352,O=C(CCS(=O)(=O)c1cccc(Br)c1)Nc1ncn(Cc2cccc(F)c2)n1,5.17,5.238219420115153,5.026367187500001,2515,1,0,1.0
OADMET-0005351,CC1(C2CC2)COCCN1Cc1nnc(-c2cccc(O)c2)o1,4.41,4.552453835805257,4.682475247524752,2514,2,0,1.0
OADMET-0005350,N#Cc1cccc(CC(=O)NCCNc2ccc3ccccc3n2)c1,4.71,4.865315278371175,4.821480836236933,2513,2,0,1.0
OADMET-0005349,CC(C)c1nccn1CC(=O)N1Cc2ncccc2N2CCC[C@H]2C1,4.8,4.520559151967366,4.59815,165,4,0,1.0
OADMET-0005348,O=C(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(NCC2CC2)nc1,4.5,4.823891480763753,4.821480836236933,14,1,1,2.0
OADMET-0005347,Cc1[nH]c2ncnn2c(=O)c1CCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1,4.51,4.33814795811971,4.47620253164557,600,0,0,1.0
OADMET-0005346,COc1ccccc1C(=O)NCC(=O)NC1CCN(c2ccccc2OC)CC1,4.51,4.776366074879964,4.821480836236933,7,3,0,1.0
OADMET-0005345,CC(C)n1ccc2cc(C(=O)NC3CCOC(C)(C)C3)ccc21,4.87,5.089537938435872,4.9999852507374625,2512,0,0,1.0
OADMET-0005344,O=C1CN(C(=O)CCC(=O)N2CCC2c2ccccc2)c2ccccc2N1,5.04,5.3757500648498535,5.2117424242424235,726,1,1,2.0
OADMET-0005343,Cc1ccccc1-c1nnsc1C(=O)N[C@H]1CCCC(F)(F)[C@@H]1O,3.98,4.337038358052571,4.47620253164557,707,3,0,1.0
OADMET-0005342,O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)N1CCC2(COC2)C1,5.2,5.59944216410319,5.284131355932205,2511,4,0,1.0
OADMET-0005341,CN(C)c1cccc(CNC(=O)C2CN(C(=O)C3CCCCC3)C2)n1,4.33,4.315324624379476,4.47620253164557,310,4,0,1.0
OADMET-0005340,Cc1ccc(-c2cncc(C(=O)NCc3cscn3)c2)cc1,4.22,3.22321089108785,3.0979268292682924,2510,3,1,2.0
OADMET-0005339,COCC(c1ccc(F)cc1)N(C)c1nc2nccnc2s1,4.44,5.1056389808654785,4.9999852507374625,2509,2,0,1.0
OADMET-0005338,CN(CC(=O)N1CC=CC(NC(=O)C2Cc3cc(F)ccc3O2)C1)C(=O)c1cccs1,5.06,4.097031672795613,4.164821428571428,2508,3,0,1.0
OADMET-0005337,O=C(NC1(C2CCSCC2)CC1)c1cncc(-c2ccccn2)c1,4.87,4.71543820699056,4.817948717948719,2507,4,1,2.0
OADMET-0005336,CCOC(C)c1nc(-c2cn(C)nc2C)n(-c2ccc(C(C)C)cc2)n1,4.75,5.0396043459574384,4.9999852507374625,2506,0,0,1.0
OADMET-0005335,Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(=O)Cc3ccc(C)cc3)cc2)cc1,4.35,4.0029488404591875,4.043714285714285,168,1,0,1.0
OADMET-0005334,O=C(c1cc(-c2ccccn2)ns1)N1CCCC(c2cc(O)cc(F)c2)C1,4.47,5.065814971923828,4.9999852507374625,2505,1,0,1.0
OADMET-0005333,COC(CNS(=O)(=O)CCOC1CCC1)c1cccc(F)c1,5.27,4.955855051676433,4.988000000000001,2504,2,1,2.0
OADMET-0005332,Cc1c(Cc2ccc3c(c2)OCO3)sc2nc(-c3cccnc3)[nH]c(=O)c12,4.98,4.711556275685628,4.817948717948719,2503,3,0,1.0
OADMET-0005331,CCOc1cccc(NC(=O)N2CCN(C3CC3)C(C(N)=O)C2)c1,4.46,3.662945588429769,3.6602857142857137,2502,4,0,1.0
OADMET-0005330,CC(c1ccsc1)N1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1,4.21,3.9544830322265625,4.0285714285714285,2501,0,0,1.0
OADMET-0005329,Cc1cc(CC(C)NC(=O)NC2COc3c2ccc(C)c3C)n[nH]1,4.62,5.499571800231934,5.284131355932205,2500,1,0,1.0
OADMET-0005328,Cc1cccc(Cn2nccc2NC(=O)c2cnc3snc(C)c3c2)c1,4.74,4.806852022806804,4.821480836236933,720,0,0,1.0
OADMET-0005327,Cn1cncc1C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1CCO,4.4,4.121974150339763,4.164821428571428,2499,2,0,1.0
OADMET-0005326,Cc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)C1(C(F)(F)F)CC1,4.4,4.960624059041341,4.988000000000001,498,3,0,1.0
OADMET-0005325,NS(=O)(=O)c1sccc1CNC1Cc2ccc(Cl)cc2C1,5.14,4.962797164916992,4.988000000000001,2498,3,0,1.0
OADMET-0005324,CCC1(Cn2cc(-c3cccc(C(F)(F)F)n3)nn2)COC1,4.08,4.850186189015706,4.821480836236933,2497,4,0,1.0
OADMET-0005323,Cc1cc(CNc2ccc(Cl)c(C#N)n2)nc(N2CCCC2)n1,5.02,5.353553771972656,5.2117424242424235,2496,0,0,1.0
OADMET-0005322,Cn1c(C2C(C3CC3)CCN2c2nccc(C#N)c2Cl)n[nH]c1=O,4.88,4.9377678235371905,4.888,2495,1,0,1.0
OADMET-0005321,CNCCCC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1,4.29,3.174563407897949,3.0979268292682924,2494,2,0,1.0
OADMET-0005320,CC(NC(=O)C1(C)Cc2ccccc2N1)c1ccc2[nH]c(=O)oc2c1,4.54,5.013697783152263,4.998154761904762,2493,3,0,1.0
OADMET-0005319,COc1ccccc1C(C)NC(=O)CN1CCCC1Cn1cncn1,5.04,4.681613445281982,4.817948717948719,727,1,0,1.0
OADMET-0005318,OC1(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCCC1,4.42,4.238653341929118,4.355306748466257,648,3,0,1.0
OADMET-0005317,CCC(C)Cc1nc(-c2cn(CCCF)nn2)n(-c2cccc(NC(C)=O)c2)n1,5.34,4.69235372543335,4.817948717948719,2492,4,0,1.0
OADMET-0005316,Cc1cc(C)cc(OCc2nnc(N3CCc4ccc(O)cc4C3)n2Cc2cccs2)c1,5.07,5.107402483622233,4.9999852507374625,2491,0,0,1.0
OADMET-0005315,O=C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c2cnccc2N1,4.77,4.645595232645671,4.817948717948719,608,4,0,1.0
OADMET-0005314,COC(=O)c1cc(-c2ccoc2)n(CC2CCCCO2)n1,4.34,4.848945299784343,4.821480836236933,2490,1,0,1.0
OADMET-0005313,CC(C)(C)O[C@H]1C[C@H](n2cc(C(C)(O)Cc3ccccc3)nn2)C1,5.06,4.864782651265462,4.821480836236933,504,3,0,1.0
OADMET-0005312,C[C@H](c1ccccn1)n1cc(-c2ccn(CC(F)(F)F)n2)nn1,4.57,4.591064453125,4.758571428571429,2489,0,0,1.0
OADMET-0005311,O=C(NCc1nc2c(s1)CCCC2)C1COc2ccc(O)cc2O1,4.7,4.596086819966634,4.776467889908257,2488,4,0,1.0
OADMET-0005310,CC(C)Oc1ccc(-c2cn(C3CCc4cccnc43)nn2)cn1,5.14,5.06494681040446,4.9999852507374625,2487,3,0,1.0
OADMET-0005309,Cc1c(NC(=O)c2cc(Cl)cn2C)cnn1C1CCCC1,4.64,4.301986376444499,4.47620253164557,2486,3,0,1.0
OADMET-0005308,Cc1oc(C(C)(C)C)cc1C(=O)N1CCc2c(ncn2C)C1,4.49,5.347722848256429,5.2117424242424235,569,2,0,1.0
OADMET-0005307,O=S(=O)(Cc1ccc(F)cc1)N1CCCC1c1cccnc1,4.55,5.075211524963379,4.9999852507374625,2485,4,1,2.0
OADMET-0005306,O=C1Cc2cc(CCCC(=O)N3CCC3c3ccc(F)c(F)c3)ccc2N1,5.16,5.335105101267497,5.2117424242424235,726,1,0,1.0
OADMET-0005305,CCC(C)NC(=O)C(C)Sc1nnc(-c2ccc(OC)cc2)n1CC1CCCO1,4.64,5.09407393137614,4.9999852507374625,2484,0,0,1.0
OADMET-0005304,Fc1cccc2c1CC[C@@H]2n1cc(C2CCCNC2)nn1,4.6,5.404309431711833,5.234230769230769,2483,1,0,1.0
OADMET-0005303,Cc1cccc(Cl)c1S(=O)(=O)N1CC(N2CCNC2=O)C1,4.98,4.686180114746094,4.817948717948719,2482,2,0,1.0
OADMET-0005302,Cc1ccc(-c2csc(NC(=O)c3nn(C)cc3Cl)n2)c(C)c1,4.96,4.7082235018412275,4.817948717948719,514,0,1,2.0
OADMET-0005301,Cc1c(C(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)C(C)C2)[nH]c(=O)c2ccccc12,4.68,4.747665564219157,4.817948717948719,2481,3,0,1.0
OADMET-0005300,CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2nc(C)cs2)CC1,4.38,5.087005615234375,4.9999852507374625,725,0,0,1.0
OADMET-0005299,CC(C)(C)CCNC(=O)N1C[C@H]2CCC[C@@]2(c2nnc(C3CC3)o2)C1,4.56,5.195361773173015,5.026367187500001,2480,4,0,1.0
OADMET-0005298,CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncnc3ccccc23)C1,4.26,3.066528558731079,2.9914062500000007,2479,0,0,1.0
OADMET-0005297,O=C(N1C[C@H]2CCS(=O)(=O)[C@H]2C1)C1(c2cccc(F)c2)CC1,5.23,5.260539690653483,5.067031249999999,2478,1,0,1.0
OADMET-0005296,O=C(NC(c1ccc(F)c(Cl)c1)C1CC1)c1nc2ncccn2n1,4.43,5.405410289764404,5.234230769230769,724,4,0,1.0
OADMET-0005295,COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)cc1,5.27,4.070437908172607,4.092280701754386,23,3,1,2.0
OADMET-0005294,Cc1ncc(C(=O)N(CC2CCCCC2)c2ccccn2)c(C)n1,4.97,4.2909189860026045,4.355306748466257,723,2,1,2.0
OADMET-0005293,CC(NC(=O)[C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1F,4.6,4.447200616200765,4.5774358974358975,2477,2,0,1.0
OADMET-0005292,COc1cccc(C(O)CNC(=O)COc2ccc3ccccc3c2)c1,4.39,4.775415897369385,4.821480836236933,30,1,1,2.0
OADMET-0005291,CCCN(Cc1cc(F)ccc1F)C(=O)c1ccc2ncn(C)c(=O)c2c1,4.65,4.733903249104817,4.817948717948719,2476,2,0,1.0
OADMET-0005290,COc1cccc(C2CCN(C(=O)Cc3cc(C)on3)CC2)c1,5.16,4.4887189865112305,4.59815,102,2,0,1.0
OADMET-0005289,Cc1cc(C)n(CCCC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1,5.12,4.737296899159749,4.817948717948719,274,3,0,1.0
OADMET-0005288,Cc1nc2ccccn2c1CNC(=O)c1c(-c2ccccc2Cl)noc1C,4.53,4.323348204294841,4.47620253164557,29,0,0,1.0
OADMET-0005287,Cc1cccn2cc(C(=O)Nc3c4c(nn3C)CCCC4)cc12,4.73,4.489086786905925,4.59815,2475,4,0,1.0
OADMET-0005286,O=C(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)C1CC12CCS(=O)(=O)CC2,3.26,4.765517552693685,4.817948717948719,286,2,1,2.0
OADMET-0005285,CC(C)Cn1ncc2cc(C(=O)NCC[C@H]3CCCC[C@H]3O)cnc21,4.79,5.19755744934082,5.026367187500001,270,2,0,1.0
OADMET-0005284,CN1CCOC(CN(CC2CC2)S(=O)(=O)c2ccc3c(c2)CCCO3)C1,4.93,5.383393446604411,5.234230769230769,549,2,0,1.0
OADMET-0005283,CSCc1ccccc1NC(=O)CN(C)[C@@H]1CCC[C@H]1O,4.46,4.92324686050415,4.888,722,3,1,2.0
OADMET-0005282,Cc1ccc(Cl)cc1NC(=O)C(C)N1CCOC2(CCOC2C)C1,4.54,4.863786856333415,4.821480836236933,2474,0,0,1.0
OADMET-0005281,Cn1nc(C(=O)N2CCc3ccccc3C2CO)cc1C(F)F,4.42,4.828105926513672,4.821480836236933,545,4,0,1.0
OADMET-0005280,CC(C)C1c2ccccc2CCN1c1ncc(C#N)cc1F,5.02,5.545238812764485,5.284131355932205,543,3,0,1.0
OADMET-0005279,CC(C)(C)OCc1cccc(NC(=O)c2cnn3ncccc23)c1,5.39,5.25236972173055,5.067031249999999,2473,1,0,1.0
OADMET-0005278,Cc1cc(=O)[nH]cc1C(=O)NC1(c2ccc(Cl)cc2)CCCCC1,4.78,5.207181294759114,5.026367187500001,2472,2,0,1.0
OADMET-0005277,Cc1cccc(CC2(O)CCN(C(=O)c3cn4ccccc4n3)CC2)c1,4.38,4.248647212982178,4.355306748466257,160,3,0,1.0
OADMET-0005276,Cn1nc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1C1CC1,4.92,5.386198997497559,5.234230769230769,706,4,0,1.0
OADMET-0005275,Cc1ccccc1C(C)C(=O)NCc1nccc(C(F)(F)F)n1,4.43,4.566356817881267,4.682475247524752,528,1,0,1.0
OADMET-0005274,COc1ccccc1-c1ccc(C(C)NC(=O)C2(C(=O)O)CC2)cc1,4.26,4.037757635116577,4.092280701754386,2471,3,0,1.0
OADMET-0005273,CCc1noc(C)c1NC(=O)N1CCC(c2cc(C)ccc2C)CC1,4.13,4.878111998240153,4.821480836236933,2470,4,0,1.0
OADMET-0005272,COc1ccc2c(c1)C(C(=O)Nc1nccnc1C(C)C)CC2,4.3,4.814481894175212,4.821480836236933,166,3,1,2.0
OADMET-0005271,COc1cc(C(=O)N2CCC(OC(C)C)CC2)c2ccccc2n1,4.45,5.282883803049724,5.067031249999999,143,4,0,1.0
OADMET-0005270,Cc1ccc(OCCC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1C,4.28,4.077293157577515,4.092280701754386,2469,0,1,2.0
OADMET-0005269,COc1cccc(C(=O)Nc2nnc3n2CCCC3)c1O,4.58,3.584124803543091,3.571791044776119,2468,1,0,1.0
OADMET-0005268,COc1cc(F)c(NC(=O)C2CCCN2C(=O)c2ccccc2O)cc1F,4.73,4.045523007710774,4.092280701754386,167,2,0,1.0
OADMET-0005267,CCO[C@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1,4.24,4.672800064086914,4.817948717948719,102,2,0,1.0
OADMET-0005266,CC1OCCC1(C)NC(=O)c1ccc(-c2ccccc2F)o1,5.09,5.089486598968506,4.9999852507374625,2467,2,0,1.0
OADMET-0005265,COc1ccc2c(c1)C(Nc1nccc3nccnc13)CCC2,5.0,4.691006342569987,4.817948717948719,166,3,0,1.0
OADMET-0005264,C=C[C@@H]1OCC[C@H]1NC(=O)c1cnn(CC(C)C)c1C(F)F,4.75,4.912652492523193,4.860652173913044,2466,1,0,1.0
OADMET-0005263,COc1ccc(CC(=O)N2CCCC2c2ccc(OC)cn2)cc1,5.08,4.594378312428792,4.776467889908257,2465,3,0,1.0
OADMET-0005262,CC1(O)CCCN(C(=O)c2ccc3c(c2)C(C)(C)CO3)C1,4.24,4.8671501477559405,4.821480836236933,2464,2,0,1.0
OADMET-0005261,Cn1c(C2COc3ccccc3O2)nnc1N1CCOC2(CCCCCC2)C1,5.05,5.131625493367513,4.9999852507374625,657,2,0,1.0
OADMET-0005260,Cc1ccc(-c2noc(C3CC34CCOC4)n2)cc1N1CCCC1,4.55,4.693816979726155,4.817948717948719,2463,0,1,2.0
OADMET-0005259,COC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1OC,4.38,5.1029052734375,4.9999852507374625,177,4,0,1.0
OADMET-0005258,NC(=O)c1ccc(OCC(=O)N2CCCC2Cc2ccccc2)cc1,4.36,4.591461340586345,4.758571428571429,25,2,1,2.0
OADMET-0005257,CCc1ccc(-c2noc(C(C)NS(=O)(=O)Cc3ccccc3)n2)cc1,5.46,4.738598028818767,4.817948717948719,184,1,1,2.0
OADMET-0005256,Cc1cnn(CC2CN(C(=O)NC(C)c3ccc(C)c(F)c3)CCO2)c1,4.93,4.653971989949544,4.817948717948719,174,2,0,1.0
OADMET-0005255,O=C(Cc1ccccc1F)N1CCN(C(=O)c2cccc3c2CCC3)CC1,5.3,4.439288934071858,4.543097826086957,104,1,1,2.0
OADMET-0005254,CC(CNc1nccc(C(F)(F)F)n1)CN1CCOCC1,4.04,3.9886156717936196,4.031000000000001,2462,4,0,1.0
OADMET-0005253,CC[C@H](C)[C@H](NCc1ccc(Br)c2cccnc12)C(=O)O,4.51,4.585180282592773,4.682475247524752,2461,0,0,1.0
OADMET-0005252,CCC(Oc1ccccc1F)C(=O)NC1(c2ncon2)CCC1,4.86,5.281552632649739,5.067031249999999,2460,1,0,1.0
OADMET-0005251,O=C(Cc1cn2ccccc2n1)N1CC[C@H]2CC[C@]21c1cccnc1,4.53,4.53438933690389,4.682475247524752,2459,2,1,2.0
OADMET-0005250,CCn1nncc1CNC(=O)C(OC)c1ccccc1C(F)(F)F,4.35,4.8952681223551435,4.834642319277108,2458,3,0,1.0
OADMET-0005249,O=C(Cc1cccc(C(F)(F)F)n1)N1CCCC(n2ccnn2)C1,4.7,4.893805503845215,4.834642319277108,39,2,0,1.0
OADMET-0005248,CC(NC(=O)C(=O)NC1CCCc2c1cnn2C)c1cccc(NC(=O)c2ccccc2)c1,4.53,4.530603090922038,4.619999999999999,2457,4,1,2.0
OADMET-0005247,COc1ccc([C@@H](C)NC(=O)c2cn3c(n2)COCC3)cc1C,4.72,4.399470965067546,4.543097826086957,2456,0,0,1.0
OADMET-0005246,O=C(Cc1coc2c(F)c(F)ccc12)N[C@H]1CCC[C@H]1n1ccnc1,4.81,5.330923239390056,5.16875,2455,1,0,1.0
OADMET-0005245,CN(CC(=O)NCCc1cn(C)c2ccccc12)[C@@H]1CCC[C@H]1O,5.01,4.330127239227295,4.47620253164557,722,3,0,1.0
OADMET-0005244,CCOC(=O)c1ccc(N2CCc3ccccc3C2C)nc1,4.81,5.672916889190674,5.284131355932205,2454,2,0,1.0
OADMET-0005243,CN1C(=O)CN(C(=O)c2cnn(C3CCC3)c2)c2ccccc21,3.98,4.541989644368489,4.682475247524752,721,3,0,1.0
OADMET-0005242,COc1ccc(C(=O)NCC2(C)CCCCO2)cc1-n1cnnn1,4.46,4.134068330128987,4.311111111111112,2453,3,0,1.0
OADMET-0005241,O=C1NCCCN(C(=O)c2cc3cccn3cn2)C1Cc1ccccc1,4.3,4.709372838338216,4.817948717948719,101,1,0,1.0
OADMET-0005240,CC(C(=O)Nc1ccc2c(c1)OCO2)N1CC(C)(C)OC2(CCOC2)C1,4.24,5.215106964111328,5.026367187500001,2452,4,0,1.0
OADMET-0005239,CC1(C)C(c2cc(NC(=O)c3cc4n(n3)CCCO4)[nH]n2)C1(C)C,5.15,4.811418851216634,4.821480836236933,2451,0,0,1.0
OADMET-0005238,CCN(CC)C(CNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccco1,4.73,5.434205214182536,5.262840909090909,2450,1,0,1.0
OADMET-0005237,O=C(Cn1cnccc1=O)N(C1CCCCC1)C1CCCCC1,4.47,4.110817591349284,4.164821428571428,2449,2,0,1.0
OADMET-0005236,COC1(C(F)(F)F)CN(C(=O)c2oc(-c3ccccc3)nc2C)C1,5.19,4.806783676147461,4.821480836236933,2448,3,0,1.0
OADMET-0005235,COc1ccc2c(c1NC(=O)N1CCC(O)(C3CCC3)CC1)CCC2,4.54,5.541065692901611,5.284131355932205,2447,4,0,1.0
OADMET-0005234,COc1c(C(=O)N2CCC(Cc3nccs3)C2)[nH]c2ccccc12,4.87,4.466009457906087,4.5774358974358975,2446,0,0,1.0
OADMET-0005233,N#Cc1cccnc1Oc1ccc(-n2ncc3ccccc32)cc1,4.88,4.349122842152913,4.47620253164557,2445,1,0,1.0
OADMET-0005232,O=C(c1onc2c1CCCC2)N1Cc2ncccc2N2CCC[C@H]2C1,5.45,5.09209680557251,4.9999852507374625,165,4,0,1.0
OADMET-0005231,O=C(Nc1cc(C2CCOCC2)on1)NC(CCO)c1ccc(Cl)c(Cl)c1,4.81,4.19755760828654,4.355306748466257,2444,2,0,1.0
OADMET-0005230,COc1cc(CCC(=O)N2CCC(c3cc(C)n[nH]3)CC2)ccc1OCC(F)(F)F,5.21,4.333314895629883,4.47620253164557,2443,3,0,1.0
OADMET-0005229,COc1ccc2c(c1)C(CCNC(=O)C(C)(O)C(F)(F)F)=CC2,4.6,4.550317923227946,4.682475247524752,2442,2,0,1.0
OADMET-0005228,Cc1nc(-c2ccc(NC(=O)N3CC(c4ccccc4)C4CCCC43)cc2)cc(=O)[nH]1,4.89,4.404201666514079,4.543097826086957,711,0,0,1.0
OADMET-0005227,COC1(c2ccccc2)CN(C(=O)Cc2cnc3c(C)cccn23)C1,4.63,4.9974110921223955,4.998154761904762,2441,1,0,1.0
OADMET-0005226,Cn1c(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(F)c3)ccc21,4.2,4.507430712381999,4.59815,673,4,1,2.0
OADMET-0005225,COC(CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C1CCOC1,4.62,4.369088013966878,4.477399999999999,540,0,0,1.0
OADMET-0005224,Cc1ccc(-c2cc(C(=O)N3CC(C)OC(c4ccsc4)C3)[nH]n2)cc1,4.91,4.813645203908284,4.821480836236933,210,4,0,1.0
OADMET-0005223,Cn1cccc1C1CCCCN1C(=O)c1cc(-c2ccccc2)no1,5.2,5.242681344350179,5.026367187500001,40,1,0,1.0
OADMET-0005222,CCOC1CC(CC(=O)N2CCCCC2Cc2ccc(O)cc2)C1,5.48,4.949412027994792,4.988000000000001,2440,0,0,1.0
OADMET-0005221,N#Cc1ccc(S(=O)(=O)N2CCCC(c3nnc4ccccn34)C2)cc1C(F)(F)F,5.04,5.2460276285807295,5.026367187500001,2439,0,0,1.0
OADMET-0005220,COc1cc(Cl)ccc1CC1NC(=O)C(C2CC(C)(C)C2)NC1=O,5.16,5.222997506459554,5.026367187500001,2438,1,0,1.0
OADMET-0005219,Cc1ccc(-c2nc(C(C)Oc3ccc(Br)cc3Cl)no2)cn1,4.16,4.680849393208821,4.817948717948719,701,2,0,1.0
OADMET-0005218,COc1c(F)cccc1N(C)S(=O)(=O)c1ccc(F)c2ncccc12,5.57,5.12482213973999,4.9999852507374625,2437,2,0,1.0
OADMET-0005217,O=C(NCC(O)c1ccc(Cl)c(F)c1)C1CC(c2c(F)cccc2F)=NO1,4.47,4.6259768803914385,4.776467889908257,2436,3,0,1.0
OADMET-0005216,COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Cc1ccc(C)cc1,4.14,4.4583719571431475,4.5774358974358975,168,1,0,1.0
OADMET-0005215,COc1cccc(Cc2noc(Cc3cnn(-c4ccccc4)n3)n2)n1,4.65,4.8709055582682295,4.821480836236933,682,3,0,1.0
OADMET-0005214,CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)c1cnc2snc(C)c2c1,5.12,4.957571506500244,4.988000000000001,720,0,0,1.0
OADMET-0005213,CC(C)[C@H](C(=O)Nc1ccncc1F)N1Cc2ccccc2C1=O,5.15,4.174699862798055,4.355306748466257,2435,4,0,1.0
OADMET-0005212,Cc1nc(-c2ccc(CCNC(=O)c3cccn(C)c3=O)s2)cs1,4.87,3.8402182261149087,3.916360294117648,2434,0,0,1.0
OADMET-0005211,CC(C)(CNC(=O)c1cc(Cl)ccc1F)c1coc(-c2ccccc2)n1,4.46,5.189611911773682,5.026367187500001,2433,1,1,2.0
OADMET-0005210,Cc1cc(S(=O)(=O)NC(=O)C(C)Oc2ccccn2)cc(C)c1C,4.52,4.904815673828125,4.834642319277108,2432,2,0,1.0
OADMET-0005209,Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccnc1,4.57,5.360530376434326,5.2117424242424235,277,2,1,2.0
OADMET-0005208,O=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1cccnc1,4.93,4.643567403157552,4.817948717948719,14,1,1,2.0
OADMET-0005207,Cn1cc([C@@H]2C[C@H]2NC(=O)CCc2cccc3ccccc23)cn1,4.3,4.828753471374512,4.821480836236933,2431,3,0,1.0
OADMET-0005206,CC1=C(C)CN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1,5.13,5.253754456837972,5.067031249999999,2430,4,0,1.0
OADMET-0005205,CCC1CN(C(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)CC1N1CCOCC1,4.34,3.9114320278167725,3.916360294117648,2429,4,0,1.0
OADMET-0005204,Cn1ncc(S(=O)(=O)Nc2cccc(Sc3ccccc3)c2)n1,4.61,5.031180699666341,4.9999852507374625,2428,1,0,1.0
OADMET-0005203,O=C(Nc1c[nH]nc1-c1nccs1)[C@H]1C[C@](O)(c2cccc(Cl)c2)C1,4.57,3.709230105082194,3.8408219178082192,2427,2,0,1.0
OADMET-0005202,CCc1nc2c(C(=O)N3CCOc4c(C)cc(C)cc43)ccnc2[nH]1,4.47,4.725161234537761,4.817948717948719,2426,3,0,1.0
OADMET-0005201,Cn1cc(-c2nc3cc(F)ccc3n2C)c(C2CCC2)n1,4.31,4.806018670399983,4.821480836236933,2425,4,0,1.0
OADMET-0005200,CC(C)Cc1ncc(C(=O)N2CCC(=O)N(C)c3ccccc32)s1,5.33,5.09016211827596,4.9999852507374625,41,4,0,1.0
OADMET-0005199,Cc1ccc(C(=O)NCc2cc(-c3ccccc3Cl)on2)cc1[N+](=O)[O-],4.58,4.6351752281188965,4.776467889908257,719,2,0,1.0
OADMET-0005198,OC(c1ccccc1)C1CCCN1Cc1coc(-c2ccccc2C(F)(F)F)n1,4.8,5.557050546010335,5.284131355932205,2424,0,0,1.0
OADMET-0005197,CCc1ccc(OCC(=O)NS(=O)(=O)c2csc(-c3ccccc3)n2)c(OC)c1,4.44,4.886876742045085,4.821480836236933,2423,1,0,1.0
OADMET-0005196,CCCc1c(C(=O)OCc2nnc3n2CCCCC3)nnn1-c1cccc(Cl)c1,5.07,5.235843976338704,5.026367187500001,2422,2,0,1.0
OADMET-0005195,Cc1cccc(CN(C)C(=O)CCn2cc(C#N)c(=O)[nH]c2=O)c1C,4.26,3.9942466417948403,4.031000000000001,2421,3,0,1.0
OADMET-0005194,CC1CCCCC1Nc1nnc(COCc2ccccc2)o1,4.92,4.772398789723714,4.821480836236933,2420,4,0,1.0
OADMET-0005193,CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)C(C)NC(=O)C1CCC1,4.81,4.7801194190979,4.821480836236933,2419,1,0,1.0
OADMET-0005192,CC1(C)CCCC(C)(CNc2ncc(S(C)(=N)=O)cn2)C1,4.39,5.567147413889567,5.284131355932205,2418,2,0,1.0
OADMET-0005191,O=C(N1CCC(Cn2cncn2)CC1)C1(c2ccccc2F)CCCC1,5.21,5.147555669148763,4.9999852507374625,718,3,0,1.0
OADMET-0005190,CC(c1ccccc1C(F)(F)F)n1cc(S(N)(=O)=O)nn1,5.57,4.944983800252278,4.988000000000001,2417,3,0,1.0
OADMET-0005189,CCONC(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1,4.37,5.468855222066243,5.269615384615386,2416,1,0,1.0
OADMET-0005188,O=C(CO)N1CCN(c2nc3ccccc3nc2N2CCCCC2)CC1,4.78,4.1420033772786455,4.311111111111112,2415,2,0,1.0
OADMET-0005187,CC(N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccnc1,5.2,5.129367351531982,4.9999852507374625,509,2,0,1.0
OADMET-0005186,COc1ccccc1-c1cn(Cc2nc3c(o2)CCCC3)nn1,4.4,4.995615164438884,4.998154761904762,59,0,1,2.0
OADMET-0005185,FC(F)(F)c1ccccc1-c1cn(CCc2ccccn2)nn1,4.5,4.873153368631999,4.821480836236933,2414,3,0,1.0
OADMET-0005184,c1ccc(Oc2ccnc(NC3CCOC(c4ccccc4)C3)n2)cc1,4.82,4.7343465487162275,4.817948717948719,2413,4,0,1.0
OADMET-0005183,Cc1sc(-c2ccc3c(c2)OCO3)nc1-c1cn(CC2CCCN2)nn1,4.46,3.6734396616617837,3.6602857142857137,2412,0,0,1.0
OADMET-0005182,COC(=O)c1ccc(Cl)cc1-c1cn([C@H]2CC[C@H]2F)nn1,4.87,5.23754898707072,5.026367187500001,2411,1,0,1.0
OADMET-0005181,COc1ccc(CS(=O)(=O)CC(=O)N2CCCC2(C)C)c(C)n1,5.33,5.628842989603679,5.284131355932205,2410,2,0,1.0
OADMET-0005180,CC(C1Cc2ccccc2O1)N(C)C(=O)c1ccc(F)c(S(N)(=O)=O)c1,4.86,5.107175827026367,4.9999852507374625,2409,3,0,1.0
OADMET-0005179,N#Cc1cc(C(F)(F)F)cc(N2CCCN(C3CC3)CC2)n1,5.21,4.745830535888672,4.817948717948719,2408,4,0,1.0
OADMET-0005178,CCC(NC(=O)C(C)c1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1,5.0,4.765093962351481,4.817948717948719,2407,0,0,1.0
OADMET-0005177,O=C1c2ccccc2S(=O)(=O)N1Cc1ccccc1SC(F)F,5.21,5.244203090667725,5.026367187500001,2406,1,0,1.0
OADMET-0005176,COCC(C)(C)CN(Cc1ccn(C)n1)c1nc(C)c(C#N)s1,4.86,5.162952582041423,4.9999852507374625,2405,2,0,1.0
OADMET-0005175,CC(C(=O)NCc1ccc2ccoc2c1)c1ccc(Br)cc1,4.2,5.1107509930928545,4.9999852507374625,2404,3,1,2.0
OADMET-0005174,Cc1ccccc1C(C)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1,4.62,4.76213010152181,4.817948717948719,2403,4,0,1.0
OADMET-0005173,CN(CCNC(=O)c1cnn(C)c1-c1ccccc1)C(=O)c1cnn(C)c1-c1ccccc1,4.82,4.9445085525512695,4.988000000000001,2402,0,0,1.0
OADMET-0005172,CSc1ccc(CN2C(=O)[C@@H]3CCCN3S2(=O)=O)cc1Cl,5.2,4.897284825642903,4.834642319277108,2401,1,1,2.0
OADMET-0005171,O=C(CSc1nncn1-c1cccc(Cl)c1)NCCOc1ccccc1,4.72,4.732194105784099,4.817948717948719,2400,2,0,1.0
OADMET-0005170,COc1cc(C)ccc1NC(=O)C1CC2(C)CCCN2S1(=O)=O,5.14,4.764915307362874,4.817948717948719,2399,3,0,1.0
OADMET-0005169,CCc1cccc(CC)c1NC(=O)C(C)n1cc(CN2CCCC3(CC3)S2(=O)=O)nn1,4.87,5.173798720041911,4.9999852507374625,2398,4,0,1.0
OADMET-0005168,CN1CC(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)Cc2ccccc21,4.95,4.5349273681640625,4.682475247524752,2397,0,0,1.0
OADMET-0005167,Cc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)c(C)n1,5.28,4.03755251566569,4.092280701754386,515,1,0,1.0
OADMET-0005166,CN(C)c1ccc(-c2cn(Cc3ccccc3C#N)nn2)cc1,5.37,4.94834025700887,4.988000000000001,2396,1,0,1.0
OADMET-0005165,C[C@@H](CNC(=O)CCc1cncc2ccccc12)Oc1ccc(Cl)cc1,5.25,4.700766881306966,4.817948717948719,2395,0,0,1.0
OADMET-0005164,CC(C)(CNC(=O)CCCOc1cccc(Cl)c1Cl)c1cccnc1,4.84,5.168721516927083,4.9999852507374625,2394,4,0,1.0
OADMET-0005163,Cc1[nH]c2ncnc(NC(=O)C(CCS(C)(=O)=O)c3ccccc3)c2c1C,4.54,2.4578075408935547,2.5691379310344833,2393,3,0,1.0
OADMET-0005162,CC1CCN(C(=O)NCC2CCN(c3ccccc3Cl)C2)CC1,4.9,4.707157929738362,4.817948717948719,317,0,1,2.0
OADMET-0005161,CC(Cn1cc(COc2ncccn2)nn1)C1CCCCC1,5.07,5.293676376342773,5.067031249999999,2392,3,0,1.0
OADMET-0005160,CC(Oc1cccc(Br)c1)c1nnc(-c2cnn(C)c2)o1,4.49,4.429695924123128,4.543097826086957,2391,4,0,1.0
OADMET-0005159,Cn1nccc1N1CCCC(NC(=O)NC2CC(OC(C)(C)C)C2)C1=O,4.4,4.844094912211101,4.821480836236933,2390,0,0,1.0
OADMET-0005158,Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)N(C)C)cc2)n1,4.61,4.375522613525391,4.477399999999999,2389,1,0,1.0
OADMET-0005157,COC(=O)c1ccccc1CNC(=O)c1nn[nH]c1C1CC1,4.8,3.976954380671183,4.031000000000001,7,3,0,1.0
OADMET-0005156,Cn1cc(CNCCc2c(C(F)(F)F)[nH]c3ccccc23)cc1C#N,4.31,4.654514312744141,4.817948717948719,2388,2,0,1.0
OADMET-0005155,C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2ccc(F)c3occc23)N1C,4.83,4.47934087117513,4.59815,164,0,0,1.0
OADMET-0005154,Cn1cccc1C1CCCN1C(=O)C1CC(=O)N(Cc2ccccc2)C1,4.89,4.901910463968913,4.834642319277108,40,1,0,1.0
OADMET-0005153,c1ccc(COC2(c3nc(Cc4cnc(C5CC5)o4)no3)CCOCC2)cc1,4.53,4.500333944956462,4.59815,717,3,0,1.0
OADMET-0005152,O=C(c1ncc2ccccn12)N1CCCC(n2ccc(C(F)(F)F)n2)C1,5.06,4.7236355145772295,4.817948717948719,64,1,0,1.0
OADMET-0005151,O=S(=O)(NC1(C(F)(F)F)CC1)c1ccc(-n2cccn2)cc1,4.83,4.360823313395183,4.477399999999999,247,3,1,2.0
OADMET-0005150,COc1c(Cl)cccc1C(=O)NCCc1cnn(-c2ccccc2)n1,5.02,4.653680960337321,4.817948717948719,316,3,1,2.0
OADMET-0005149,CC(c1cccc(C#N)c1)N1CCN(C(=O)NC2CCCCC2)CC1,4.64,4.320094585418701,4.47620253164557,2387,3,0,1.0
OADMET-0005148,Cc1ccccc1CC(CO)CNC(CC(C)C)c1ccccn1,4.92,4.7934590975443525,4.821480836236933,2386,4,0,1.0
OADMET-0005147,Cc1occ(-c2ccccc2)c1C(=O)NC[C@]1(CO)COC[C@@H](C)N1C,4.62,4.543685595194499,4.682475247524752,164,0,0,1.0
OADMET-0005146,O=C(Cc1c[nH]c2ccc(F)cc12)NCC1NCCc2sccc21,4.45,3.6413582960764566,3.571791044776119,2385,0,0,1.0
OADMET-0005145,C[C@@H]1COC[C@@](CO)(CNC(=O)c2ccccc2-n2ccc(C3CC3)n2)N1C,4.99,4.29691211382548,4.47620253164557,164,0,0,1.0
OADMET-0005144,CCC1C(=O)N(CC)CCN1S(=O)(=O)c1c(F)cc(OC)cc1F,4.6,5.358588695526123,5.2117424242424235,2384,1,1,2.0
OADMET-0005143,O=C(c1ccccc1Br)N1CC(c2cn(-c3ccccc3)nn2)C1,4.63,5.257198015848796,5.067031249999999,2383,2,0,1.0
OADMET-0005142,CCC(C)(C)NC(C)C(=O)Nc1ccc(-n2cc(C#N)cn2)cc1,4.49,4.23347806930542,4.355306748466257,2382,2,0,1.0
OADMET-0005141,CCOC(=O)N1CSCC1C(=O)NC1CC=C(c2ccc(F)cc2)CC1,4.8,4.316414515177409,4.47620253164557,609,3,0,1.0
OADMET-0005140,Cc1cccc(CC(NC(=O)c2nn[nH]c2C2CC2)C2CC2)c1,4.87,5.800421714782715,5.529772727272728,716,1,0,1.0
OADMET-0005139,CC1CCCC1CC(=O)NCCC(O)(c1ncco1)C(F)(F)F,5.12,4.620534578959147,4.776467889908257,2381,4,0,1.0
OADMET-0005138,C[C@@H]1COC[C@@](CO)(CNS(=O)(=O)c2cnn3c2CCCC3)N1C,4.84,4.154005209604899,4.355306748466257,715,0,0,1.0
OADMET-0005137,CCC(C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C,5.44,5.271905581156413,5.067031249999999,2380,0,0,1.0
OADMET-0005136,O=C(Cc1cnn2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1,5.05,4.406760851542155,4.543097826086957,64,1,0,1.0
OADMET-0005135,O=c1n(CC2OCCO2)c2cccnc2n1-c1ccc(Cl)cc1,4.34,4.4266988436381025,4.543097826086957,2379,1,0,1.0
OADMET-0005134,O=C(Cn1nc2n(c1=O)CCCC2)Nc1nnc(Cc2ccccc2)s1,4.42,4.724438349405925,4.817948717948719,2378,2,0,1.0
OADMET-0005133,COc1ccccc1C(C)(C)n1cc(C(C)(C)NS(C)(=O)=O)nn1,5.03,5.243419011433919,5.026367187500001,138,3,0,1.0
OADMET-0005132,CCCCC(C)N(CCCC)C(=O)c1ccn2ccnc2n1,5.33,5.210085233052571,5.026367187500001,2377,3,0,1.0
OADMET-0005131,COC(=O)c1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(OC)cc2)cc1,4.46,4.515706539154053,4.59815,2376,4,0,1.0
OADMET-0005130,O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cc(F)cc(F)c2)C1,5.1,5.214227835337321,5.026367187500001,714,2,1,2.0
OADMET-0005129,O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)Nc1ccc(F)cc1F,5.01,4.2075730959574384,4.355306748466257,2375,0,0,1.0
OADMET-0005128,CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)[C@H](C)Oc1ccc2ccccc2c1,5.46,4.540730794270833,4.682475247524752,302,0,1,2.0
OADMET-0005127,CC1(C)CCC(NC(=O)CCc2cncs2)C(c2ccccc2)C1,5.25,5.25883674621582,5.067031249999999,713,4,1,2.0
OADMET-0005126,CN(Cc1cc(F)cc(F)c1)C(=O)CCCc1ccc(-c2noc(=O)[nH]2)cc1,4.15,4.414149761199951,4.543097826086957,2374,1,0,1.0
OADMET-0005125,CC(C)(C(=O)NCCN(C(=O)CC1CCC2CC12)C1CC1)S(C)(=O)=O,4.67,4.475869814554851,4.59815,2373,2,1,2.0
OADMET-0005124,Cn1ncc(C(=O)NC2CCS(=N)(=O)c3ccc(F)cc32)c1Cc1ccccc1,4.5,4.730846246083577,4.817948717948719,30,1,1,2.0
OADMET-0005123,O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2cc[nH]n2)s1,4.6,4.38182274500529,4.477399999999999,712,4,1,2.0
OADMET-0005122,Cc1cc(C2CCCN2C(=O)Cc2nc(-c3ccco3)oc2C)no1,4.52,5.202771504720052,5.026367187500001,141,2,0,1.0
OADMET-0005121,CCC(C)n1ncc(NC(=O)N2CCOCC2c2ccccc2)c1C,4.94,5.239455382029216,5.026367187500001,2372,1,0,1.0
OADMET-0005120,Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc4nc(N(C)C)oc4c3)c2)cc1,4.19,4.311455885569255,4.47620253164557,2371,2,0,1.0
OADMET-0005119,NC(=O)c1ccc(C(=O)N2CC(c3ccccc3)C3CCCC32)s1,4.97,5.011266708374023,4.998154761904762,711,0,0,1.0
OADMET-0005118,CCc1nnc(CN2C[C@H](C)CC[C@H]2c2cccc(C)c2)o1,4.36,4.936195055643718,4.888,2370,3,0,1.0
OADMET-0005117,O=C(NC(CO)C1CCC1)c1nnc2c(F)cccc2c1O,4.46,4.6159060796101885,4.776467889908257,2369,1,0,1.0
OADMET-0005116,O=C(CC1CCCC1)N1CCC(Nc2nnc(-c3ccccc3)o2)C1,5.3,4.971126556396484,4.988000000000001,2368,3,0,1.0
OADMET-0005115,CCSc1cccc(Cn2nnnc2N(C)CC2COCCO2)c1,5.12,4.64747412999471,4.817948717948719,2367,4,0,1.0
OADMET-0005114,c1ccc(Nc2noc(-c3ccnc(C4CCCC4)n3)n2)cc1,4.01,4.813779513041179,4.821480836236933,2366,0,0,1.0
OADMET-0005113,O=S(=O)(Nc1cnc(C2CC2)nc1)c1cccc2c1COC2,4.23,4.753533045450847,4.817948717948719,299,2,0,1.0
OADMET-0005112,CCc1cc(NC(=O)c2cnn(C)c2C(F)(F)F)ccc1F,4.26,4.5812907218933105,4.682475247524752,2365,1,1,2.0
OADMET-0005111,CCN(CC(=O)Nc1ccccc1OC)CC1CCC2(COC2)O1,5.19,4.7131021817525225,4.817948717948719,2364,2,0,1.0
OADMET-0005110,CCCC1(CCC)CCCN1C(=O)CCc1cnccn1,4.93,5.459470748901367,5.262840909090909,2363,3,0,1.0
OADMET-0005109,CCC(CC)CN(CC)C(=O)c1cn(C(F)(F)CO)nn1,5.3,4.927494208017985,4.888,2362,4,0,1.0
OADMET-0005108,N#Cc1ccccc1OCc1cn(CCc2ccccc2)nn1,5.1,4.923755486806233,4.888,2361,0,0,1.0
OADMET-0005107,C=C(C)C1OCCC1CNC(=O)C1CCCCN1C(=O)c1cccs1,5.03,4.667184193929036,4.817948717948719,710,3,1,2.0
OADMET-0005106,CN1CCCCC(N(C)C(=O)Cc2ccc3c(c2)OCO3)C1=O,4.73,4.39889399210612,4.543097826086957,553,0,0,1.0
OADMET-0005105,COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc(C)c(C)n1)C2,5.15,5.321127891540527,5.067031249999999,2360,1,0,1.0
OADMET-0005104,O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1O2)c1cn(-c2ccccc2)nn1,5.26,5.41369088490804,5.262777777777777,2359,2,0,1.0
OADMET-0005103,Cc1ccc(Cn2nnc(C3(C(F)(F)F)CCCN3)n2)cc1C,5.06,4.831276893615723,4.821480836236933,2358,3,0,1.0
OADMET-0005102,CC1(NC(=O)c2cccc(C3(C)NC(=O)NC3=O)c2)CC=CCC1,5.09,5.140362580617269,4.9999852507374625,315,1,1,2.0
OADMET-0005101,N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc2ccccc12,4.57,4.941822528839111,4.988000000000001,2357,4,0,1.0
OADMET-0005100,Cc1cc2ccccc2n1CC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1,4.44,4.938288688659668,4.888,380,3,1,2.0
OADMET-0005099,Cc1cc(O)n2ncc(C(=O)NC(C)CCc3ccccc3F)c2n1,4.84,5.270567258199056,5.067031249999999,709,1,0,1.0
OADMET-0005098,Cc1cc(=O)c(C(=O)NC2c3ccccc3CCC2C(C)C)c[nH]1,5.09,5.692560036977132,5.284131355932205,163,1,0,1.0
OADMET-0005097,Cc1oc(-c2cnn(C)c2)nc1C(=O)NC1(C)CC=CCC1,4.73,4.655492623647054,4.817948717948719,605,1,0,1.0
OADMET-0005096,O=C(NCCc1ccc(C(F)(F)F)cn1)c1noc2c1CCCC2,5.23,4.712660948435466,4.817948717948719,2356,0,1,2.0
OADMET-0005095,CCc1cccc2ccc(C(=O)NCC34CCCC(C3)C(=O)N4)nc12,5.47,5.309486389160156,5.067031249999999,2355,1,0,1.0
OADMET-0005094,COc1ccc(C2(NC(=O)C3Cc4ccccc43)CC2)cc1,5.24,5.579995473225911,5.284131355932205,2354,2,0,1.0
OADMET-0005093,COc1cccc2c1CCCCN2C(=O)c1cc2ncccc2o1,5.31,4.80297835667928,4.821480836236933,2353,3,0,1.0
OADMET-0005092,Cn1nccc1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1,4.73,4.072488307952881,4.092280701754386,314,4,1,2.0
OADMET-0005091,O=C(c1sccc1C1CC1)N1CCC(C(=O)N2CCCCC2)CC1,5.31,4.932545185089111,4.888,2352,4,1,2.0
OADMET-0005090,COc1cc(OC)nc(C(=O)N2CCCCc3cccnc32)n1,5.44,4.952615102132161,4.988000000000001,708,2,0,1.0
OADMET-0005089,CC(C)(NC(=O)Nc1c2c(nn1-c1ccccc1)CCC2)c1nccs1,5.06,5.261895338694255,5.067031249999999,2351,0,0,1.0
OADMET-0005088,CC(=O)N1CCCN(C(=O)NCc2cnccc2C(C)(C)C)CC1,4.57,4.857603708902995,4.821480836236933,62,4,0,1.0
OADMET-0005087,Cc1nc(-c2ncccn2)sc1C(=O)N1CCCCCO1,5.0,4.947036584218343,4.988000000000001,2350,1,0,1.0
OADMET-0005086,O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1cc(-c2ccccc2)n(-c2ccccn2)n1,3.99,3.5984737078348794,3.571791044776119,2349,2,0,1.0
OADMET-0005085,COCC(Oc1cc(F)cc(F)c1)C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1,5.25,4.892181555430095,4.834642319277108,2348,0,0,1.0
OADMET-0005084,CS(=O)(=O)Nc1cncc(C(=O)NCCOc2ccccc2-c2ccccc2)c1,4.58,4.424929300944011,4.543097826086957,2347,4,0,1.0
OADMET-0005083,O=C(CN1CCC(F)(F)C(CO)C1)Nc1ccc2c(c1)CCC2,4.27,5.044537385304769,4.9999852507374625,2346,4,0,1.0
OADMET-0005082,CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1,5.32,4.867702484130859,4.821480836236933,2345,0,0,1.0
OADMET-0005081,Cc1nccc(N2CCN(C(=O)c3cc4cccnc4s3)CC2)n1,4.91,2.424358526865641,2.5691379310344833,154,3,1,2.0
OADMET-0005080,O=C1Nc2ccccc2CCC1NC(=O)N1Cc2cc(F)c(F)cc2C1,4.43,4.598730246225993,4.776467889908257,2344,1,0,1.0
OADMET-0005079,CC1(C)CCCC(CNC(=O)c2ccccc2-n2cccn2)O1,4.94,4.96155325571696,4.988000000000001,313,3,0,1.0
OADMET-0005078,Cn1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c2cc(F)ccc21,5.24,4.841985543568929,4.821480836236933,163,1,0,1.0
OADMET-0005077,O=C(NC1CC(F)(F)C1)c1cnc(Cc2ccccc2F)s1,5.07,4.816269238789876,4.821480836236933,41,4,0,1.0
OADMET-0005076,CC(C(=O)NC(Cc1csc2ccccc12)C(=O)O)c1ccccc1,4.35,4.418492476145427,4.543097826086957,2343,2,0,1.0
OADMET-0005075,O=C(NC(c1cccc(Cl)c1)C1CCCCC1)c1ccc(=O)[nH]n1,5.18,4.804714679718018,4.821480836236933,2342,3,0,1.0
OADMET-0005074,CC1Cc2ccccc2N1CCNC(=O)c1cc(C(F)(F)F)c[nH]c1=O,5.08,4.871953964233398,4.821480836236933,312,4,0,1.0
OADMET-0005073,Cc1cc(C)n(C(C)C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)n1,4.85,5.207004229227702,5.026367187500001,162,4,0,1.0
OADMET-0005072,Cc1ccccc1C(NC(=O)c1nccnc1C)C(C)(C)C,5.06,5.540718078613281,5.284131355932205,2341,4,0,1.0
OADMET-0005071,Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc(C(F)(F)F)cc3)noc2C)cc1,4.41,4.52817424138387,4.619999999999999,635,4,0,1.0
OADMET-0005070,COC(=O)c1cc2c(n1C)CCN(C(=O)c1cccc3[nH]c(=O)n(CC(C)(C)C)c13)C2,5.3,4.7336381276448565,4.817948717948719,2340,0,0,1.0
OADMET-0005069,COCC1(C)CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1,5.02,4.725484053293864,4.817948717948719,2339,1,0,1.0
OADMET-0005068,Cc1cc(C)cc(N(CCC#N)C(=O)c2cn3ncccc3n2)c1,5.43,5.3428982098897295,5.2117424242424235,2338,2,0,1.0
OADMET-0005067,CC(C)CN(Cc1cccc(F)c1)C(=O)CCc1cncnc1,4.73,5.081900914510091,4.9999852507374625,2337,3,1,2.0
OADMET-0005066,O=C(Nc1cccc2[nH]ccc12)C1CCCN1C(=O)Cc1ccccc1,4.72,4.544259707132976,4.682475247524752,282,4,0,1.0
OADMET-0005065,Cc1[nH]cnc1C(=O)NC(c1c[nH]c2cccc(F)c12)C(F)(F)F,5.19,4.479400634765625,4.59815,2336,4,0,1.0
OADMET-0005064,CN1CCc2ccc(NC(=O)Cc3cccc(F)c3F)cc2C1=O,4.99,4.9054412841796875,4.834642319277108,263,4,0,1.0
OADMET-0005063,Cc1cc2ccccc2n1CC(=O)N1CCNC(=O)C1c1ccccc1,4.33,4.5768818855285645,4.682475247524752,311,0,0,1.0
OADMET-0005062,COc1ccc(F)cc1CC(=O)NC(C)C1(N2CCOCC2)CCCC1,4.99,5.038164297739665,4.9999852507374625,91,2,0,1.0
OADMET-0005061,Cc1nnsc1C(=O)NC1CCCC1c1ccccc1C(F)(F)F,5.39,4.9808878898620605,4.988000000000001,707,3,0,1.0
OADMET-0005060,Cn1nc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1C1CC1,5.25,5.350111484527588,5.2117424242424235,706,4,0,1.0
OADMET-0005059,CN(C)c1cccc(CNC(=O)c2cc3ccccc3c(=O)o2)n1,4.92,4.7955342928568525,4.821480836236933,310,4,0,1.0
OADMET-0005058,CN(C)c1nccc(CNC(=O)c2cccc3ccccc23)n1,4.96,4.732742786407471,4.817948717948719,310,4,0,1.0
OADMET-0005057,NC(=O)COc1cccc(C(=O)Nc2cccc3cccnc23)c1,4.26,4.254384517669678,4.355306748466257,360,2,0,1.0
OADMET-0005056,C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1,4.83,4.3773722648620605,4.477399999999999,2335,0,0,1.0
OADMET-0005055,Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC(C)c2cccc(O)c21,4.83,4.908312479654948,4.860652173913044,492,4,0,1.0
OADMET-0005054,Cc1nc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(-c2ccccc2)o1,4.79,5.016180992126465,4.998154761904762,2334,1,0,1.0
OADMET-0005053,CC(C)(C)C1CN(C(=O)c2ccc(C(N)=O)nc2)c2ccccc21,4.95,5.443970362345378,5.262840909090909,2333,2,0,1.0
OADMET-0005052,Cc1nc(C)c(C(=O)NC(C)(c2ccc(Br)cc2)C(C)C)o1,4.82,4.97041130065918,4.988000000000001,2332,3,1,2.0
OADMET-0005051,Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC(C2CCC2)C1,4.84,5.668943405151367,5.284131355932205,2331,4,0,1.0
OADMET-0005050,CCc1cccc(S(=O)(=O)NC2CCCN(CC(F)(F)F)C2=O)c1,5.22,5.5469590822855634,5.284131355932205,2330,0,0,1.0
OADMET-0005049,Cc1ccc(-c2noc(C3(C#N)CCOCC3)n2)cc1Cl,4.21,4.556854406992595,4.682475247524752,705,0,0,1.0
OADMET-0005048,Cc1ccc(-c2nnc(SCCN3CCC(F)(F)CC3)o2)cc1,5.05,3.7702144781748452,3.8408219178082192,2329,1,0,1.0
OADMET-0005047,CNC(=O)c1ccc(OC)c(NC(=O)C2Cc3cc(Cl)ccc3O2)c1,4.88,4.418333212534587,4.543097826086957,704,2,1,2.0
OADMET-0005046,CC1=C(C)CC(C(=O)NS(=O)(=O)c2cncc(Cl)c2)CC1,5.1,4.247496922810872,4.355306748466257,2328,2,0,1.0
OADMET-0005045,NC(=O)c1ccccc1NCC(=O)N1CCC(c2noc3cc(F)ccc23)CC1,5.05,4.654493649800618,4.817948717948719,2327,3,0,1.0
OADMET-0005044,COCC(=O)N1CCc2cc(NS(=O)(=O)c3cccc(OC)c3)ccc21,4.84,4.630560239156087,4.776467889908257,2326,3,0,1.0
OADMET-0005043,Cn1cc(-c2ccccc2CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)cn1,4.94,4.268644491831462,4.355306748466257,41,4,0,1.0
OADMET-0005042,O=C(Nc1cnn(Cc2ccncc2)c1)C1(c2ccccc2)CCCN1,4.69,4.449194113413493,4.5774358974358975,703,1,0,1.0
OADMET-0005041,CC(C)c1cc(C(=O)NCc2cccc(N3CCOCC3)n2)on1,4.63,4.502656141916911,4.59815,702,1,0,1.0
OADMET-0005040,Cc1n[nH]c(C(C)C)c1C(=O)NC1CCC(Cc2ccccc2)C1,4.68,4.245874404907227,4.355306748466257,2325,0,0,1.0
OADMET-0005039,COc1cc2c(=O)n(CC(=O)Nc3ccccc3Cl)cnc2cc1F,4.57,3.169606924057007,3.0979268292682924,2324,0,0,1.0
OADMET-0005038,CC(C(=O)NC(N)=O)N1CCCC(Nc2ccccc2)C1,4.86,3.8120076656341553,3.916360294117648,550,3,0,1.0
OADMET-0005037,CCOc1cc(C)nc(N2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)n1,4.09,5.009295304616292,4.998154761904762,92,0,1,2.0
OADMET-0005036,CC(C)(C)OC(=O)NC1(C(=O)NC2CCCSC2)CC1(F)F,4.93,5.330983956654866,5.16875,2323,4,0,1.0
OADMET-0005035,CN(C)c1ccc(S(=O)(=O)N2CCCC2C(F)(F)F)cn1,4.54,5.505617777506511,5.284131355932205,2322,4,0,1.0
OADMET-0005034,CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[C@H](F)C3)CCC2)C1,4.88,5.517637729644775,5.284131355932205,2321,0,0,1.0
OADMET-0005033,COc1cc(C)nc(N2CCCC(Nc3ccccc3)C2)n1,4.83,5.41155465443929,5.2508333333333335,92,0,0,1.0
OADMET-0005032,Cc1nc(C2CCCN2C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)no1,4.82,5.602567990620931,5.284131355932205,2320,1,0,1.0
OADMET-0005031,COCCc1nc(C2(Nc3ccc(Cl)cc3)CCC2)no1,4.53,4.9610616366068525,4.988000000000001,2319,2,0,1.0
OADMET-0005030,CC(C)(NC(=O)CC1CCC(F)(F)CC1)c1nc2ccccc2s1,5.07,4.8274556795756025,4.821480836236933,516,1,1,2.0
OADMET-0005029,CC1(C)CCCC(O)(CNC(=O)C2(S(C)(=O)=O)CCCC2)C1,4.73,4.431478818257649,4.543097826086957,2318,3,0,1.0
OADMET-0005028,O=S(=O)(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cccc2c1CCCC2,5.3,5.188064734141032,5.026367187500001,2317,4,0,1.0
OADMET-0005027,O=S(=O)(Nc1cn(CC(F)(F)F)cn1)c1cccc2c1OCCC2,5.69,5.489911238352458,5.284131355932205,2316,0,0,1.0
OADMET-0005026,COc1cccc(C2=CCN(C(=O)c3noc4c3CCCCC4)C2)c1,5.0,5.4594699541727705,5.262840909090909,2315,1,0,1.0
OADMET-0005025,CC(NC(=O)Nc1ccccc1)C(=O)NC1CN(C)Cc2ccccc21,4.71,4.108092625935872,4.164821428571428,2314,2,0,1.0
OADMET-0005024,COc1cccc(C(=O)NCC(=O)NC2CC(C)(C)Oc3ccccc32)c1,5.02,4.664752960205078,4.817948717948719,74,3,1,2.0
OADMET-0005023,Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cc1Cl,5.23,4.415856043497722,4.543097826086957,6,4,1,2.0
OADMET-0005022,CC1CCc2c(C(=O)NS(=O)(=O)CC(F)(F)F)csc2C1,4.74,4.602172056833903,4.776467889908257,2313,3,0,1.0
OADMET-0005021,Cc1sc(=O)n(CC(=O)N(c2ccccn2)C2CCCC2)c1C,5.0,5.013495922088623,4.998154761904762,2312,4,0,1.0
OADMET-0005020,O=C(C1CCC2(CCC2)CC1)N1CCC(S(=O)(=O)c2ccccc2)CC1,5.24,4.753571669260661,4.817948717948719,2311,0,1,2.0
OADMET-0005019,CCC1(CC)CC(=O)N(CC(=O)N2CCCCCC2)C(=O)C1,5.38,4.9159042040507,4.860652173913044,78,1,0,1.0
OADMET-0005018,CC(=O)NC(C)c1nc(C(C)Oc2ccc(Br)cc2Cl)no1,4.7,4.5102159182230634,4.59815,701,2,0,1.0
OADMET-0005017,CCOCC1(c2nc(C(Oc3ccc(Br)cc3)C(C)C)no2)CC1,5.14,5.365078926086426,5.2117424242424235,2310,1,0,1.0
OADMET-0005016,CCC1(C(=O)NCc2ccc3occc3c2)CCN(C(=O)c2ccccc2)CC1,5.13,4.468721866607666,4.5774358974358975,172,0,0,1.0
OADMET-0005015,COC(=O)c1cc(C)c2c(c1)CCCN2C(=O)c1cc(OC)no1,4.8,4.7288258870442705,4.817948717948719,2309,2,0,1.0
OADMET-0005014,COc1ncc(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1,4.66,5.024975617726644,4.9999852507374625,2308,3,0,1.0
OADMET-0005013,Cc1nc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)sc1C,4.7,4.79473861058553,4.821480836236933,700,0,0,1.0
OADMET-0005012,Cc1ccc2c(c1)C(=O)N(CC(=O)NC1(C)CC=CCC1)C2=O,5.33,5.229690869649251,5.026367187500001,2307,4,0,1.0
OADMET-0005011,COCc1ccc(S(=O)(=O)Nc2cnc(OC)c(Br)c2)cc1,4.51,4.316454569498698,4.47620253164557,2306,0,0,1.0
OADMET-0005010,O=C(CCN1CCC(NC(=O)C2CC2)CC1)Nc1cccc(Cl)c1,4.61,3.416818698247274,3.4971951219512194,79,1,1,2.0
OADMET-0005009,Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(NC(C)C)nc1,5.09,5.16261609395345,4.9999852507374625,699,3,0,1.0
OADMET-0005008,Cc1csc(C(C)N2CCN(CC(O)c3ccc(F)cc3Cl)CC2)n1,4.57,4.2385125160217285,4.355306748466257,2305,1,0,1.0
OADMET-0005007,Cc1[nH]c2c(C(=O)N3CCC(NC(=O)C4CC4)CC3)cccc2c1C,4.82,4.27252737681071,4.355306748466257,2304,2,0,1.0
OADMET-0005006,COCc1cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1OC,5.05,5.257632732391357,5.067031249999999,2303,3,0,1.0
OADMET-0005005,O=C1CC(C(=O)N[C@@H]2CCCc3ccc(F)cc32)c2ccc(F)cc2N1,5.0,4.905997435251872,4.834642319277108,2302,2,0,1.0
OADMET-0005004,Cc1nn(C)c(S(=O)(=O)Nc2cc3n(n2)CCC3)c1C(F)F,4.35,4.54610554377238,4.682475247524752,604,2,1,2.0
OADMET-0005003,O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc2n(n1)CCO2,4.81,5.07384713490804,4.9999852507374625,698,4,0,1.0
OADMET-0005002,COc1ccc(CCn2nnnc2N2CCCC2)cc1F,4.87,4.810229460398356,4.821480836236933,2301,1,0,1.0
OADMET-0005001,CC1(C)CCCC1C(=O)NS(=O)(=O)Cc1ccc(Br)c(F)c1,4.63,4.466962496439616,4.5774358974358975,2300,0,1,2.0
OADMET-0005000,CN1CCC(NC(=O)COc2ccccc2)C1c1ccc(F)c(F)c1,4.57,4.950891176859538,4.988000000000001,697,4,0,1.0
OADMET-0004999,Cc1cc(F)cc(S(=O)(=O)NC(=O)[C@H]2C[C@@H]2C2CCC2)c1,4.99,4.271026452382405,4.355306748466257,2299,0,0,1.0
OADMET-0004998,COC(=O)c1c(S(=O)(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(C)nn1C,5.08,5.162237803141276,4.9999852507374625,2298,1,0,1.0
OADMET-0004997,Cc1cccc(C2CCN(C(=O)COc3cccc(NC(=O)C4CC4)c3)C2)c1,5.02,5.2539370854695635,5.067031249999999,80,2,1,2.0
OADMET-0004996,CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnn(C)c3)s2)CC1,5.03,5.126214822133382,4.9999852507374625,2297,2,0,1.0
OADMET-0004995,CCc1nocc1CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3,5.34,5.113119443257649,4.9999852507374625,2296,3,0,1.0
OADMET-0004994,O=C(Nc1cc(Cl)ccc1OCC1CCC1)C1CC12CCS(=O)(=O)CC2,5.16,4.711872259775798,4.817948717948719,589,4,0,1.0
OADMET-0004993,COc1ccc(C(C)(C)c2noc(-c3cc(C)[nH]n3)n2)cc1OC,4.65,4.660170555114746,4.817948717948719,2295,4,0,1.0
OADMET-0004992,O=C(NC1CC2CN(c3ccccn3)CCN2C1=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1,4.78,4.190060138702393,4.355306748466257,2294,0,0,1.0
OADMET-0004991,O=S1(=O)C[C@H]2CC[C@H](C2)N1Cc1cn(-c2ccccc2)nn1,5.41,5.082993825276692,4.9999852507374625,696,0,0,1.0
OADMET-0004990,c1cnc(C(CC2CCCCC2)n2cc(C3CCC3)nn2)nc1,5.51,5.643454710642497,5.284131355932205,2293,1,0,1.0
OADMET-0004989,Cc1c(S(=O)(=O)Nc2cc(C)n(C3CCCCC3)n2)cnn1C,5.56,4.596573829650879,4.776467889908257,642,2,1,2.0
OADMET-0004988,O=c1c2cccn2ccn1Cc1cn(-c2ccccc2)nn1,4.87,4.652306238810222,4.817948717948719,696,0,0,1.0
OADMET-0004987,Cc1c(NC(=O)c2cc(F)cc3cccnc23)c(=O)n(-c2ccccc2)n1C,5.23,4.885940233866374,4.821480836236933,666,2,0,1.0
OADMET-0004986,O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1C1(C(F)(F)F)N=N1,4.87,4.9896240234375,4.998154761904762,2292,2,0,1.0
OADMET-0004985,COc1cccc(NC(=O)N(C)Cc2nccn2Cc2ccccc2)c1,4.78,4.876483122507731,4.821480836236933,2291,3,0,1.0
OADMET-0004984,O=C1NCCc2ccc(S(=O)(=O)Nc3cccc4cc[nH]c34)cc21,5.33,4.3966719309488935,4.543097826086957,303,2,0,1.0
OADMET-0004983,CSCc1cccnc1C(=O)Nc1cccc(C(F)F)c1Cl,4.65,4.783005237579346,4.821480836236933,2290,4,0,1.0
OADMET-0004982,CSc1nnnn1-c1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1,4.47,4.985316753387451,4.998154761904762,2289,4,0,1.0
OADMET-0004981,COCCNC(=O)CN(C)C(=O)c1ccccc1Oc1ccccc1C(C)C,5.53,4.9405191739400225,4.988000000000001,2288,1,0,1.0
OADMET-0004980,O=C(c1ccc(Cc2ccccc2)cn1)N1CCCC2(CCOCC2)C1,5.35,4.650922616322835,4.817948717948719,587,3,0,1.0
OADMET-0004979,O=C(C1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1,4.2,4.697951475779216,4.817948717948719,2287,2,0,1.0
OADMET-0004978,Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(F)c(C(N)=O)c1,5.05,4.316202640533447,4.47620253164557,29,0,1,2.0
OADMET-0004977,COC1CN(S(=O)(=O)N2CCCC2c2cc(F)ccc2F)C1,5.33,5.335988521575928,5.2117424242424235,2286,3,0,1.0
OADMET-0004976,O=C(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc(F)cc1,4.56,4.4857330322265625,4.59815,156,1,0,1.0
OADMET-0004975,CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCOCC3)C2)cc1C#N,4.6,3.79714568456014,3.8408219178082192,309,0,0,1.0
OADMET-0004974,O=C(NCc1cc2ccccc2[nH]1)NCc1cccc(F)c1F,4.98,4.9254218737284345,4.888,2285,4,0,1.0
OADMET-0004973,CCc1nnc2ccc(NC3CCc4cc(Cl)ccc43)nn12,5.21,5.255972067515056,5.067031249999999,2284,0,0,1.0
OADMET-0004972,Nc1ncc(C(=O)NC2CN(C(c3ccccc3)c3ccccc3)C2)o1,4.24,4.8798472086588545,4.821480836236933,2283,1,0,1.0
OADMET-0004971,Cn1nnc2cc(S(=O)(=O)NC3(C(F)(F)F)CCCC3)ccc21,4.6,4.870962937672933,4.821480836236933,695,3,0,1.0
OADMET-0004970,CC(C)CC(CNC(=O)C(C)N1CCSCC1)NC(=O)c1ccc([N+](=O)[O-])s1,5.22,4.920681635538737,4.888,2282,2,0,1.0
OADMET-0004969,CCc1nc(C(C)NC(=O)Nc2cccc3c2OC(C)(C)C3)n[nH]1,4.97,5.423257668813069,5.262777777777777,198,1,0,1.0
OADMET-0004968,Cc1c(C(=O)N(C)C(C)CS(C)(=O)=O)sc2cccc(F)c12,4.73,5.442258834838867,5.262840909090909,2281,3,0,1.0
OADMET-0004967,Cn1ncc(C(=O)NC(CO)c2ccsc2)c1Cc1ccccc1,4.8,4.817548433939616,4.821480836236933,30,1,0,1.0
OADMET-0004966,CCC(NC(=O)c1cnc(N)c(Cl)c1)c1cc(F)ccc1OC,5.15,5.004260063171387,4.998154761904762,2280,4,0,1.0
OADMET-0004965,O=C1NCC2CCC1N2S(=O)(=O)c1ccccc1OC(F)(F)F,4.93,5.300373236338298,5.067031249999999,2279,3,0,1.0
OADMET-0004964,COC(CSc1nc2ccccc2c(=O)n1C)c1ccc(Cl)cc1,5.21,5.389422575632731,5.234230769230769,2278,4,0,1.0
OADMET-0004963,O=S(=O)(NCCCC(F)(F)F)c1nnc(-c2ccccc2)s1,4.78,4.711309432983398,4.817948717948719,2277,0,0,1.0
OADMET-0004962,Cc1ccc2c(C(=O)NC3COC4CC3C4)cc(-c3cnn(C)c3)nc2c1C,4.27,4.806412696838379,4.821480836236933,2276,3,0,1.0
OADMET-0004961,O=C(NCc1ccnc(-n2cncn2)c1)N[C@@H]1CCCc2ccccc21,4.67,4.614843050638835,4.776467889908257,2275,0,0,1.0
OADMET-0004960,Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCC(N)=O)c2ccccc12,5.39,5.291700839996338,5.067031249999999,2274,1,1,2.0
OADMET-0004959,CC(CNC(=O)c1c2c(nc3ccccc13)C(=Cc1cccs1)CC2)c1nncn1C,4.68,5.03415060043335,4.9999852507374625,2273,2,0,1.0
OADMET-0004958,FC(F)(F)Cn1ccc(Cc2nc(-c3ccsc3Cl)no2)n1,4.97,4.451765696207683,4.5774358974358975,2272,3,0,1.0
OADMET-0004957,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(=O)oc2cc(O)ccc12,4.95,5.216906865437825,5.026367187500001,152,3,0,1.0
OADMET-0004956,Cc1cc(S(N)(=O)=O)oc1C(=O)NC(C)c1cc(Cl)cc2c1OCC2,5.42,5.2619560559590655,5.067031249999999,2271,4,0,1.0
OADMET-0004955,O=C(CN1CCc2ccc(O)cc2CC1)NC(c1ccccc1)c1nccs1,4.57,4.4366374015808105,4.543097826086957,694,1,0,1.0
OADMET-0004954,CC1=CCN(C(=O)NC(c2ccc(F)cc2F)c2nccn2C)CC1,5.03,5.004490852355957,4.998154761904762,2270,0,0,1.0
OADMET-0004953,COc1ccccc1Oc1cccc(OC)c1NC(=O)c1ccnc(C(N)=O)c1,4.6,4.504271666208903,4.59815,2269,1,1,2.0
OADMET-0004952,O=S(=O)(NC12CCC(F)(CC1)C2)c1cnnn1-c1ccccc1,5.03,5.504113992055257,5.284131355932205,2268,2,0,1.0
OADMET-0004951,Cc1ccc2nc(-c3cccs3)cc(C(=O)Nc3cccc(C(=O)N(C)CC(N)=O)c3)c2c1,4.56,4.799302419026692,4.821480836236933,693,2,0,1.0
OADMET-0004950,COC(=O)c1c(CNS(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)nn2c1CCCC2,5.33,5.454858938852946,5.262840909090909,90,1,0,1.0
OADMET-0004949,CCC(C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1)c1c(C)noc1C,4.9,4.970437685648601,4.988000000000001,251,2,0,1.0
OADMET-0004948,C[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)C1)c1ccc(F)cc1,4.54,4.423904577891032,4.543097826086957,2267,3,0,1.0
OADMET-0004947,CC(C)(C)c1ocnc1CN1CCCCC1C1CCCCC1O,4.89,5.766417980194092,5.284131355932205,2266,4,0,1.0
OADMET-0004946,COCCC1(C)CN(C(=O)c2ncsc2-c2ccccc2)C1,4.56,4.831623872121175,4.821480836236933,2265,0,0,1.0
OADMET-0004945,O=C1C[C@H](c2ccccc2Cl)NC(=O)N1CC12CCC(CC1)O2,5.51,4.762989521026611,4.817948717948719,2264,1,1,2.0
OADMET-0004944,COc1ccc(-c2nc(C)c(C(C)NC(=O)NCc3c[nH]nc3C)s2)cc1,4.37,4.502972920735677,4.59815,2263,2,0,1.0
OADMET-0004943,Cc1cc(C)n(-c2ccc(-c3nc(C)nn3C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1,5.2,4.866284052530925,4.821480836236933,2262,3,0,1.0
OADMET-0004942,NC(=O)c1cc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)ccc1F,5.06,4.856925805409749,4.821480836236933,161,2,1,2.0
OADMET-0004941,CC(C)Oc1ccc(C(=O)NC(C)(C2CC2)C(F)(F)F)cn1,5.24,5.2848585446675616,5.067031249999999,692,2,0,1.0
OADMET-0004940,COc1ccc2c(c1)N(C(=O)C1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCCC2,5.67,4.452792803446452,4.5774358974358975,691,3,0,1.0
OADMET-0004939,COC(=O)c1ccc2c(c1)CCCCN2Cc1cnc2n1CCOC2,4.71,4.4135087331136065,4.543097826086957,2261,4,0,1.0
OADMET-0004938,CC(Oc1ccc(CO)cc1)c1cn(C(C)c2cccc(F)c2)nn1,5.01,4.376068909962972,4.477399999999999,496,3,0,1.0
OADMET-0004937,O=C(CC1=CCCCC1)N(Cc1ccccc1F)C1CCS(=O)(=O)C1,4.9,5.065781911214192,4.9999852507374625,2260,0,0,1.0
OADMET-0004936,COC(=O)C1CN(C(=O)Nc2ccn3cnnc3c2)Cc2ccccc21,3.97,3.7296480337778726,3.8408219178082192,2259,1,0,1.0
OADMET-0004935,O=C(O)CC1(NCc2csc(-c3ccc(Cl)cc3)n2)CCOCC1,3.78,4.038652340571086,4.092280701754386,2258,2,0,1.0
OADMET-0004934,CC(=O)NC(C)(C)c1noc(-c2cc(Cl)cc3c2OCC3)n1,4.83,4.985867977142334,4.998154761904762,690,4,0,1.0
OADMET-0004933,Cc1ccc2oc(CN(Cc3ccco3)C(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2c1,5.33,4.079159498214722,4.092280701754386,263,4,0,1.0
OADMET-0004932,CCn1cc(C2CSCCN2C(=O)C2CCC(C(F)(F)F)CC2)cn1,5.49,4.1974789301554365,4.355306748466257,2257,3,1,2.0
OADMET-0004931,COC(=O)C1CN(S(=O)(=O)N2CCCC2C)Cc2ccccc21,5.36,5.465450763702393,5.269615384615386,2256,4,0,1.0
OADMET-0004930,Cc1ccc2c(c1)CC(C(=O)Nc1ncc(Cl)cc1O)S2(=O)=O,4.1,4.622935136159261,4.776467889908257,2255,2,0,1.0
OADMET-0004929,O=C(CN1C(=O)NC(c2cccs2)(C2CC2)C1=O)NC(Cc1ccccc1)C(=O)NC1CC1,4.81,5.224109808603923,5.026367187500001,2254,1,0,1.0
OADMET-0004928,CP(C)(=O)C1CCN(c2ncc(C(F)(F)F)cc2S(=O)(=O)N2CCCC2C2CC2)CC1,5.55,5.8564534187316895,5.55,2253,1,0,1.0
OADMET-0004927,CC1(C)OCC(CNC(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)O1,4.81,4.817051251729329,4.821480836236933,2252,2,0,1.0
OADMET-0004926,O=C(c1onc2c1CCCC2)N1COCCC1c1ccccc1,5.54,5.143009662628174,4.9999852507374625,165,4,0,1.0
OADMET-0004925,COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1c(C)nc2ccccn12,5.2,4.682228883107503,4.817948717948719,108,0,0,1.0
OADMET-0004924,CC(O)C(C)CNC(=O)CSc1nc2ccccc2nc1N1CCOCC1,4.3,4.7733809153238935,4.821480836236933,2251,3,0,1.0
OADMET-0004923,COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cc(=O)nc(SC)[nH]2)cc1,4.4,4.246088186899821,4.355306748466257,517,4,1,2.0
OADMET-0004922,O=C(NCc1cccc2[nH]ccc12)Nc1cccc(N2CCCC2)c1,5.34,4.617579936981201,4.776467889908257,2250,4,0,1.0
OADMET-0004921,COc1cccc(NC(=O)N2CCC(C)C(n3ccnc3)C2)c1C,4.72,4.494165420532227,4.59815,662,4,0,1.0
OADMET-0004920,Cc1cccc(-n2nc(Cc3ccccc3)nc2[C@H]2C[C@@H](O)C2)c1,4.68,4.721744378407796,4.817948717948719,2249,0,0,1.0
OADMET-0004919,CN(C(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(F)cn1,4.65,4.521119594573975,4.59815,2248,1,0,1.0
OADMET-0004918,O=C(NC1CCN(c2cccc(Cl)c2)C1)c1cnn2cccnc12,4.53,4.769309679667155,4.821480836236933,100,2,0,1.0
OADMET-0004917,CC(CO)CNC(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-],4.65,4.913147767384847,4.860652173913044,223,4,0,1.0
OADMET-0004916,O=C(NC1CCOc2ccc(F)cc21)c1ccc2c(c1)CC(c1ccccc1)OC2=O,4.79,4.985686143239339,4.998154761904762,308,0,0,1.0
OADMET-0004915,COCC1(C(=O)N2CCN(c3ccccc3C#N)CC2)CCC1,5.19,5.580877145131429,5.284131355932205,2247,2,0,1.0
OADMET-0004914,CCC(C)C(NC(=O)CSc1nnnn1-c1ccc(C)cc1)C(=O)OC,5.16,4.865075747172038,4.821480836236933,2246,3,0,1.0
OADMET-0004913,CC1CCCCC1c1nc(-c2nnc[nH]2)nn1Cc1cc(F)cc(F)c1,5.23,5.342904090881348,5.2117424242424235,2245,4,0,1.0
OADMET-0004912,CCCc1c(-c2nc(CC3(C)CC3(F)F)no2)nnn1CC,5.47,4.153915564219157,4.355306748466257,2244,0,0,1.0
OADMET-0004911,CC(C)=CCCC(C)CC(=O)Nc1ccccc1C1CNC(=O)C1,5.16,5.152235190073649,4.9999852507374625,2243,1,0,1.0
OADMET-0004910,Cc1cccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2C)c1,5.09,4.806620756785075,4.821480836236933,2242,2,0,1.0
OADMET-0004909,COc1ccccc1OCC(O)Cn1nnn(C2CCCC2)c1=O,5.15,4.565995057423909,4.682475247524752,260,4,0,1.0
OADMET-0004908,CO[C@@H](C)c1nc(-c2cccc(S(=O)(=O)NC(C)C)c2)no1,5.58,4.952619393666585,4.988000000000001,184,1,0,1.0
OADMET-0004907,CC(=O)Nc1ccc(NCc2ccc(-c3c(F)cccc3F)o2)cc1,4.76,3.872769912083944,3.916360294117648,2241,3,0,1.0
OADMET-0004906,Cc1cccnc1NCc1nc(C(F)(F)F)n2c1CCCC2,5.1,5.005663553873698,4.998154761904762,689,0,0,1.0
OADMET-0004905,CC(C)(C)c1cn(CCS(=O)(=O)Nc2ccccc2)nn1,5.08,5.568115870157878,5.284131355932205,2240,4,0,1.0
OADMET-0004904,O=C1Cc2cc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)ccc2N1,4.86,4.795126279195149,4.821480836236933,672,4,0,1.0
OADMET-0004903,Cc1cccnc1C(=O)NS(=O)(=O)c1cccc(Cl)c1Br,4.51,4.09465217590332,4.164821428571428,2239,0,1,2.0
OADMET-0004902,CC(C)(C)OC(=O)N1C2CCC1CC(CC(=O)NC(CO)c1ccc(F)cc1)C2,4.98,5.587828159332275,5.284131355932205,688,1,0,1.0
OADMET-0004901,Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C,4.66,4.8969418207804365,4.834642319277108,687,1,0,1.0
OADMET-0004900,O=C(c1ccccc1-c1ncn[nH]1)N1CCCCC1CCc1ccccc1,4.73,5.377007961273193,5.2117424242424235,173,4,0,1.0
OADMET-0004899,CCc1nnc(NC(=O)C(C)C(C)NC(=O)c2ccc3sccc3c2)s1,4.73,5.1650458971659345,4.9999852507374625,2238,1,0,1.0
OADMET-0004898,COc1cccnc1CNc1cc(C)c(C#N)c2nc3ccccc3n12,4.56,5.62329626083374,5.284131355932205,2237,2,0,1.0
OADMET-0004897,O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(Cc2nnnn2-c2ccccc2)CC1,5.12,4.813566207885742,4.821480836236933,11,3,0,1.0
OADMET-0004896,COC(=O)c1cccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)c1,4.77,5.490171114603679,5.284131355932205,2236,3,0,1.0
OADMET-0004895,CCn1ncc2c(C(=O)NCc3coc(-c4ccccc4)n3)cc(-c3ccccc3)nc21,4.63,5.440762837727864,5.262840909090909,2235,4,0,1.0
OADMET-0004894,CCn1cc(NC(=O)Cc2ccc(C)c(Cl)c2)c(C(N)=O)n1,4.73,4.834301630655925,4.821480836236933,2234,0,0,1.0
OADMET-0004893,Cc1ccc(Br)cc1NC(=O)c1cnn2c1CC(CNC(=O)OC(C)(C)C)CC2,5.17,5.405741055806478,5.234230769230769,2233,4,0,1.0
OADMET-0004892,Cc1ccc(NC(=O)C2CCCN(CC(F)(F)F)C2)cc1-n1cnnn1,5.08,4.478347619374593,4.59815,2232,0,0,1.0
OADMET-0004891,Cc1ccc(S(=O)(=O)NCC(O)c2ccc(O)cc2)c(C)c1,4.7,4.705053647359212,4.817948717948719,307,1,1,2.0
OADMET-0004890,O=C1CCC(c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)N1,4.66,5.4359367688496905,5.262840909090909,2231,1,0,1.0
OADMET-0004889,O=C(NCc1ccn(-c2ccccc2)n1)c1cc2cc(F)ccc2[nH]1,4.38,5.1348114013671875,4.9999852507374625,31,3,0,1.0
OADMET-0004888,O=C(Nc1ccc2[nH]ncc2c1)c1ccccc1Sc1ccccc1,4.59,5.100532213846843,4.9999852507374625,249,1,0,1.0
OADMET-0004887,Cc1c(C(=O)N2C(C)CCS2(=O)=O)cnn1-c1ccccc1,5.02,4.979716142018636,4.988000000000001,2230,3,0,1.0
OADMET-0004886,Cc1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)ccc1NC(=O)c1ccco1,4.25,3.868053754170736,3.916360294117648,2229,2,0,1.0
OADMET-0004885,CN(CCNc1ccccn1)C(=O)CCc1cccc(O)c1,4.72,4.598312854766846,4.776467889908257,2228,3,0,1.0
OADMET-0004884,N#Cc1cc(F)ccc1N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1,5.09,4.637097358703613,4.776467889908257,686,0,1,2.0
OADMET-0004883,Cn1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1ccccc1Cl,4.76,4.8924934069315595,4.834642319277108,2227,4,0,1.0
OADMET-0004882,Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCc2ccc(C)n(C)c2=O)n1,4.49,5.052139759063721,4.9999852507374625,2226,0,0,1.0
OADMET-0004881,O=C1OCCN1c1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1F,4.42,4.704850832621257,4.817948717948719,2225,1,0,1.0
OADMET-0004880,CC1(NC(=O)Nc2ccc3ccccc3n2)CCCOC1,4.93,4.851014296213786,4.821480836236933,2224,2,0,1.0
OADMET-0004879,COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)c1csc(C)c1,4.86,4.301848252614339,4.47620253164557,685,4,0,1.0
OADMET-0004878,O=S(=O)(c1ccccc1F)N1CC(Oc2ccccc2Cl)C1,4.72,5.445522944132487,5.262840909090909,349,0,1,2.0
OADMET-0004877,O=S(=O)(Nc1ccn(-c2ncccc2F)n1)c1ccc(OC(F)(F)F)cc1,4.11,4.740572293599446,4.817948717948719,2223,3,0,1.0
OADMET-0004876,O=C1NCC2(CCCC2)C(=O)N1CCc1ccc(F)cc1F,4.8,4.9626994132995605,4.988000000000001,2222,4,1,2.0
OADMET-0004875,Cc1ccccc1Nc1nc(CN2CCO[C@H](C)[C@H]2C(N)=O)cs1,4.65,4.690637429555257,4.817948717948719,2221,0,0,1.0
OADMET-0004874,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(-n2nccn2)nc1,4.89,5.275433699289958,5.067031249999999,2220,1,0,1.0
OADMET-0004873,COC1CCCN(CC(=O)Nc2ccccc2C(C)C)CC1,5.01,4.730628967285156,4.817948717948719,306,3,1,2.0
OADMET-0004872,Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3CC34CC(O)C4)cc12,4.77,4.9776871999104815,4.988000000000001,2219,2,0,1.0
OADMET-0004871,O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)C1(c2ccccc2)CCC1,5.27,5.037694931030273,4.9999852507374625,2218,3,1,2.0
OADMET-0004870,CC1C(=O)N(CCc2cccc(C(F)(F)F)n2)C(=O)N1C1CCC1,4.79,5.282105445861816,5.067031249999999,675,1,0,1.0
OADMET-0004869,C=CCNc1c(C(=O)N2CC3CC3C2)nnc2ccccc12,4.92,5.171811421712239,4.9999852507374625,2217,4,0,1.0
OADMET-0004868,CCc1ccccc1S(=O)(=O)NCC(=O)NC(C)c1ccccn1,4.71,5.085424900054932,4.9999852507374625,2216,0,1,2.0
OADMET-0004867,O=C(NCCc1ccc(O)c(CO)c1)Nc1ccc2c(c1)CCC2,4.05,4.789660930633545,4.821480836236933,2215,1,0,1.0
OADMET-0004866,C[C@H](NC(=O)Cc1cnn(-c2ccccc2)n1)c1ccc(C(F)(F)F)nc1,4.51,4.743420124053955,4.817948717948719,2214,2,0,1.0
OADMET-0004865,COC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C,5.37,4.9745097160339355,4.988000000000001,2213,3,0,1.0
OADMET-0004864,C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1nc(C(F)(F)F)ns1,4.2,4.7649885813395185,4.817948717948719,2212,4,0,1.0
OADMET-0004863,Cc1ccc(CN(C(=O)c2ncc(F)cn2)C(C)C)cc1,4.9,4.978357632954915,4.988000000000001,2211,0,0,1.0
OADMET-0004862,CN(Cc1ccccc1)C(=O)N1CCC(Oc2ncccc2F)CC1,4.54,4.705203692118327,4.817948717948719,684,2,0,1.0
OADMET-0004861,CC(C)c1ccnc(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)n1,5.52,4.4064459800720215,4.543097826086957,92,0,1,2.0
OADMET-0004860,O=C(CCC(=O)N1CCC(O)CC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl,4.22,5.127604961395264,4.9999852507374625,2210,1,0,1.0
OADMET-0004859,CC(=O)N1CCCC(c2nc(-c3cccc(N4CCCC4=O)c3)cs2)C1,5.29,5.207577705383301,5.026367187500001,683,3,0,1.0
OADMET-0004858,CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1,5.27,5.14994478225708,4.9999852507374625,161,2,0,1.0
OADMET-0004857,Cc1cc(NC(=O)C(c2ccccc2)N(C)CCCn2ccnc2)no1,4.97,4.297683080037435,4.47620253164557,47,0,0,1.0
OADMET-0004856,Cc1cn(C(C)C)nc1NC(=O)Cc1cn2c(n1)CCCC2,4.49,4.475189367930095,4.59815,644,0,0,1.0
OADMET-0004855,Cc1cn(C(C)C)nc1NC(=O)c1cccn1Cc1ccncc1,4.97,3.7644983927408853,3.8408219178082192,2209,0,0,1.0
OADMET-0004854,O=C1CCc2cc(-c3cccc(O)c3F)cc3c2N1CCC3,4.05,5.149965286254883,4.9999852507374625,2208,4,0,1.0
OADMET-0004853,COc1ccc2c(c1)OCCN(C(=O)Nc1ncc(C)s1)C2,4.37,4.284360567728679,4.355306748466257,275,0,1,2.0
OADMET-0004852,COc1ccc(OC)c(C2CCCN2C(=O)CCc2nc(-c3nnc[nH]3)no2)c1,5.61,3.9895835717519126,4.031000000000001,304,1,0,1.0
OADMET-0004851,COc1cc(F)c(NC(=O)N2CCOC(C)(c3ccccc3)C2)cc1F,4.86,4.476169427235921,4.59815,167,2,0,1.0
OADMET-0004850,COC1(CNC(C(=O)Nc2cc(C)on2)c2ccccc2)CCC(F)(F)CC1,5.0,5.195148785909017,5.026367187500001,2207,3,0,1.0
OADMET-0004849,COC(=O)[C@@H](NC(=O)CN1CC(OC)C(C)(C)C1)C(C)C,4.3,5.100152015686035,4.9999852507374625,2206,3,0,1.0
OADMET-0004848,CC(C)n1ncc2cc(S(=O)(=O)N3CCN(C)CC3c3ccccc3)ccc21,4.81,5.1281436284383135,4.9999852507374625,63,3,0,1.0
OADMET-0004847,COc1cccc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)n1,4.48,5.199350516001384,5.026367187500001,682,3,0,1.0
OADMET-0004846,CCC(CC)n1nccc1C(=O)NCC(C)(C)c1ccc(C)cn1,4.95,5.372514883677165,5.2117424242424235,555,1,0,1.0
OADMET-0004845,Cc1nc2cc(N(C)C(=O)c3cc(-c4ccc(Cl)cc4)nn3CC3CC3)ccc2[nH]1,5.4,4.67419417699178,4.817948717948719,2205,4,0,1.0
OADMET-0004844,COc1cccc(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)c1,5.37,5.623160362243652,5.284131355932205,2204,0,0,1.0
OADMET-0004843,O=C(c1cn2ccccc2n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,5.24,5.329408486684163,5.16875,160,3,0,1.0
OADMET-0004842,CC(Cn1ncc2ccccc21)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1,5.11,4.828610897064209,4.821480836236933,64,1,0,1.0
OADMET-0004841,COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1F,5.41,4.938594659169515,4.988000000000001,2203,1,0,1.0
OADMET-0004840,OC1(c2nc(-c3cccc(OCc4cccnc4)c3)no2)CCCCC1,4.95,3.5600698788960776,3.5503846153846155,2202,2,0,1.0
OADMET-0004839,Nc1nccc(C2CCCN(C(=O)c3coc(C4CCCCC4)n3)C2)n1,5.06,4.747451464335124,4.817948717948719,305,3,0,1.0
OADMET-0004838,CC(NC(=O)N1CCC(C2CCCC2)C1)c1nnc(C(F)(F)F)[nH]1,5.09,5.147085507710774,4.9999852507374625,665,3,0,1.0
OADMET-0004837,CN1CCN(S(=O)(=O)c2cnn(C3CCCC3)c2)C(c2ccccc2)C1,5.37,4.840012073516846,4.821480836236933,63,3,0,1.0
OADMET-0004836,Cc1sc2nc(-c3cccnc3)nc(N3CCC(S(N)(=O)=O)C3)c2c1C,4.11,4.042995611826579,4.092280701754386,2201,3,1,2.0
OADMET-0004835,CC(Sc1ncc(-c2ccccc2)n1CC1CCCO1)c1ncccn1,5.28,5.041438261667888,4.9999852507374625,2200,4,0,1.0
OADMET-0004834,CCC(CC)(CO)c1nc(-c2ccc(N(C)C)nc2)no1,4.64,4.587252616882324,4.7175,2199,0,0,1.0
OADMET-0004833,Cn1ncc2c1CC(C)(C)CN(C(=O)NCc1ccc(Br)s1)C2,5.21,5.018465360005696,4.998154761904762,274,3,0,1.0
OADMET-0004832,COc1ccc(C(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)c2c[nH]c3ccccc23)cc1,4.81,5.260960578918457,5.067031249999999,681,2,0,1.0
OADMET-0004831,FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1nccs1,4.42,5.1281100908915205,4.9999852507374625,2198,1,0,1.0
OADMET-0004830,CCOc1nc(C)ccc1C(=O)N1CCCC1c1csc(C)n1,4.67,5.189566771189372,5.026367187500001,680,2,0,1.0
OADMET-0004829,CC1CN(c2nc3ccccc3nc2N2CCC(C(N)=O)C2)CC(C)O1,4.49,3.1308022340138755,3.0979268292682924,2197,2,0,1.0
OADMET-0004828,COc1ccc(C)cc1S(=O)(=O)N1CCN(C2CCOCC2)C[C@H]1C,4.46,5.0776597658793134,4.9999852507374625,679,4,1,2.0
OADMET-0004827,Cc1cccc(S(=O)(=O)NC(c2c(C)nn(C)c2C)C(F)(F)F)c1,4.97,4.93590513865153,4.888,2196,2,0,1.0
OADMET-0004826,Cc1cc(C2CCCN2C(=O)CCc2nc(-c3ccco3)no2)no1,5.03,4.707933266957601,4.817948717948719,141,2,0,1.0
OADMET-0004825,Cc1ccc(-c2c[nH]cc2C(=O)NCC2(N3CCOCC3)CCCCC2)s1,5.3,4.4678263664245605,4.5774358974358975,678,3,0,1.0
OADMET-0004824,Cn1cnnc1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1,4.13,4.687704086303711,4.817948717948719,2195,4,0,1.0
OADMET-0004823,Cn1nc(C2CCCCC2)cc1NS(=O)(=O)CCc1ccccc1,4.24,5.0394361813863116,4.9999852507374625,677,0,0,1.0
OADMET-0004822,CCc1nnc(N2CCC(C3(NC(=O)CNC(=O)OC)CC3)CC2)nc1CC,3.92,3.657435655593872,3.575,2194,0,0,1.0
OADMET-0004821,O=C1NC2(CCCCC2)C(=O)N1C1CCN(c2ccc(Cl)cc2Cl)C1,4.73,4.750484784444173,4.817948717948719,2193,1,0,1.0
OADMET-0004820,CCCNS(=O)(=O)N1CCN(c2ccc(F)cc2OC)CC1,4.93,4.607644716898601,4.776467889908257,2192,2,0,1.0
OADMET-0004819,COc1ccccc1N1CCC(NC(=O)NCc2ccc(C(N)=O)cc2)C1=O,4.63,4.271643161773682,4.355306748466257,2191,3,0,1.0
OADMET-0004818,Cn1c(C(=O)N2CCCC(S(C)(=O)=O)C2)c(Cl)c2ccccc21,4.88,5.074464797973633,4.9999852507374625,2190,4,0,1.0
OADMET-0004817,CC1(C(=O)NCC2(CO)CC3(CCC3)C2)CC(c2ccccc2)=NO1,4.78,4.496082782745361,4.59815,2189,0,0,1.0
OADMET-0004816,Cc1cc(S(=O)(=O)NCC2CCOC3(CCC3)C2)c(F)cc1F,4.64,5.207065582275391,5.026367187500001,2188,1,0,1.0
OADMET-0004815,O=C(NCc1cccc(O)c1)c1sc2ccccc2c1Cl,4.8,4.832650184631348,4.821480836236933,33,4,1,2.0
OADMET-0004814,CC1NC(c2nc(C3(c4ccncc4)CCC3)no2)=NN(c2ccccc2)C1=O,4.83,4.422783215840657,4.543097826086957,334,0,0,1.0
OADMET-0004813,COc1cccc(C2(NC(=O)NCc3c4c(nn3C)CCCC4)CCC2)c1,5.17,5.417564233144124,5.262777777777777,2187,2,0,1.0
OADMET-0004812,CN(C)C(=O)c1cccc(NC(=O)CN2CC(O)Cc3ccccc32)c1,4.72,4.678168137868245,4.817948717948719,2186,1,0,1.0
OADMET-0004811,COc1ccc(Cn2ccc(NC(=O)C3C4CCCC43)n2)cc1,4.76,4.869898001352946,4.821480836236933,2185,2,0,1.0
OADMET-0004810,Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(n2ccnn2)CC1,4.49,4.52758248647054,4.619999999999999,39,2,1,2.0
OADMET-0004809,CCn1ncc(C)c1NS(=O)(=O)CCc1cccc(F)c1,4.53,4.942383925120036,4.988000000000001,676,4,0,1.0
OADMET-0004808,CC1CN(c2cccc(F)c2)CCN1C(=O)c1ccccc1-n1ccnn1,4.51,5.250201225280762,5.026367187500001,2184,3,0,1.0
OADMET-0004807,Cc1cccc(N(C)S(=O)(=O)c2cnn(C3CCC3)c2)n1,4.59,5.136559963226318,4.9999852507374625,63,3,1,2.0
OADMET-0004806,COc1ccc(Cc2nc(-c3ccc(OC)nn3)no2)c(C)c1,4.11,4.277454694112142,4.355306748466257,2183,1,0,1.0
OADMET-0004805,COCC1(O)CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)CC1,5.0,4.999091625213623,4.998154761904762,2182,3,0,1.0
OADMET-0004804,CCc1ccc(NC(=O)CN2CC(=O)N(C)c3ccccc3C2)cc1,4.67,4.440476576487224,4.543097826086957,2181,4,1,2.0
OADMET-0004803,COc1ccc2oc(C)c(C(=O)NCC3(N(C)C)Cc4ccccc4C3)c2c1,5.2,4.957377592722575,4.988000000000001,2180,0,0,1.0
OADMET-0004802,Cc1cnn(CCC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1,4.67,4.487080891927083,4.59815,104,1,1,2.0
OADMET-0004801,CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(C)C1c1nccn1C,4.99,5.2375264167785645,5.026367187500001,2179,1,0,1.0
OADMET-0004800,CC(C)Cc1nc(C(=O)N2CC(O)CC2c2ccccc2)cs1,4.44,5.280516147613525,5.067031249999999,2178,2,0,1.0
OADMET-0004799,O=C(c1ccnn1CC(F)F)N1CCCC1c1cccc(F)c1,5.38,5.515181223551433,5.284131355932205,170,1,0,1.0
OADMET-0004798,COc1ccc(CCC(=O)N2CCCN(C(=O)c3coc(C4CC4)n3)CC2)cc1,4.63,5.009226481119792,4.998154761904762,305,3,0,1.0
OADMET-0004797,CC(C)(C)c1nc(CCNC(=O)C(c2cccc(F)c2)N2CCOCC2)cs1,5.19,5.590306440989177,5.284131355932205,2177,3,0,1.0
OADMET-0004796,Cc1nccc(N2CCN(c3cc(N4CCCC4CO)ncn3)CC2)n1,4.72,2.931743939717611,2.811071428571428,154,3,0,1.0
OADMET-0004795,Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)O)c2ccccc21,4.66,4.75396712621053,4.817948717948719,2176,4,0,1.0
OADMET-0004794,Cc1noc(C)c1C(=O)N1CCCC1C(C#N)c1ccccc1,4.58,5.601700941721599,5.284131355932205,639,0,0,1.0
OADMET-0004793,CCn1ncc(Cl)c1-c1nc(Cc2ccccc2OC)no1,4.66,5.061084270477295,4.9999852507374625,2175,0,0,1.0
OADMET-0004792,COCc1nocc1CN1CCC(=O)N(CC2CCCC2(F)F)C1=O,4.04,3.820692698160807,3.916360294117648,2174,1,0,1.0
OADMET-0004791,O=C(NCc1ccccc1C(F)(F)F)N1CCCN(C(=O)C2CC2)CC1,4.79,5.406952381134033,5.234230769230769,62,4,0,1.0
OADMET-0004790,CCc1ccc(C2COCCN2C(=O)c2ccc(N3CCC(C)=N3)cc2)o1,5.31,4.696703592936198,4.817948717948719,2173,2,0,1.0
OADMET-0004789,COc1ccccc1[C@H](O)CNC1CCc2cc(F)c(Cl)cc21,5.06,5.2140852610270185,5.026367187500001,2172,3,1,2.0
OADMET-0004788,CC(NC(=O)NCC1CCOC1(C)C)c1cc(Cl)ccc1Cl,5.12,5.29315169652303,5.067031249999999,2171,4,0,1.0
OADMET-0004787,COc1cccc(C(C)C(=O)N2CCCC(c3cn(C)nn3)C2)c1,4.75,4.583409309387207,4.682475247524752,2170,0,0,1.0
OADMET-0004786,Cc1cc(Cn2c(-c3ccccc3)nnc2N2C[C@H]3CCC[C@H]3C2)no1,5.01,5.399931271870931,5.234230769230769,2169,1,0,1.0
OADMET-0004785,Cc1ccc(-c2nc(-c3cccnn3)n(CC(F)F)n2)cc1Br,4.37,5.155409812927246,4.9999852507374625,2168,2,0,1.0
OADMET-0004784,COC(=O)Cc1nn(C)c(C)c1-c1cccc(OC)c1OC,4.73,4.297188758850098,4.47620253164557,2167,3,0,1.0
OADMET-0004783,Cc1ccc(S(=O)(=O)N(C)C(C)c2ccccn2)c(C)c1,4.91,5.5610324541727705,5.284131355932205,2166,4,0,1.0
OADMET-0004782,CCCC(C)c1cc(NS(=O)(=O)c2cncc(C(=O)OC)c2)[nH]n1,4.22,4.110906442006429,4.164821428571428,252,2,0,1.0
OADMET-0004781,CC1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)C(=O)N1C1CCC1,4.7,4.381197929382324,4.477399999999999,675,1,0,1.0
OADMET-0004780,CC(C)c1nc(C(=O)Nc2ccccc2C(=O)O)nn1-c1cccc(F)c1,5.58,3.9461711247762046,3.916360294117648,2165,0,0,1.0
OADMET-0004779,CC(Sc1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1,4.93,4.951236724853516,4.988000000000001,332,2,0,1.0
OADMET-0004778,CCCCO[C@H]1CC[C@H](NC(=O)c2ccn3c(C)cc(C)nc23)CC1,4.74,4.879352728525798,4.821480836236933,2164,1,0,1.0
OADMET-0004777,CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2ccc3c(c2)CCO3)n1,4.93,5.959776719411214,5.6371875000000005,2163,2,0,1.0
OADMET-0004776,Cc1noc(C)c1C(C)c1nc(CCCOc2cccc3ccccc23)no1,4.98,5.062686284383138,4.9999852507374625,2162,0,0,1.0
OADMET-0004775,CCc1cc(C(=O)NCCc2c(C)[nH]c3c(Cl)ccc(Cl)c23)cc(=O)[nH]1,5.16,4.807581424713135,4.821480836236933,2161,4,0,1.0
OADMET-0004774,CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)c1cccc(F)c1,4.72,5.453913688659668,5.262840909090909,2160,4,0,1.0
OADMET-0004773,O=C1COc2c(NCCCOc3ccc(Cl)cc3)cc(Cl)cc2N1,4.76,4.678658485412598,4.817948717948719,2159,0,0,1.0
OADMET-0004772,CC(C)n1ncc2cc(C(=O)N3CCOCc4ccccc43)cnc21,4.68,4.7975395520528155,4.821480836236933,2158,1,0,1.0
OADMET-0004771,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2Cl)CC1,4.63,3.5328261852264404,3.5503846153846155,159,4,1,2.0
OADMET-0004770,N#Cc1cccc(-n2nc(CCCO)nc2-c2ccc(Cc3ccccc3)cc2)c1,4.15,4.335652033487956,4.47620253164557,2157,2,0,1.0
OADMET-0004769,Cn1c(=O)oc2c(C(=O)N[C@H]3c4ccccc4CC[C@H]3O)cccc21,4.76,4.6758036613464355,4.817948717948719,163,1,0,1.0
OADMET-0004768,CC1(C)CC(c2ccccc2)CN1C(=O)c1nnc(C2CC2)o1,4.58,5.062764962514241,4.9999852507374625,2156,3,0,1.0
OADMET-0004767,O=C(NC(c1ccccc1)c1ccc2[nH]cnc2c1)C1CCN(c2ccccc2F)C1,5.32,4.235652128855388,4.355306748466257,97,0,0,1.0
OADMET-0004766,Cc1ccc(C(C)NC(=O)CN2CCOC3(CCOCC3)C2)cc1C,3.97,4.725384553273519,4.817948717948719,2155,4,0,1.0
OADMET-0004765,Cc1cc(NC(c2ccccc2)c2nnc[nH]2)cc(C)c1Cl,4.85,5.194099585215251,5.026367187500001,668,1,0,1.0
OADMET-0004764,CN(C)C(=O)c1cnc(NCCOC2CCCCCC2)c(Cl)c1,4.95,4.478498617808024,4.59815,2154,0,0,1.0
OADMET-0004763,CC(c1nc(Cc2cccnc2)no1)N1CCc2ccccc21,4.91,4.844224294026692,4.821480836236933,674,3,0,1.0
OADMET-0004762,O=C(NC1CC(F)(F)C1)NC1CCCOc2cc(Cl)ccc21,4.8,5.370730876922607,5.2117424242424235,60,4,0,1.0
OADMET-0004761,Cc1cc(C)cc(CNC(=O)NCC2CCCC(C)O2)c1,4.61,5.174659887949626,4.9999852507374625,2153,1,0,1.0
OADMET-0004760,Cn1c(=O)oc2cc(S(=O)(=O)Nc3cnc(C(C)(C)C)nc3)ccc21,5.27,4.627015113830566,4.776467889908257,673,4,1,2.0
OADMET-0004759,Cc1c[nH]c(=O)c(CNC(=O)NC(c2ccccc2)C2CCCC2)c1,4.96,4.8857622146606445,4.821480836236933,2152,2,0,1.0
OADMET-0004758,O=C(Nc1cnn2cccnc12)C(=O)N1CCCCC1c1ccc(Br)cc1,4.96,5.454726060231526,5.262840909090909,2151,3,0,1.0
OADMET-0004757,CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)c2ccccc2O1,4.55,5.601855436960856,5.284131355932205,2150,4,0,1.0
OADMET-0004756,Cc1cnn(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1,4.5,5.791601339975993,5.284131355932205,2149,0,0,1.0
OADMET-0004755,Cc1cc(Cl)c(NC(=O)N2CCCC(C3CCCCO3)C2)cc1Cl,5.18,5.077867190043132,4.9999852507374625,287,4,0,1.0
OADMET-0004754,Cc1c(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cccc1-c1ncco1,4.82,4.3889115651448565,4.477399999999999,672,4,0,1.0
OADMET-0004753,Brc1cccc2c1CCC2NCc1noc2c1COCC2,5.06,5.205761591593425,5.026367187500001,319,4,0,1.0
OADMET-0004752,COc1ccccc1-c1nn(C)cc1C(=O)Nc1ncc(-c2ccccn2)s1,4.45,4.412070433298747,4.543097826086957,149,1,0,1.0
OADMET-0004751,Cc1c(CNC(=O)c2cccc(-n3cnnn3)c2)oc2ccc(F)cc12,4.99,4.4173000653584795,4.543097826086957,76,2,1,2.0
OADMET-0004750,CCc1cc(S(=O)(=O)N2CC(OCCO)C2)c(C)cc1OC,3.92,4.853185812632243,4.821480836236933,671,0,1,2.0
OADMET-0004749,COCC(C)c1nc(C2(c3ccc(C)cc3)CCOCC2)no1,4.26,4.73432715733846,4.817948717948719,328,2,0,1.0
OADMET-0004748,Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]1c1ccccc1,5.11,4.752163728078206,4.817948717948719,670,3,0,1.0
OADMET-0004747,O=C(NCc1nccn1CC(F)(F)F)c1cccc2c1OCC2,4.69,4.924190203348796,4.888,158,4,0,1.0
OADMET-0004746,CCn1ccnc1-c1cn([C@@H]2c3cc(OC)ccc3CC[C@H]2O)nn1,5.04,5.0329844156901045,4.9999852507374625,2148,1,0,1.0
OADMET-0004745,NC(=O)c1oc2ccccc2c1NC(=O)CCC=Cc1ccccc1,4.35,5.323947588602702,5.067031249999999,2147,2,0,1.0
OADMET-0004744,Cc1ccc(Cc2noc(CC3CC(=O)Nc4ccccc43)n2)cc1C,4.4,4.582601070404053,4.682475247524752,2146,3,0,1.0
OADMET-0004743,COc1ccc(OC)c(C2CCCN2C(=O)C(C)S(C)(=O)=O)c1,4.97,4.908896764119466,4.860652173913044,304,1,0,1.0
OADMET-0004742,Cc1cnc(-c2cn(CC3COc4ccccc4O3)nn2)c(C)c1,4.98,4.693320274353027,4.817948717948719,2145,4,0,1.0
OADMET-0004741,Fc1ccc(-c2cn(C[C@]34C[C@H]3CCC4(F)F)nn2)c(Cl)c1,4.94,4.7925004959106445,4.821480836236933,2144,0,0,1.0
OADMET-0004740,CCOCCC1(CN(Cc2cc[nH]n2)c2ncnc(C)c2F)CC1,4.81,4.229662259419759,4.355306748466257,2143,1,0,1.0
OADMET-0004739,O=S(=O)(Cc1cc(Cc2ccccc2)on1)c1ccccc1,4.77,5.352583885192871,5.2117424242424235,2142,2,0,1.0
OADMET-0004738,O=C(NCc1ccoc1)N1CCC(c2c[nH]c3ccccc23)CC1,4.31,3.877702792485555,3.916360294117648,584,2,1,2.0
OADMET-0004737,CC(C)(C)n1cc(Cn2cc(Cc3ccccc3)nn2)cn1,4.78,4.6644062995910645,4.817948717948719,2141,3,0,1.0
OADMET-0004736,FC(F)(F)[C@@H]1C[C@H]1Cn1cc(-c2ccn(C3CCC3)n2)nn1,4.33,4.417832851409912,4.543097826086957,2140,3,0,1.0
OADMET-0004735,O=S1(=O)CCC(c2csc(Cc3cccc4ccccc34)n2)C1,4.25,5.3068216641743975,5.067031249999999,2139,0,0,1.0
OADMET-0004734,Cc1nnc(-c2ccccc2C(=O)N(C)C2CCc3ccccc3C2)o1,4.61,4.609914620717366,4.776467889908257,669,0,0,1.0
OADMET-0004733,CC1(C)CCC(O)(CNC(c2ccccc2)c2nnc[nH]2)CC1,4.23,4.791697184244792,4.821480836236933,668,1,0,1.0
OADMET-0004732,CC(C)c1cccc(Nc2nc(C3COCCO3)cs2)c1,4.95,5.7598334948221845,5.284131355932205,2138,0,0,1.0
OADMET-0004731,CN1CCc2cc(NC(=O)CC3CCc4ccccc43)ccc2C1=O,5.25,5.482519785563151,5.284131355932205,667,4,0,1.0
OADMET-0004730,Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)C(=O)NCC4)c2)c1,5.33,4.907679398854573,4.860652173913044,303,2,0,1.0
OADMET-0004729,CCC1CCC(CNC(=O)C2(Cc3cnn[nH]3)CCOCC2)CC1,3.95,3.985286076863607,4.031000000000001,2137,4,0,1.0
OADMET-0004728,Cn1cc2c(n1)CCCC2C(=O)N1CCCC(c2nnc3n2CCCCC3)C1,4.34,4.1935679117838545,4.355306748466257,2136,4,0,1.0
OADMET-0004727,Cc1csc(-c2cccc(S(=O)(=O)N3CCCC3CO)c2)n1,5.01,5.673967202504476,5.284131355932205,436,2,0,1.0
OADMET-0004726,CS(=O)(=O)c1ccccc1N1CCCC1c1ccccn1,4.89,5.5013322830200195,5.284131355932205,2135,0,0,1.0
OADMET-0004725,CCC1CN(C(=O)NCc2noc3c2CCCC3)CC(CC)O1,4.38,4.9605943361918134,4.988000000000001,2134,1,0,1.0
OADMET-0004724,O=S1(=O)CCC(CNc2ccccc2OCC2CCCCC2)C1,4.43,5.75025733311971,5.284131355932205,2133,2,0,1.0
OADMET-0004723,Fc1cc2cc[nH]c2c(F)c1-c1cnn(C2CCCCO2)c1,4.31,4.513534386952718,4.59815,2132,3,0,1.0
OADMET-0004722,CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2nnc3n2CCOC3)c1,4.49,5.182264486948649,5.026367187500001,2131,4,0,1.0
OADMET-0004721,CN(C(=O)CCn1ccc2cccnc21)c1cccc2cc[nH]c12,5.41,5.255972385406494,5.067031249999999,2130,0,0,1.0
OADMET-0004720,O=C(NCCNC(=O)c1cc(F)cc2cccnc12)c1ccc(O)cc1,4.59,4.070805311203003,4.092280701754386,666,2,0,1.0
OADMET-0004719,COc1cc(F)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1F,4.64,4.62120262781779,4.776467889908257,273,2,0,1.0
OADMET-0004718,Cc1cc(C(=O)NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)oc1C,4.38,5.255668481190999,5.067031249999999,2129,1,1,2.0
OADMET-0004717,CCC1CCCCC1OCC(=O)N(C)Cc1cnccn1,4.68,4.804102261861165,4.821480836236933,2128,2,0,1.0
OADMET-0004716,O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1,4.29,3.5247493584950766,3.4971951219512194,112,4,0,1.0
OADMET-0004715,CC(C)(C)N1CCC(NC[C@H](O)c2ccc(Cl)cc2)C1=O,5.04,5.0669684410095215,4.9999852507374625,2127,3,1,2.0
OADMET-0004714,CC(C)(CNC(=O)NC1CCCNC1=O)c1ccccc1Br,4.41,5.319600900014241,5.067031249999999,2126,4,0,1.0
OADMET-0004713,N#Cc1ccc(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)cc1,3.82,4.995824495951335,4.998154761904762,2125,0,0,1.0
OADMET-0004712,COc1cccc(C(OC)C(=O)N(C)C(C)c2cccc(S(N)(=O)=O)c2)c1,4.39,4.916103998819987,4.860652173913044,302,0,1,2.0
OADMET-0004711,Cc1ccccc1C1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)C(C)CO1,4.9,5.277248382568359,5.067031249999999,2124,1,0,1.0
OADMET-0004710,CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1,4.56,4.059931834538777,4.092280701754386,11,3,0,1.0
OADMET-0004709,C[C@H](NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccnc1,4.48,3.8302176793416343,3.916360294117648,2123,2,1,2.0
OADMET-0004708,CCOC1CC(O)(CNC(=O)c2cnnn2-c2c(Cl)cccc2Cl)C1(C)C,4.97,4.685643990834554,4.817948717948719,331,1,0,1.0
OADMET-0004707,CC(Cc1ccc2ccccc2n1)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1,4.93,5.916578451792399,5.6371875000000005,2122,3,0,1.0
OADMET-0004706,CC(NC(=O)[C@H]1C[C@@]1(C)c1ccccc1)c1nnc(C(F)(F)F)[nH]1,4.44,5.19378121693929,5.026367187500001,665,3,0,1.0
OADMET-0004705,O=S1(=O)CCCC(Cn2cc(-c3ccc4c(c3)CCC4)nn2)C1,4.66,5.061817804972331,4.9999852507374625,2121,4,0,1.0
OADMET-0004704,CCC(=O)N(c1nnc(SCc2ccc(F)cc2)s1)C1CC1,4.75,5.952851295471191,5.6371875000000005,640,4,0,1.0
OADMET-0004703,CCCN(C(=O)Cc1ccc(F)c(Cl)c1)c1cccnc1,4.79,4.955317974090576,4.988000000000001,2120,0,0,1.0
OADMET-0004702,Cc1nc(NCC2(C)CCCCC2O)cc(-c2ccccn2)n1,4.85,4.592180093129476,4.776467889908257,2119,1,0,1.0
OADMET-0004701,CCOc1ccc(C2CCCN2C(=O)c2cccn2C)cc1,4.89,4.940074284871419,4.988000000000001,2118,2,0,1.0
OADMET-0004700,Cc1ccccc1-n1c(C)nnc1SCCOc1ccc(C#N)cc1,5.36,4.605422655741374,4.776467889908257,2117,3,0,1.0
OADMET-0004699,CC(C)(C(=O)N1CCC(COc2ccccc2)C1)c1cccnc1,5.04,4.570332050323486,4.682475247524752,398,3,0,1.0
OADMET-0004698,O=C(Nc1cc(-c2ccccc2F)on1)[C@H]1C[C@@H]1C1CCOCC1,4.23,4.363348642985026,4.477399999999999,2116,2,0,1.0
OADMET-0004697,CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1,5.03,4.60551659266154,4.776467889908257,2115,1,1,2.0
OADMET-0004696,O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(F)c(Cl)c1,4.21,4.749342759450276,4.817948717948719,664,3,1,2.0
OADMET-0004695,COc1cccc2sc(NC(=O)C3CCCOC3C)nc12,5.2,5.134761015574138,4.9999852507374625,301,3,1,2.0
OADMET-0004694,CCc1ccnc(C(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)c1,4.76,4.5864583651224775,4.682475247524752,300,0,0,1.0
OADMET-0004693,CC1(C)CC(C(=O)N2CCCn3nc(-c4ccccc4)nc32)C1,4.66,5.657236417134603,5.284131355932205,2114,0,0,1.0
OADMET-0004692,O=C(CCc1ccccn1)Nc1cnc2ccccc2c1,4.35,4.376397609710693,4.477399999999999,211,2,0,1.0
OADMET-0004691,c1ccc2oc(C3CCCCN3Cc3nnc4n3CCCCC4)nc2c1,4.13,5.136122703552246,4.9999852507374625,2113,0,0,1.0
OADMET-0004690,Cc1cc(F)ccc1-c1nnc([C@@H]2CCCO[C@H]2c2ccnn2C)o1,4.79,4.4647776285807295,4.5774358974358975,2112,1,0,1.0
OADMET-0004689,C=C(C)C1OCCC1CNC(=O)N1CCCC1c1nc2cc(C)ccc2[nH]1,4.22,5.2829030354817705,5.067031249999999,155,2,0,1.0
OADMET-0004688,O=C1COc2cccc(S(=O)(=O)Nc3cnc4c(c3)CCC4)c2N1,4.48,5.191861788431804,5.026367187500001,299,2,0,1.0
OADMET-0004687,CCC(C)(C)NC(=O)c1ccc(NC(=O)CC2OC(=O)c3ccccc32)cc1,4.05,5.145016670227051,4.9999852507374625,2111,2,0,1.0
OADMET-0004686,CC(C)CC1C(=O)NCCN1S(=O)(=O)c1c(Cl)ccc(F)c1F,4.89,5.269816875457764,5.067031249999999,2110,3,0,1.0
OADMET-0004685,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CC(=O)N(C(C)C)C1=O,4.63,5.402234395345052,5.234230769230769,663,2,1,2.0
OADMET-0004684,N#CC1(C2CCCC2)CCN(C(=O)C2CCNc3ccccc3C2)CC1,5.0,4.357829570770264,4.477399999999999,2109,4,0,1.0
OADMET-0004683,Cn1nnc2cc(C(=O)N3CCCC(n4ccc(C(F)(F)F)n4)C3)ccc21,5.31,4.145127773284912,4.355306748466257,64,1,0,1.0
OADMET-0004682,Cc1cccc(CC(=O)NC2CCN(C3CCCCC3)C2=O)c1Cl,4.88,5.013144652048747,4.998154761904762,99,3,0,1.0
OADMET-0004681,O=C1NCCCN(C(=O)c2cc[nH]c2C2CC2)C1Cc1ccccc1,4.84,4.994415760040283,4.998154761904762,101,1,0,1.0
OADMET-0004680,CC(=O)N1c2ccccc2C[C@H]1c1nc(Cc2cc(C)on2)no1,5.15,4.578185558319092,4.682475247524752,2108,0,0,1.0
OADMET-0004679,CCOC1CC(O)(CNc2nc(-c3cccnc3)nc3ccccc23)C1(C)C,5.23,4.776266574859619,4.821480836236933,2107,1,0,1.0
OADMET-0004678,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,5.08,4.9879476229349775,4.998154761904762,2106,2,0,1.0
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]21,3.93,3.584712187449137,3.571791044776119,2105,3,0,1.0
OADMET-0004673,Cc1cc(=O)oc2cc(OCC3CCNCC3)ccc12,4.78,2.8457367420196533,2.795725806451613,2104,4,0,1.0
OADMET-0004662,Cc1cccc(C(NC(=O)N2CCNC(=O)C2C)c2cccc(C)c2)c1,4.63,5.226743380228679,5.026367187500001,2103,4,0,1.0
OADMET-0004653,COC(=O)c1cc(NC(=O)N2CC(C(F)(F)F)OC(C)(C)C2)cc2[nH]ccc12,4.72,4.610832055409749,4.776467889908257,2102,1,0,1.0
OADMET-0004642,Cc1cnn(C2CCN(C(=O)c3cc(-c4ccccc4)no3)C2)c1,4.65,4.377702554066976,4.477399999999999,40,1,0,1.0
OADMET-0004629,CN1CCN(C(=O)C(Cc2ccccc2)NC(N)=O)Cc2ccccc21,4.41,4.911225954691569,4.860652173913044,256,0,1,2.0
OADMET-0004628,CN1CCOC(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)C1,4.15,4.774251937866211,4.821480836236933,276,1,1,2.0
OADMET-0004625,c1ccc(OC[C@@H]2CCCN2c2nnc(-c3ccon3)s2)cc1,4.72,5.104105154673259,4.9999852507374625,262,1,0,1.0
OADMET-0004617,C[C@@H](NC(=O)N1CCc2cn[nH]c2C1)c1ccccc1Cl,4.99,4.562947432200114,4.682475247524752,570,1,0,1.0
OADMET-0004611,CCn1ncc2c1CCCC2NC(=O)c1cc(C(F)(F)F)n(C)n1,4.66,4.564056396484375,4.682475247524752,656,3,0,1.0
OADMET-0004605,CC(COC1CCOC1)NC(=O)c1n[nH]c2ccc(Cl)cc12,4.95,4.475847085316976,4.59815,2101,2,0,1.0
OADMET-0004590,CC(C)CC(Cc1ccccc1)Nc1ccc(P(C)(C)=O)cn1,5.48,5.054513454437256,4.9999852507374625,2100,3,0,1.0
OADMET-0004588,COc1ccc(CNC(=O)N2CCC(C)C(n3ccnc3)C2)cc1F,4.85,4.003156820933024,4.043714285714285,662,4,0,1.0
OADMET-0004581,O=S1(=O)CCCC(c2cn(-c3ccc(Cl)cc3O)nn2)C1,4.76,4.556325912475586,4.682475247524752,138,3,0,1.0
OADMET-0004579,Cc1c(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n(C)c2ccccc12,4.65,3.306413491566976,3.101637931034483,2099,4,0,1.0
OADMET-0004577,Cc1nc2ccnn2cc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1,4.8,3.7056578000386557,3.6602857142857137,2098,0,0,1.0
OADMET-0004575,FC(F)(F)Oc1ccccc1-c1noc(C2(c3ccccc3)CC2)n1,4.36,5.469065189361572,5.269615384615386,2097,1,0,1.0
OADMET-0004570,Cc1cc(C(F)F)n2ncc(C(=O)N3Cc4ccccc4[C@@H]3C)c2n1,5.04,6.103591601053874,5.726304347826088,2096,2,0,1.0
OADMET-0004567,COC(=O)Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1,4.92,5.558088461558024,5.284131355932205,265,0,0,1.0
OADMET-0004566,O=C(Cc1n[nH]c2ccccc12)N1CCc2cc(Cl)ccc21,4.71,5.155928452809651,4.9999852507374625,659,1,0,1.0
OADMET-0004560,Cc1cccc(C)c1CN(C)C(=O)NCc1ncnn1-c1ccccc1,5.02,4.854350725809733,4.821480836236933,61,0,0,1.0
OADMET-0004551,CN1CCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c2ccccc21,4.43,4.497286319732666,4.59815,264,1,0,1.0
OADMET-0004547,NC(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)ccc1Cl,4.12,4.092497666676839,4.164821428571428,2095,3,0,1.0
OADMET-0004514,COc1ccc(C2CCCN2C(=O)c2nccc3occc23)cc1F,5.26,5.076379299163818,4.9999852507374625,497,1,0,1.0
OADMET-0004510,Cn1cc(C2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)cn1,4.78,4.203950087229411,4.355306748466257,386,0,1,2.0
OADMET-0004498,Cc1ccc2c(c1)CCC2NS(=O)(=O)c1cnn(Cc2ccccc2)c1,5.18,5.414856433868408,5.262777777777777,2094,4,0,1.0
OADMET-0004490,O=C(NCc1c(F)cccc1Cl)N1CCN(c2nnc(C(F)(F)F)s2)CC1,5.01,4.32938289642334,4.47620253164557,661,0,1,2.0
OADMET-0004489,CC(C)(Cc1ccccc1)C(NCCc1cnccn1)c1nnnn1-c1ccc2c(c1)OCO2,5.41,5.174899895985921,4.9999852507374625,2093,3,0,1.0
OADMET-0004478,Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cnc1N,5.41,3.533642292022705,3.5503846153846155,157,1,0,1.0
OADMET-0004472,O=C(NCCNC(=O)c1cccc(-c2cccs2)n1)NC1CCCCC1,4.86,4.7615329424540205,4.817948717948719,660,1,0,1.0
OADMET-0004458,CC(C)COc1ccccc1NC(=O)c1ccc(C(N)=O)s1,5.18,5.4626358350118,5.269615384615386,2092,4,0,1.0
OADMET-0004452,CN1CCN(C(=O)c2ccc(N3CCCC3)nn2)c2ccc(F)cc21,4.89,5.279246807098389,5.067031249999999,98,1,0,1.0
OADMET-0004444,CC(C)(C)n1cc(C(=O)Nc2cccc3c2C(=O)NC3)nn1,4.36,4.354608535766602,4.47620253164557,2091,0,0,1.0
OADMET-0004442,Cn1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(-c2coc3ccccc23)n1,4.7,4.192891279856364,4.355306748466257,531,3,0,1.0
OADMET-0004440,O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1,4.97,5.172017574310303,4.9999852507374625,156,1,0,1.0
OADMET-0004439,COc1cc2cc(C(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)[nH]c2cc1OC,4.2,4.857531547546387,4.821480836236933,2090,3,0,1.0
OADMET-0004428,Cc1sc(C(C)NC(=O)CC2(C(=O)[O-])CCC2)nc1-c1ccc(Cl)cc1,4.61,4.817506313323975,4.821480836236933,410,0,0,1.0
OADMET-0004419,CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5[nH]ccc5c4)ccc1c23,4.55,5.3501739501953125,5.2117424242424235,2089,0,0,1.0
OADMET-0004418,CC(=O)N1CCCN(c2ccc3ccc(Cl)c(C)c3n2)CC1,5.2,5.6589436531066895,5.284131355932205,638,1,1,2.0
OADMET-0004415,CCc1cc(NC(=O)N2CCN(CC(C)C)CC2)ccc1C,4.17,4.670485178629558,4.817948717948719,2088,1,0,1.0
OADMET-0004413,CC1Cc2ccccc2N1C(=O)C1Cc2cccnc2C1,4.66,5.13772439956665,4.9999852507374625,586,4,1,2.0
OADMET-0004402,Cn1nc(NC(=O)N2CCC(c3ccccc3)C2)c2ccccc21,4.66,5.243973890940349,5.026367187500001,650,1,0,1.0
OADMET-0004396,Cc1ccc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c(C)c1,4.57,4.601746877034505,4.776467889908257,2087,2,0,1.0
OADMET-0004394,CNC(=O)CNc1cccc(-c2cn(Cc3cc4ccc(F)cc4[nH]c3=O)nn2)c1,4.1,4.039502302805583,4.092280701754386,519,2,0,1.0
OADMET-0004388,O=C(Cc1cc2ccccc2[nH]c1=O)Nc1ccc2[nH]nnc2c1,4.24,3.4509477615356445,3.4971951219512194,651,0,0,1.0
OADMET-0004379,C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1,4.78,4.390827973683675,4.477399999999999,2086,3,0,1.0
OADMET-0004372,CC(=O)N(C)c1ccccc1NC(=O)c1cccc2cccnc12,4.82,5.236314455668132,5.026367187500001,655,4,1,2.0
OADMET-0004349,Cc1sc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c(C(N)=O)c1C,4.1,4.906768163045247,4.834642319277108,649,2,0,1.0
OADMET-0004348,N#CCc1ccc(NS(=O)(=O)c2cccc3ccncc23)cc1,4.55,5.2339199384053545,5.026367187500001,2085,4,1,2.0
OADMET-0004345,Cc1nc(-c2c(C)noc2C)sc1C(=O)Nc1cccc(-c2cn[nH]c2)c1,4.53,4.502019723256429,4.59815,2084,0,0,1.0
OADMET-0004332,N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1nnc(-c2ccncc2)[nH]1,5.42,4.342511336008708,4.47620253164557,2083,1,0,1.0
OADMET-0004327,Cc1sc2nc(C(C)Nc3ccc4c(c3)NC(=O)CC4)[nH]c(=O)c2c1C,4.89,5.400450388590495,5.234230769230769,2082,2,0,1.0
OADMET-0004321,O=C(NCC1CCCC2(CCC2)O1)Nc1cc2ccccc2nn1,5.11,4.867808183034261,4.821480836236933,521,4,0,1.0
OADMET-0004315,COc1ccc(C(=O)Nc2ccccc2Cl)cc1C1CC1,4.04,4.868951479593913,4.821480836236933,23,3,1,2.0
OADMET-0004313,COc1ccc2oc(C(=O)Nc3cnccc3Oc3ccccc3)c(C)c2c1,4.81,4.439953962961833,4.543097826086957,2081,3,0,1.0
OADMET-0004305,CCc1n[nH]c(-c2ccccc2NC(=O)c2ccc(NC(C)=O)c(F)c2)n1,5.19,3.76850962638855,3.8408219178082192,2080,4,0,1.0
OADMET-0004301,Cc1ccc2[nH]c(C(=O)Nc3cc(C(C)C)[nH]n3)c(C)c2c1,4.27,5.22785218556722,5.026367187500001,2079,0,0,1.0
OADMET-0004297,O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cc(F)ccc2F)on1,5.04,4.468977928161621,4.5774358974358975,2078,1,1,2.0
OADMET-0004296,CC(CNc1nc(-c2ccncc2)nc2ccccc12)S(C)(=O)=O,4.71,3.8364690144856772,3.916360294117648,532,4,0,1.0
OADMET-0004294,CC1COC(c2cccc(Cl)c2)CN1C(=O)Cc1n[nH]c2ccccc12,5.48,5.47659699122111,5.284131355932205,659,1,0,1.0
OADMET-0004285,O=C(Nc1nc2c(Cl)cccc2[nH]1)C1CCN(c2ccccc2F)C1,4.66,4.257948398590088,4.355306748466257,97,0,0,1.0
OADMET-0004281,CNC(=O)c1ccc(OC)c(NCc2cccc(OC)c2)c1,4.85,3.9736706415812173,4.031000000000001,658,0,0,1.0
OADMET-0004280,CCC(=O)N1CCCC(C(=O)Nc2nc(-c3ccccc3)co2)C1,5.0,4.44459883371989,4.5774358974358975,2077,2,1,2.0
OADMET-0004279,O=C(Nc1nc2c(s1)COCC2)N1CCc2cccc(Cl)c2C1,4.63,5.156472206115723,4.9999852507374625,2076,3,0,1.0
OADMET-0004273,COC(C)c1noc(CN2CCCc3ccc(Cl)c(C)c32)n1,4.63,5.284913380940755,5.067031249999999,2075,4,0,1.0
OADMET-0004272,CCC(CC1CCCC1)c1nc(-c2ccncc2OC)no1,4.23,4.840490818023682,4.821480836236933,2074,0,0,1.0
OADMET-0004270,Cc1ccc(-c2n[nH]c(NC(=O)CC3=CCCCC3)c2C)o1,5.08,5.297680060068767,5.067031249999999,2073,1,0,1.0
OADMET-0004267,CC(C)Oc1ccccc1-c1nc(-c2cnccn2)no1,4.3,4.7993825276692705,4.821480836236933,2072,2,0,1.0
OADMET-0004263,CCc1cnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1,4.98,4.00360902150472,4.043714285714285,312,4,0,1.0
OADMET-0004261,CC(C)n1ncc2c(C(=O)Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccs3)nc21,5.0,4.7719957033793134,4.821480836236933,2071,3,0,1.0
OADMET-0004259,Cn1c(-c2ccc3ccccc3n2)nnc1N1CCOC2(CCCCCC2)C1,4.21,5.019680023193359,4.998154761904762,657,2,0,1.0
OADMET-0004256,O=C(NCc1cc(F)c(Cl)cc1F)c1c[nH]c2ccccc2c1=O,5.3,4.1970438957214355,4.355306748466257,2070,4,0,1.0
OADMET-0004247,c1ccc(OC[C@@H]2CCCN2c2nccc3nccnc23)cc1,4.41,4.963020483652751,4.988000000000001,262,1,0,1.0
OADMET-0004239,Cc1nc(CN(C)S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1,4.91,5.030227025349935,4.9999852507374625,2069,2,0,1.0
OADMET-0004238,Cc1ccc(C(=O)Nc2ncnc3c2c(C)c(C)n3CC2CCCO2)s1,4.6,4.632545630137126,4.776467889908257,2068,1,0,1.0
OADMET-0004237,CC(C)(C)n1cc(C(=O)N2CCOc3cc(Cl)c(Cl)cc32)nn1,4.4,5.06372086207072,4.9999852507374625,2067,1,0,1.0
OADMET-0004225,OC[C@@H](NC[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccccc1,3.99,4.568486213684082,4.682475247524752,2066,2,1,2.0
OADMET-0004220,NC(=O)CNC(=O)c1cccc(NC(=O)c2cc3c(Br)ccc(Cl)c3[nH]2)c1,4.36,4.622364521026611,4.776467889908257,2065,3,0,1.0
OADMET-0004216,CNC(=O)c1ccsc1NC(=O)N1CCOC(c2ccccc2)C1,4.24,4.4154103597005205,4.543097826086957,2064,4,0,1.0
OADMET-0004214,CCn1ncc2c1CCCC2NC(=O)c1ccc(F)c2cccnc12,5.24,4.736753145853679,4.817948717948719,656,3,0,1.0
OADMET-0004210,C=C[C@H](CO)NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1,5.06,4.197571913401286,4.355306748466257,2063,0,0,1.0
OADMET-0004207,Cn1cnc(-c2cccc(NC(=O)c3cccc4cccnc34)c2)n1,4.22,4.888815244038899,4.821480836236933,655,4,1,2.0
OADMET-0004205,C[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)CCN1,1.72,3.787464459737142,3.8408219178082192,2062,1,0,1.0
OADMET-0004203,COc1cc(OC)nc(N2CCCC(c3nc4cc(C)ccc4[nH]3)C2)n1,5.07,5.187268098195394,5.026367187500001,155,2,1,2.0
OADMET-0004193,Cc1cc(CC(C)Nc2ncc(F)c(-c3ccsc3)n2)n[nH]1,4.62,4.683273633321126,4.817948717948719,2061,2,0,1.0
OADMET-0004187,CS(=O)(=O)CC(=O)N(CCc1ccccc1)Cc1ccccc1,4.73,4.619460582733154,4.776467889908257,2060,3,0,1.0
OADMET-0004182,CN1CCOc2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc21,4.9,5.109971841176351,4.9999852507374625,654,4,0,1.0
OADMET-0004180,CO[C@H]1C[C@H](CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1,4.85,5.648683547973633,5.284131355932205,2059,4,0,1.0
OADMET-0004176,COc1ccc(-c2cc(C(=O)Nc3cn[nH]c3)c3ccccc3n2)cc1,5.07,4.717019557952881,4.817948717948719,11,3,0,1.0
OADMET-0004172,CC(C)(CS(C)(=O)=O)NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O,4.71,4.7393418947855634,4.817948717948719,2058,0,0,1.0
OADMET-0004170,NC(=O)CC1CCCCN1c1nc(-c2cc(F)cc(F)c2)ns1,5.47,4.663995583852132,4.817948717948719,2057,1,0,1.0
OADMET-0004168,CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(Cn3cncn3)c2)c1,4.79,5.112596352895101,4.9999852507374625,2056,2,0,1.0
OADMET-0004153,O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F)NC1CC1,5.36,5.466846625010173,5.269615384615386,500,0,0,1.0
OADMET-0004129,COc1ccc(NC(=O)c2cc[nH]n2)c(OCc2ccccc2)c1,4.51,3.7127490838368735,3.8408219178082192,23,3,0,1.0
OADMET-0004128,C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1,5.13,3.9630491733551025,4.0285714285714285,653,3,0,1.0
OADMET-0004116,Cc1cc(C)n2ncc(-c3noc(C4(c5cccnc5)CC4)n3)c2n1,5.66,4.882520834604899,4.821480836236933,2055,3,0,1.0
OADMET-0004106,Cc1cn(-c2ccccc2Cl)nc1C(=O)NCc1nccs1,4.73,4.671304861704509,4.817948717948719,2054,4,0,1.0
OADMET-0004105,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccnc1,5.18,4.936481475830078,4.888,156,1,0,1.0
OADMET-0004101,O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1ncoc1C1CC1,5.57,4.772570292154948,4.821480836236933,2053,0,0,1.0
OADMET-0004094,Cn1nc(NC(=O)CNC(=O)c2ccc(Br)cc2)cc1C1CC1,4.41,4.525661627451579,4.59815,652,2,0,1.0
OADMET-0004092,O=C(Nc1ccc2[nH]nnc2c1)c1csc2ccccc12,4.9,3.829268296559652,3.916360294117648,651,0,0,1.0
OADMET-0004090,Cc1nc(N2CCc3ccc(F)cc32)c2cnn(C)c2n1,3.75,5.653061707814534,5.284131355932205,2052,1,0,1.0
OADMET-0004088,Cn1c(C(=O)NC2(c3nnc[nH]3)CCC2)cc2cc(C(F)(F)F)ccc21,3.99,5.036477724711101,4.9999852507374625,2051,2,0,1.0
OADMET-0004080,NC(=O)CCc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1,4.66,4.4254889488220215,4.543097826086957,2050,3,0,1.0
OADMET-0004069,COc1ccc2[nH]nc(NC(=O)c3ccn(-c4ccc(F)cc4F)n3)c2c1,4.26,4.468198458353679,4.5774358974358975,333,1,0,1.0
OADMET-0004067,C=CCOc1cccc2[nH]c(C(=O)NCc3ncn(C(C)C)n3)cc12,4.82,4.4167202313741045,4.543097826086957,2049,4,0,1.0
OADMET-0004065,CC1CCCc2ncc(C(=O)Nc3nn(C)c4ccccc34)n21,4.77,4.862663745880127,4.821480836236933,650,1,0,1.0
OADMET-0004064,Cc1ccc(C#N)c(N2CCCC(c3ccncc3)C2)n1,4.52,4.566988468170166,4.682475247524752,2048,0,0,1.0
OADMET-0004060,c1n[nH]c([C@@H]2CCCN2Cc2csc(-c3ccsc3)n2)n1,4.92,4.508992830912272,4.59815,2047,2,0,1.0
OADMET-0004056,CCC(CC)n1nc(C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1,4.92,4.159450054168701,4.355306748466257,264,1,0,1.0
OADMET-0004054,C#CCC(Cc1ccccc1)Nc1ccc2nccnc2n1,4.87,4.654419898986816,4.817948717948719,2046,1,0,1.0
OADMET-0004053,Cc1cccc(NC(=O)N2CCCC(c3nc4cc(C)ccc4[nH]3)C2)c1,4.86,4.950152397155762,4.988000000000001,155,2,0,1.0
OADMET-0004051,Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ncnn3-c3ccccc3)c12,4.6,4.917554537455241,4.860652173913044,61,0,1,2.0
OADMET-0004047,c1ccc(-c2cc(CNc3ccccc3-n3cccn3)n[nH]2)cc1,5.05,5.224872907002767,5.026367187500001,2045,3,0,1.0
OADMET-0004040,O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCC(O)(Cc2ccc(F)cc2)C1,5.28,4.624653975168864,4.776467889908257,2044,2,0,1.0
OADMET-0004029,CC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1,4.45,4.490929126739502,4.59815,649,2,0,1.0
OADMET-0004025,C1=C(c2c[nH]c3ncccc23)CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1,4.55,3.2583440144856772,3.0979268292682924,648,3,0,1.0
OADMET-0004024,O=C(Nc1ccc2c(c1)CCO2)c1cccnc1OCc1ccccc1F,5.08,4.670298258463542,4.817948717948719,2043,3,1,2.0
OADMET-0004021,Cc1ccc2sc(CNC(=O)c3csc(C(C)C)n3)nc2c1,5.2,5.595029195149739,5.284131355932205,2042,4,1,2.0
OADMET-0004014,COc1ccc(OC(F)(F)F)c(C(=O)Nc2cc3c(cc2C)OCO3)c1,5.13,4.407476743062337,4.543097826086957,647,1,1,2.0
OADMET-0004004,Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc12,5.15,4.66793696085612,4.817948717948719,11,3,0,1.0
OADMET-0004003,O=S(=O)(CC1CCCO1)Nc1cc(C(F)(F)F)c2cn[nH]c2c1,5.12,4.896491686503093,4.834642319277108,646,0,0,1.0
OADMET-0003997,CCCn1cc(NC(=O)c2ccc3c(Br)cnn3c2)cn1,4.29,4.078622976938884,4.092280701754386,2041,0,0,1.0
OADMET-0003994,O=C(Cc1ccc(F)cc1F)NCc1ccccc1-c1cccnc1,4.3,4.432460467020671,4.543097826086957,181,0,0,1.0
OADMET-0003975,O=C(Nc1cccc(OCC(F)(F)F)c1)c1cnn2c1CCCC2,5.04,5.424365679423015,5.262777777777777,2040,1,0,1.0
OADMET-0003971,Cc1cccc2oc(C(=O)NCc3ccn(C4CCCC4)n3)cc12,5.0,4.971316496531169,4.988000000000001,271,4,0,1.0
OADMET-0003969,CCn1c(=O)c(N2CCN(c3cc(C)ccn3)CC2)nc2ccccc21,5.04,4.938526312510173,4.988000000000001,645,4,0,1.0
OADMET-0003963,CCc1cc(Nc2nc(C)nc3c2cnn3C)ccc1C,5.17,5.290815830230713,5.067031249999999,2039,2,0,1.0
OADMET-0003961,O=C(Cc1cn2c(n1)CCCC2)N1CCc2ccc(F)cc21,4.41,5.102085908253987,4.9999852507374625,644,0,1,2.0
OADMET-0003960,Cc1nccc(N2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)n1,4.97,2.7554948329925537,2.795725806451613,154,3,1,2.0
OADMET-0003956,NC(=O)c1n[nH]c2ccc(NC(=O)c3nccc4ccccc34)cc12,3.89,4.283548355102539,4.355306748466257,526,4,1,2.0
OADMET-0003950,Cc1cc(N2CCCC(c3n[nH]c(-c4ccccc4)n3)C2)ncn1,5.05,3.909202257792155,3.916360294117648,2038,3,0,1.0
OADMET-0003946,O=C(Nc1ccc2c[nH]nc2c1)c1csc(-c2ccccn2)n1,4.66,4.13533369700114,4.311111111111112,2037,4,1,2.0
OADMET-0003942,CN1CCOC(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)C1,5.44,4.647985140482585,4.817948717948719,276,1,0,1.0
OADMET-0003932,COc1ccc(-c2nc(N3CCOCC3)cc3ccccc23)cn1,4.64,4.597344557444255,4.776467889908257,2036,0,0,1.0
OADMET-0003930,COCCc1csc(-c2ccc(Oc3ccccc3OC)cc2)n1,4.9,4.404859701792399,4.543097826086957,2035,1,0,1.0
OADMET-0003921,Cc1cccn2cc(-c3ccc(NC(C)c4cnn(C)n4)cc3)nc12,4.4,4.499043941497803,4.59815,2034,2,0,1.0
OADMET-0003914,O=C(NCc1nc2ccccc2s1)C(O)c1cc(Cl)cc(Cl)c1,5.16,5.048264662424724,4.9999852507374625,2033,3,0,1.0
OADMET-0003911,COc1nscc1C(=O)NCc1ccc(N2CCCC2)cc1,4.4,3.8674798011779785,3.916360294117648,2032,4,0,1.0
OADMET-0003900,COc1ccccc1-c1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)s1,5.29,4.615222295125325,4.776467889908257,2031,0,1,2.0
OADMET-0003898,Cc1cccc(-c2cncc(C(=O)N(C)c3cccnc3)c2)c1,4.85,4.5148671468098955,4.59815,643,1,0,1.0
OADMET-0003889,Cn1ccnc1-c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1,4.89,4.375204245249431,4.477399999999999,2030,1,0,1.0
OADMET-0003884,COc1ccc(C(=O)NC(CNS(=O)(=O)c2cnn(C)c2)c2ccccc2)cc1Cl,4.58,4.711234251658122,4.817948717948719,251,2,0,1.0
OADMET-0003879,O=C(COc1ccon1)Nc1ccc2c(c1)OC1(CCCC1)O2,4.21,5.300384521484375,5.067031249999999,2029,2,0,1.0
OADMET-0003872,c1cc(-c2noc(-c3cn[nH]c3-c3ccc4c(c3)OCO4)n2)cs1,4.39,4.009607791900635,4.043714285714285,2028,3,0,1.0
OADMET-0003866,N#CC1(C(=O)Nc2ccc3c(F)n[nH]c3c2)CCCCC1,5.07,4.971393744150798,4.988000000000001,2027,4,0,1.0
OADMET-0003864,Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2OCC(F)F)cc1[N+](=O)[O-],4.92,4.663103739420573,4.817948717948719,2026,0,0,1.0
OADMET-0003862,O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)NC1CCc2[nH]ncc2C1,4.37,3.910528024037679,3.916360294117648,2025,1,0,1.0
OADMET-0003860,CC(NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)c1ccc(OCC(N)=O)cc1,4.97,4.588339169820149,4.758571428571429,2024,2,0,1.0
OADMET-0003858,O=C(NCC1C2Cc3ccccc3C12)c1cc2c(F)cccc2[nH]1,4.64,5.717656294504802,5.284131355932205,2023,1,0,1.0
OADMET-0003857,Cc1ccc(C(=O)NC2CCc3ccccc3C2)cc1NS(C)(=O)=O,5.11,4.684348106384277,4.817948717948719,2022,0,0,1.0
OADMET-0003853,Cc1cccc(-c2cncc(C(=O)Nc3ccccc3C(N)=O)c2)c1,4.92,4.563739935557048,4.682475247524752,643,1,0,1.0
OADMET-0003848,COc1cccc2[nH]c(C(=O)NCC#CC3CCCCO3)cc12,4.07,4.753864129384358,4.817948717948719,2021,4,0,1.0
OADMET-0003844,COc1cc(F)c(C(=O)Nc2cc(C)n(C3CCCCC3)n2)c(F)c1,4.54,5.1351470947265625,4.9999852507374625,642,2,1,2.0
OADMET-0003835,COc1ccc(-c2cc(C(=O)NCc3nc4c(C)cccc4[nH]3)[nH]n2)cc1,3.9,4.111655155817668,4.164821428571428,298,4,0,1.0
OADMET-0003834,CCc1nn(Cc2coc(-c3cccc(OC)c3)n2)c(=O)c(C#N)c1CC,5.26,5.136292775472005,4.9999852507374625,641,3,0,1.0
OADMET-0003833,CC(=O)N(c1nnc(SCCOc2ccc(Cl)cc2)s1)C1CC1,4.76,5.104530334472656,4.9999852507374625,640,4,0,1.0
OADMET-0003832,N#CC(c1ccccc1)C1CCCN1C(=O)Nc1ccc2c(c1)SCC(=O)N2,5.34,5.096690654754639,4.9999852507374625,639,0,0,1.0
OADMET-0003829,CCc1ncc(Br)cc1C(=O)Nc1cc(C(C)(C)F)on1,4.49,4.796842098236084,4.821480836236933,2020,4,0,1.0
OADMET-0003828,COc1ccc(Cl)c2c1CCCC2NCc1nnc(C(C)C)[nH]1,4.77,4.8724015553792315,4.821480836236933,2019,0,0,1.0
OADMET-0003827,Cc1c(Cl)ccc2ccc(N3CCCC(c4ccn[nH]4)C3)nc12,4.17,5.66563065846761,5.284131355932205,638,1,1,2.0
OADMET-0003823,CC(C)(NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1)c1cccs1,5.02,4.662913163503011,4.817948717948719,2018,1,0,1.0
OADMET-0003816,CCC1(CO)CCCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C1,4.83,5.553574879964192,5.284131355932205,2017,2,0,1.0
OADMET-0003811,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,4.56,4.352927843729655,4.47620253164557,622,2,0,1.0
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,4.86,5.140739758809407,4.9999852507374625,2016,3,0,1.0
OADMET-0003809,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,4.67,4.618115584055583,4.776467889908257,2015,4,0,1.0
OADMET-0003808,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,3.54,2.3219035466512046,2.4937500000000004,2014,0,0,1.0
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,4.92,4.470070679982503,4.59815,2013,1,0,1.0
OADMET-0003806,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,3.28,4.261716365814209,4.355306748466257,2012,2,0,1.0
OADMET-0003805,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,4.42,4.114305178324382,4.164821428571428,2011,3,0,1.0
OADMET-0003804,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,4.4,5.353441556294759,5.2117424242424235,2010,3,0,1.0
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,3.27,3.9975998401641846,4.031000000000001,2009,0,0,1.0
OADMET-0003802,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,4.61,2.958240509033203,2.811071428571428,2008,1,0,1.0
OADMET-0003801,Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1,3.96,4.200463930765788,4.355306748466257,2007,2,0,1.0
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)Oc1ccccc1,4.48,3.481928507486979,3.4971951219512194,2006,3,0,1.0
OADMET-0003799,CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O,5.88,5.270857175191243,5.067031249999999,2005,4,0,1.0
OADMET-0003798,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,4.23,4.110577583312988,4.164821428571428,2004,0,0,1.0
OADMET-0003797,CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,4.26,3.9244209925333657,3.916360294117648,2003,1,0,1.0
OADMET-0003796,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,4.86,5.293510754903157,5.067031249999999,636,2,0,1.0
OADMET-0003794,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,4.6,4.4802290598551435,4.59815,637,4,0,1.0
OADMET-0003793,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,4.16,3.899214029312134,3.916360294117648,2002,2,0,1.0
OADMET-0003792,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,5.04,4.1732862790425616,4.355306748466257,611,2,0,1.0
OADMET-0003791,C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F,5.1,4.960376580556233,4.988000000000001,2001,3,0,1.0
OADMET-0003790,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,3.27,4.795489470163981,4.821480836236933,296,0,1,2.0
OADMET-0003789,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,3.24,3.9322592417399087,3.916360294117648,632,1,0,1.0
OADMET-0003788,OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,1.77,1.9293156067530315,2.2079999999999997,2000,2,0,1.0
OADMET-0003787,CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,4.06,3.418005386988322,3.4971951219512194,630,4,0,1.0
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,2.92,4.936240037282308,4.888,1999,3,0,1.0
OADMET-0003785,O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,2.02,5.3124440511067705,5.067031249999999,1998,4,0,1.0
OADMET-0003784,Cn1sc(Cl)cc1=O,2.59,3.0245413780212402,2.9914062500000007,1997,2,0,1.0
OADMET-0003783,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,4.86,4.974360942840576,4.988000000000001,624,0,0,1.0
OADMET-0003782,Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1,4.17,4.263191382090251,4.355306748466257,213,3,0,1.0
OADMET-0003781,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,5.46,5.097694396972656,4.9999852507374625,636,2,0,1.0
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,6.22,3.7202938397725425,3.8408219178082192,244,1,0,1.0
OADMET-0003779,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,4.67,5.008862177530925,4.998154761904762,1996,4,0,1.0
OADMET-0003777,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,1.89,1.4477641582489014,1.9533333333333334,1995,0,0,1.0
OADMET-0003775,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,3.06,4.619616190592448,4.776467889908257,1994,1,0,1.0
OADMET-0003773,CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,4.85,3.0864866574605307,2.9914062500000007,1993,2,0,1.0
OADMET-0003772,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,1.78,2.828725496927897,2.795725806451613,1992,3,0,1.0
OADMET-0003771,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,2.51,2.4752060572306314,2.5691379310344833,93,0,0,1.0
OADMET-0003770,CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,3.79,3.801546494166056,3.8408219178082192,1991,4,0,1.0
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)c2n1,4.12,5.015690326690674,4.998154761904762,1990,0,0,1.0
OADMET-0003768,O=[N+]([O-])c1ccc(-c2ccccc2)cc1,2.54,3.5226656595865884,3.4971951219512194,96,4,0,1.0
OADMET-0003767,COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,2.03,4.0075875123341875,4.043714285714285,1989,1,0,1.0
OADMET-0003766,Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,3.89,4.020809094111125,4.043714285714285,613,0,0,1.0
OADMET-0003765,O=c1[nH]cc(F)c(=O)[nH]1,2.79,1.8763407071431477,2.2079999999999997,1988,2,0,1.0
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,3.94,3.0744330883026123,2.9914062500000007,625,4,0,1.0
OADMET-0003763,Nc1nc(=S)c2[nH]cnc2[nH]1,1.79,2.6045644283294678,2.7054255319148934,1987,3,0,1.0
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,4.18,4.921853383382161,4.888,634,2,0,1.0
OADMET-0003761,N=C(N)NCCN1CCCCCCC1,1.89,2.2144420941670737,2.353951612903226,1986,4,0,1.0
OADMET-0003760,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,3.26,4.256402095158895,4.355306748466257,1985,0,0,1.0
OADMET-0003759,Oc1c(I)cc(Cl)c2cccnc12,1.76,2.7771190802256265,2.795725806451613,151,4,1,2.0
OADMET-0003758,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,5.11,4.287717501322429,4.355306748466257,213,3,0,1.0
OADMET-0003757,CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,3.98,4.141567230224609,4.311111111111112,635,4,0,1.0
OADMET-0003756,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,4.0,4.521072546641032,4.59815,634,2,0,1.0
OADMET-0003755,C/C=C/c1ccc(OC)cc1,1.87,2.2645766337712607,2.353951612903226,153,3,1,2.0
OADMET-0003754,CC=Cc1ccc(O)c(OC)c1,3.93,4.074706633885701,4.092280701754386,82,4,1,2.0
OADMET-0003753,CCN(CC)C(=S)SSC(=S)N(CC)CC,1.76,2.8839029471079507,2.795725806451613,628,1,0,1.0
OADMET-0003752,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC,4.27,3.9901316165924072,4.031000000000001,1984,1,0,1.0
OADMET-0003751,CN(CCOP(=O)(O)O)C(=N)N,1.78,2.575500806172689,2.5691379310344833,1983,2,0,1.0
OADMET-0003750,Cc1cc(O)nc(S)n1,2.05,2.4037960370381675,2.4937500000000004,1982,3,0,1.0
OADMET-0003749,[O-][n+]1ccccc1S,1.75,2.159925182660421,2.353951612903226,1981,4,0,1.0
OADMET-0003748,O=C(O)[C@@H](S)[C@@H](S)C(=O)O,2.01,1.8655012051264446,2.2079999999999997,87,4,0,1.0
OADMET-0003747,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,5.28,4.793508688608806,4.821480836236933,94,4,0,1.0
OADMET-0003746,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,3.89,3.63000226020813,3.571791044776119,1980,0,0,1.0
OADMET-0003745,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,2.69,3.1424227555592856,3.0979268292682924,1979,1,0,1.0
OADMET-0003744,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,4.46,3.825599749883016,3.916360294117648,1978,2,0,1.0
OADMET-0003743,O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12,4.78,4.53894058863322,4.682475247524752,1977,3,0,1.0
OADMET-0003742,CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12,2.13,3.744373401006063,3.8408219178082192,1976,1,0,1.0
OADMET-0003741,CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,4.61,3.4580328464508057,3.4971951219512194,1975,0,0,1.0
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)Oc1ccccc1,1.86,4.757307052612305,4.817948717948719,1974,0,0,1.0
OADMET-0003739,CC(N)Cc1ccc(O)cc1,4.04,2.240781625111898,2.353951612903226,627,2,0,1.0
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,5.01,4.440876166025798,4.543097826086957,1973,1,0,1.0
OADMET-0003737,Nc1c2ccccc2nc2ccccc12,5.21,3.9315032164255777,3.916360294117648,1972,2,1,2.0
OADMET-0003736,CN1C(=O)OC(C)(C)C1=O,2.69,2.6040802001953125,2.7054255319148934,1971,3,0,1.0
OADMET-0003735,Oc1c(I)cc(I)c2cccnc12,3.25,2.1823357741038003,2.353951612903226,151,4,1,2.0
OADMET-0003734,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,4.67,3.2926217714945474,3.101637931034483,633,2,0,1.0
OADMET-0003733,Cc1cc(C=Cc2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,3.2,4.4264475504557295,4.543097826086957,629,0,1,2.0
OADMET-0003732,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,4.98,4.640987078348796,4.776467889908257,1970,4,0,1.0
OADMET-0003731,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,4.74,4.620438416798909,4.776467889908257,10,1,1,2.0
OADMET-0003730,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,5.74,2.5920260747273765,2.7054255319148934,1969,0,0,1.0
OADMET-0003729,CNC1(C)C2CCC(C2)C1(C)C,2.93,4.25149393081665,4.355306748466257,1968,1,0,1.0
OADMET-0003728,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,2.74,2.4304776191711426,2.5691379310344833,1967,2,0,1.0
OADMET-0003727,CCP(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,2.54,2.423269430796305,2.5691379310344833,1966,3,0,1.0
OADMET-0003726,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,1.98,4.3343658447265625,4.47620253164557,1965,4,0,1.0
OADMET-0003725,CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,4.09,3.898459513982137,3.916360294117648,1964,0,0,1.0
OADMET-0003724,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,4.55,3.5785078207651773,3.571791044776119,633,2,0,1.0
OADMET-0003723,COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,1.84,3.621659199396769,3.571791044776119,1963,1,0,1.0
OADMET-0003722,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC,3.1,2.7788449923197427,2.795725806451613,32,4,0,1.0
OADMET-0003721,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,1.99,3.251060167948405,3.0979268292682924,93,0,1,2.0
OADMET-0003720,O=C1OCCN1N=Cc1ccc([N+](=O)[O-])o1,2.89,2.320664326349894,2.4937500000000004,1962,2,0,1.0
OADMET-0003719,Nc1cc(-c2ccncc2)c[nH]c1=O,1.81,2.3592212994893393,2.4937500000000004,1961,3,0,1.0
OADMET-0003718,Cc1ccc(-n2[nH]c(C)c(N/N=C3/C=CC=C(c4cccc(C(=O)O)c4)C3=O)c2=O)cc1C,3.25,3.314220666885376,3.101637931034483,1960,4,0,1.0
OADMET-0003717,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,4.3,5.242730140686035,5.026367187500001,292,1,0,1.0
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)C1,5.64,4.309496720631917,4.47620253164557,1959,0,0,1.0
OADMET-0003715,C[C@@H]1CCC2[C@@H](C)[C@@H](O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4,1.89,3.1042978763580322,2.9914062500000007,1958,1,0,1.0
OADMET-0003714,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,4.54,5.017467975616455,4.998154761904762,623,1,0,1.0
OADMET-0003713,C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C,1.73,3.478304068247477,3.4971951219512194,1957,2,0,1.0
OADMET-0003712,COc1ccc(Cc2cnc(N)nc2N)cc1OC,1.81,2.397690216700236,2.4937500000000004,297,0,0,1.0
OADMET-0003711,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,4.87,4.779969215393066,4.821480836236933,1956,3,0,1.0
OADMET-0003710,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,4.4,4.698171774546306,4.817948717948719,1955,4,0,1.0
OADMET-0003709,C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,1.82,3.6363750298817954,3.571791044776119,1954,4,0,1.0
OADMET-0003708,CN(C)CCOC(C)(c1ccccc1)c1ccc(Br)cc1,4.68,5.00262435277303,4.998154761904762,1953,1,0,1.0
OADMET-0003707,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,6.08,3.3735698064168296,3.4971951219512194,1952,1,0,1.0
OADMET-0003706,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,4.92,4.350247701009114,4.47620253164557,1951,0,0,1.0
OADMET-0003705,CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O,1.83,2.6539576848347983,2.7054255319148934,631,3,0,1.0
OADMET-0003704,CN1Cc2c(N)cccc2C(c2ccccc2)C1,4.19,4.118197758992513,4.164821428571428,1950,0,0,1.0
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)cc1,4.49,5.0713121096293134,4.9999852507374625,616,2,0,1.0
OADMET-0003702,CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1,1.81,2.1179354190826416,2.31875,1949,1,0,1.0
OADMET-0003701,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,2.24,2.872262716293335,2.795725806451613,632,1,0,1.0
OADMET-0003700,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,5.52,5.630953470865886,5.284131355932205,1948,2,0,1.0
OADMET-0003699,Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,5.06,4.016238530476888,4.043714285714285,1947,3,0,1.0
OADMET-0003697,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,5.13,3.867204030354818,3.916360294117648,631,3,0,1.0
OADMET-0003696,CC(C)Cc1ccc(C(C)C(=O)OCc2ccccn2)cc1,3.68,4.466489950815837,4.5774358974358975,1946,4,0,1.0
OADMET-0003695,CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C,4.48,3.8992369174957275,3.916360294117648,1945,0,0,1.0
OADMET-0003694,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21,4.79,4.348546981811523,4.47620253164557,1944,1,0,1.0
OADMET-0003693,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,3.92,3.8804967403411865,3.916360294117648,630,4,0,1.0
OADMET-0003692,Nc1ncnc2c1ncn2CCOCP(=O)(O)O,1.86,2.4192042350769043,2.4937500000000004,296,0,1,2.0
OADMET-0003691,CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,2.4,4.414968967437744,4.543097826086957,1943,2,0,1.0
OADMET-0003690,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,4.57,5.59285831451416,5.284131355932205,1942,3,0,1.0
OADMET-0003689,CCOc1ccc(CC2=NCCc3cc(OCC)c(OCC)cc32)cc1OCC,3.95,5.6327134768168134,5.284131355932205,1941,4,0,1.0
OADMET-0003688,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,2.08,2.6849509874979653,2.7054255319148934,1940,0,0,1.0
OADMET-0003687,COc1ccc(O)cc1,1.84,2.475922187169393,2.5691379310344833,0,0,0,1.0
OADMET-0003686,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.76,3.6940839290618896,3.6602857142857137,293,3,0,1.0
OADMET-0003685,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,1.93,2.514269749323527,2.5691379310344833,1939,1,0,1.0
OADMET-0003684,Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,1.98,3.943131605784098,3.916360294117648,629,0,1,2.0
OADMET-0003683,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,4.39,4.75856892267863,4.817948717948719,1938,2,0,1.0
OADMET-0003682,CC(C)NCC(O)c1ccccc1Cl,3.33,3.9316751956939697,3.916360294117648,1937,3,1,2.0
OADMET-0003681,NCCCNCCSP(=O)(O)O,2.97,2.2032411098480225,2.353951612903226,1936,4,0,1.0
OADMET-0003680,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,2.68,3.2271810372670493,3.0979268292682924,294,2,1,2.0
OADMET-0003679,NCCCC(O)(P(=O)(O)O)P(=O)(O)O,2.44,1.8100876410802205,2.1492857142857145,1935,0,0,1.0
OADMET-0003678,C#CCN(C)[C@H](C)Cc1ccccc1,2.63,4.04095999399821,4.092280701754386,618,0,0,1.0
OADMET-0003677,CN(C)C(=S)SSC(=S)N(C)C,1.86,1.6936271985371907,2.1492857142857145,628,1,0,1.0
OADMET-0003676,NC(=O)NO,1.79,2.0037930806477866,2.29,1934,1,0,1.0
OADMET-0003675,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,1.98,3.340233246485392,3.101637931034483,1933,2,0,1.0
OADMET-0003674,CC(O)=C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,1.78,2.9014450709025064,2.795725806451613,77,0,1,2.0
OADMET-0003673,Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,1.83,3.00072447458903,2.811071428571428,1932,3,0,1.0
OADMET-0003672,FC(F)OC(F)(F)C(F)Cl,1.95,3.1795822779337564,3.0979268292682924,1931,4,0,1.0
OADMET-0003671,O=C(CCCCCCC(=O)Nc1ccccc1)NO,3.25,2.566130002339681,2.5691379310344833,215,3,0,1.0
OADMET-0003670,N=C(N)NN=Cc1c(Cl)cccc1Cl,4.41,2.845590591430664,2.795725806451613,1930,3,0,1.0
OADMET-0003669,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,4.71,3.0284106731414795,2.9914062500000007,1929,2,0,1.0
OADMET-0003668,COc1ccc(OC)c(C(O)C(C)N)c1,2.94,3.5161070028940835,3.4971951219512194,83,4,0,1.0
OADMET-0003667,NC(=O)CN1C[C@H](O)CC1=O,2.25,1.9543591737747192,2.29,1928,1,0,1.0
OADMET-0003666,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,4.43,4.4322919845581055,4.543097826086957,1927,1,0,1.0
OADMET-0003665,Nc1ccc2cc3ccc(N)cc3nc2c1,4.95,2.4486850102742515,2.5691379310344833,1926,2,0,1.0
OADMET-0003664,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,3.4,4.869760195414226,4.821480836236933,152,3,1,2.0
OADMET-0003663,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C,4.57,5.176630973815918,4.9999852507374625,1925,3,0,1.0
OADMET-0003662,N[C@H](CO)C(=O)O,2.02,2.2199645042419434,2.353951612903226,626,3,0,1.0
OADMET-0003661,CC(COc1ccccc1)N(CCCl)Cc1ccccc1,4.9,4.633990128835042,4.776467889908257,1924,4,0,1.0
OADMET-0003660,Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O,4.58,4.067536910374959,4.092280701754386,152,3,1,2.0
OADMET-0003659,CC[N+](C)(C)Cc1ccccc1Br,2.89,2.771850347518921,2.795725806451613,1923,0,0,1.0
OADMET-0003658,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1,1.87,3.4344939390818277,3.4971951219512194,1922,1,1,2.0
OADMET-0003656,O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,4.53,3.6302629311879477,3.571791044776119,612,1,0,1.0
OADMET-0003655,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1,3.96,4.88812239964803,4.821480836236933,1921,2,0,1.0
OADMET-0003654,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,2.27,2.4243969917297363,2.5691379310344833,627,2,0,1.0
OADMET-0003653,COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,3.4,2.609255393346151,2.7054255319148934,1920,3,0,1.0
OADMET-0003652,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,6.58,3.4739800294240317,3.4971951219512194,1919,4,0,1.0
OADMET-0003651,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1,4.83,3.6466759045918784,3.575,1918,0,0,1.0
OADMET-0003650,Oc1ccc(OCc2ccccc2)cc1,1.82,3.078251759211222,2.9914062500000007,95,1,0,1.0
OADMET-0003649,CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,6.69,4.597026983896892,4.776467889908257,244,1,0,1.0
OADMET-0003648,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,4.45,4.146625677744548,4.355306748466257,1917,0,0,1.0
OADMET-0003647,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,4.75,4.28488556543986,4.355306748466257,1916,2,0,1.0
OADMET-0003646,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,4.21,4.835770606994629,4.821480836236933,10,1,1,2.0
OADMET-0003645,Nc1ccncc1,3.68,2.49851131439209,2.5691379310344833,51,2,1,2.0
OADMET-0003644,Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,4.67,5.046248118082683,4.9999852507374625,1915,3,0,1.0
OADMET-0003643,CSCCC(N)C(=O)O,1.87,2.2193311055501304,2.353951612903226,626,3,0,1.0
OADMET-0003642,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-],2.74,3.197129408518473,3.0979268292682924,29,0,1,2.0
OADMET-0003641,Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C,1.98,4.806263446807861,4.821480836236933,1914,4,0,1.0
OADMET-0003640,Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1,5.03,4.483647505442302,4.59815,1913,0,0,1.0
OADMET-0003639,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,2.04,2.7117857933044434,2.7054255319148934,617,1,0,1.0
OADMET-0003638,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,5.33,4.314215660095215,4.47620253164557,1912,1,0,1.0
OADMET-0003637,O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,3.88,4.97503678003947,4.988000000000001,295,1,0,1.0
OADMET-0003636,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,4.3,4.431552569071452,4.543097826086957,1911,2,0,1.0
OADMET-0003634,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,3.9,3.426481564839681,3.4971951219512194,625,4,0,1.0
OADMET-0003633,CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,1.82,2.123944878578186,2.31875,1910,3,0,1.0
OADMET-0003631,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,4.89,4.563456376393636,4.682475247524752,1909,4,0,1.0
OADMET-0003630,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],5.66,6.0915021896362305,5.726304347826088,94,4,0,1.0
OADMET-0003629,O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,4.89,4.52775764465332,4.619999999999999,1908,0,1,2.0
OADMET-0003628,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,2.54,2.1138292948404946,2.31875,1907,4,0,1.0
OADMET-0003627,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,2.95,2.7278006871541343,2.795725806451613,1906,0,0,1.0
OADMET-0003626,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,5.88,6.011244297027588,5.726304347826088,94,4,1,2.0
OADMET-0003625,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,6.21,5.143635908762614,4.9999852507374625,94,4,0,1.0
OADMET-0003624,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,1.9,2.9225148359934487,2.795725806451613,1905,1,0,1.0
OADMET-0003623,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,4.7,5.08859904607137,4.9999852507374625,624,0,0,1.0
OADMET-0003622,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,1.74,2.950273593266805,2.811071428571428,1904,4,0,1.0
OADMET-0003621,Cc1ccc(-c2ccc(C)cn2)nc1,1.77,4.2492438952128095,4.355306748466257,1903,1,0,1.0
OADMET-0003620,CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,3.89,3.860368331273397,3.916360294117648,1902,2,1,2.0
OADMET-0003619,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,4.37,5.013575394948323,4.998154761904762,1901,3,0,1.0
OADMET-0003618,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,4.35,4.855294863382976,4.821480836236933,295,1,1,2.0
OADMET-0003617,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,4.92,4.731430848439534,4.817948717948719,152,3,1,2.0
OADMET-0003616,CN1CCN2c3ncccc3Cc3ccccc3C2C1,4.04,4.582009156545003,4.682475247524752,1900,4,0,1.0
OADMET-0003615,Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,3.29,2.129568417867025,2.353951612903226,93,0,1,2.0
OADMET-0003614,COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,4.56,3.677428722381592,3.6602857142857137,82,4,1,2.0
OADMET-0003613,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,2.69,2.6227057774861655,2.7054255319148934,18,4,1,2.0
OADMET-0003612,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,4.57,4.714066346486409,4.817948717948719,619,4,0,1.0
OADMET-0003611,Clc1ccccc1CN1CCc2sccc2C1,4.28,4.138052304585774,4.311111111111112,623,1,0,1.0
OADMET-0003610,Oc1c(Cl)cc(Cl)c2cccnc12,1.82,3.995552142461141,4.031000000000001,151,4,1,2.0
OADMET-0003609,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,4.47,3.9679770469665527,4.031000000000001,1899,0,0,1.0
OADMET-0003608,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,5.55,5.296289602915446,5.067031249999999,1898,1,0,1.0
OADMET-0003607,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,3.59,3.81594451268514,3.916360294117648,622,2,0,1.0
OADMET-0003606,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,3.81,3.0279200871785483,2.9914062500000007,1897,2,0,1.0
OADMET-0003605,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,4.34,3.782198508580526,3.8408219178082192,1896,3,0,1.0
OADMET-0003604,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,4.88,4.705998261769612,4.817948717948719,620,3,0,1.0
OADMET-0003603,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,5.2,4.039661963780721,4.092280701754386,1895,4,0,1.0
OADMET-0003602,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,5.09,3.499361991882324,3.4971951219512194,1894,0,0,1.0
OADMET-0003600,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,2.65,4.0648423830668134,4.092280701754386,294,2,1,2.0
OADMET-0003599,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,4.75,4.789793332417806,4.821480836236933,621,2,1,2.0
OADMET-0003598,Nc1ccc(S(N)(=O)=O)cc1,1.78,2.4842416445414224,2.5691379310344833,88,2,1,2.0
OADMET-0003597,O=[N+]([O-])c1ccc(O)c2ncccc12,2.06,2.893482287724813,2.795725806451613,1893,1,0,1.0
OADMET-0003596,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,3.21,4.281309763590495,4.355306748466257,295,1,1,2.0
OADMET-0003595,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,2.51,3.711507717768351,3.8408219178082192,293,3,0,1.0
OADMET-0003594,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,4.65,5.163406848907471,4.9999852507374625,1892,2,0,1.0
OADMET-0003593,CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12,4.31,3.386324326197306,3.4971951219512194,615,3,0,1.0
OADMET-0003592,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,5.08,4.211302280426025,4.355306748466257,620,3,0,1.0
OADMET-0003591,Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,3.29,4.906465530395508,4.834642319277108,93,0,1,2.0
OADMET-0003590,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,4.26,3.326819578806559,3.101637931034483,1891,3,0,1.0
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,3.73,4.089548349380493,4.164821428571428,1890,4,0,1.0
OADMET-0003588,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,5.18,4.776590983072917,4.821480836236933,1889,0,0,1.0
OADMET-0003587,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,5.14,4.947710355122884,4.988000000000001,619,4,0,1.0
OADMET-0003586,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.77,3.3561678727467856,3.101637931034483,614,4,0,1.0
OADMET-0003585,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,1.74,2.598617951075236,2.7054255319148934,1888,1,1,2.0
OADMET-0003584,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,4.43,3.854333480199178,3.916360294117648,1887,2,0,1.0
OADMET-0003583,C#CCN(C)Cc1ccccc1,2.59,3.872966686884562,3.916360294117648,618,0,0,1.0
OADMET-0003582,COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,1.79,2.7771692276000977,2.795725806451613,617,1,0,1.0
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,2.04,4.2571940422058105,4.355306748466257,1886,3,0,1.0
OADMET-0003580,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,4.81,4.846095720926921,4.821480836236933,616,2,0,1.0
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,2.45,3.9700377782185874,4.031000000000001,1885,4,0,1.0
OADMET-0003578,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,1.79,2.210826873779297,2.353951612903226,93,0,1,2.0
OADMET-0003577,CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,4.42,4.001214106877645,4.043714285714285,1884,0,0,1.0
OADMET-0003576,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,5.18,4.150759220123291,4.355306748466257,1883,3,0,1.0
OADMET-0003575,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,4.18,4.9561225573221845,4.988000000000001,1882,2,1,2.0
OADMET-0003574,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,2.36,2.402560551961263,2.4937500000000004,297,0,0,1.0
OADMET-0003573,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,4.52,4.099902391433716,4.164821428571428,294,2,1,2.0
OADMET-0003572,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,1.82,3.2817413806915283,3.101637931034483,1881,2,0,1.0
OADMET-0003571,CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,2.24,4.414322058359782,4.543097826086957,293,3,0,1.0
OADMET-0003570,CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12,4.65,3.7010679244995117,3.6602857142857137,615,3,0,1.0
OADMET-0003569,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.75,4.086315472920735,4.092280701754386,614,4,0,1.0
OADMET-0003567,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,5.24,4.808282693227132,4.821480836236933,1880,3,0,1.0
OADMET-0003566,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,4.68,4.189798514048259,4.355306748466257,613,0,0,1.0
OADMET-0003565,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,1.96,2.1606906255086265,2.353951612903226,1879,4,0,1.0
OADMET-0003564,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,4.84,5.620016256968181,5.284131355932205,94,4,1,2.0
OADMET-0003563,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,6.09,5.8584818840026855,5.562857142857142,160,3,0,1.0
OADMET-0003562,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,5.42,4.61351219813029,4.776467889908257,150,0,1,2.0
OADMET-0003561,c1ccc2[nH]c(-c3cscn3)nc2c1,2.11,3.9179863135019937,3.916360294117648,1878,0,0,1.0
OADMET-0003560,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,3.0,2.0755982398986816,2.31875,1877,1,0,1.0
OADMET-0003557,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,4.69,4.687628746032715,4.817948717948719,1876,2,0,1.0
OADMET-0003556,O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,3.98,3.6075406074523926,3.571791044776119,72,1,0,1.0
OADMET-0003555,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,4.0,3.447084585825602,3.4971951219512194,150,0,1,2.0
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,4.71,4.139599879582723,4.311111111111112,1875,3,0,1.0
OADMET-0003553,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,4.12,4.777457237243652,4.821480836236933,150,0,1,2.0
OADMET-0003552,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,4.24,3.666508674621582,3.6602857142857137,150,0,0,1.0
OADMET-0003551,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,4.94,5.166365782419841,4.9999852507374625,1874,4,0,1.0
OADMET-0003550,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,5.25,4.969056924184163,4.988000000000001,1873,0,0,1.0
OADMET-0003549,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,4.18,3.4876279830932617,3.4971951219512194,1872,1,0,1.0
OADMET-0003548,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,4.18,3.2940094470977783,3.101637931034483,1871,2,0,1.0
OADMET-0003547,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,4.75,3.959611256917318,4.0285714285714285,292,1,0,1.0
OADMET-0003546,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,4.34,4.123888651529948,4.164821428571428,612,1,0,1.0
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)CC1,4.6,4.742372194925944,4.817948717948719,1870,3,0,1.0
OADMET-0003544,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,4.7,4.407740116119385,4.543097826086957,611,2,0,1.0
OADMET-0003543,CNC[C@H](O)c1cccc(O)c1,1.82,2.8392346700032554,2.795725806451613,1869,4,0,1.0
OADMET-0003542,Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2,5.69,4.403791427612305,4.543097826086957,610,0,0,1.0
OADMET-0003541,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,2.92,3.5785356362660727,3.571791044776119,1868,0,0,1.0
OADMET-0003540,CNC(C)Cc1ccccc1OC,2.09,4.072121699651082,4.092280701754386,7,3,0,1.0
OADMET-0003539,CNCCc1ccccn1,2.38,2.61030650138855,2.7054255319148934,478,3,0,1.0
OADMET-0003538,NCc1ccc(S(N)(=O)=O)cc1,2.57,2.395824591318766,2.4937500000000004,88,2,0,1.0
OADMET-0003537,CCOC(=O)N1CSCC1C(=O)O,1.77,2.078052798906962,2.31875,609,3,0,1.0
OADMET-0003536,Cn1c(Cc2cccs2)nc2cc(C(=O)N3CC(Cc4ccc(F)cc4F)C3)ccc21,5.82,4.548479398091634,4.682475247524752,1867,1,0,1.0
OADMET-0003535,CC1C(=O)Nc2cc(-c3nc(-c4ccc(N5CCCC5)nc4)no3)ccc2N1C,2.62,4.401418526967366,4.543097826086957,511,3,0,1.0
OADMET-0003534,Cc1cc(F)c2c(c1)NC(C(=O)NCC1CC13CCSCC3)C2,5.66,5.446732838948567,5.262840909090909,1866,2,0,1.0
OADMET-0003533,CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(Cl)cc1,5.58,5.6508863766988116,5.284131355932205,591,3,1,2.0
OADMET-0003532,CCN(CC)C(=O)CSc1nnc(-c2cc(Cl)ccc2OC)[nH]1,5.62,4.644402186075847,4.817948717948719,1865,3,0,1.0
OADMET-0003531,Cc1ccccc1-c1noc(C(C)N2CCCC2c2c(C)nn(C)c2C)n1,5.91,4.4437181154886884,4.5774358974358975,1864,4,0,1.0
OADMET-0003530,CC(C)(C)[C@@H]1OCC[C@H]1c1noc(C2OCCc3ccccc32)n1,5.6,5.486401398976644,5.284131355932205,280,0,0,1.0
OADMET-0003529,CN(C(=O)C1(c2c(Cl)cccc2Cl)CCC1)[C@H]1C[C@@H](C(N)=O)C1,5.74,5.425549189249675,5.262840909090909,1863,0,0,1.0
OADMET-0003528,Cn1ncc2ccc(CNc3ncnc4ccc(F)cc34)cc21,1.91,2.5982499917348227,2.7054255319148934,502,1,0,1.0
OADMET-0003527,COc1ccc2c(-c3ccccc3)c(C(=O)NC(C)C)oc2c1,5.005,5.154081662495931,4.9999852507374625,581,1,0,1.0
OADMET-0003526,Cc1cc(F)ccc1-n1ccc(NC(=O)NCCS(=O)(=O)Nc2ccccc2)n1,6.63,5.3507920900980634,5.2117424242424235,1862,1,1,2.0
OADMET-0003525,Cc1cc(NCc2ccccc2OC(C)C)cc(C(N)=O)c1,5.42,5.761648495992024,5.284131355932205,1861,4,0,1.0
OADMET-0003524,Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,5.92,5.514796415964763,5.284131355932205,277,2,1,2.0
OADMET-0003523,Cc1cccc(-c2cncc(C(=O)N3CCc4ccc(S(=O)(=O)N5CCCC5)cc43)c2)c1,5.38,5.574950059254964,5.284131355932205,608,4,0,1.0
OADMET-0003522,Cc1n[nH]c2ccc(-c3cc4n(c3)C(C3CC3)CNC4=O)cc12,1.73,3.8963124752044678,3.916360294117648,574,3,0,1.0
OADMET-0003521,CCOc1cccc(NS(=O)(=O)c2ccnn2C2CCC2)n1,4.79,5.296654065450032,5.067031249999999,583,1,0,1.0
OADMET-0003520,CCn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1Cc2ccccc2C(c2ccccc2)C1,5.49,5.266869862874349,5.067031249999999,1860,2,0,1.0
OADMET-0003519,Cc1ccc(S(=O)(=O)Nc2cccc3nccnc23)cc1Cl,5.12,4.912693500518799,4.860652173913044,1859,2,0,1.0
OADMET-0003518,COCC1CN(C(=O)NCc2ccccc2OC2CCCC2)CC(C)O1,5.25,4.98621400197347,4.998154761904762,1858,1,1,2.0
OADMET-0003517,Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1,4.91,4.811648686726888,4.821480836236933,1857,0,0,1.0
OADMET-0003516,CC(=O)NC1Cc2ccccc2N(Cc2c[nH]nc2-c2ccc(C)o2)C1,5.29,5.029123465220134,4.9999852507374625,1856,1,0,1.0
OADMET-0003515,CC1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1c1ccccc1,5.14,5.036685307820638,4.9999852507374625,1855,2,0,1.0
OADMET-0003514,COC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1,5.35,5.133453210194905,4.9999852507374625,1854,3,0,1.0
OADMET-0003513,CNC(=O)Cn1ccc2ccc(NC(=O)C3(c4cc(F)cc(F)c4)CCCC3)cc21,5.66,4.920205593109131,4.888,1853,4,0,1.0
OADMET-0003512,CCc1cccc(C)c1NS(=O)(=O)c1cn(C(C)C)cn1,5.89,5.085816065470378,4.9999852507374625,144,4,0,1.0
OADMET-0003511,COCCN(C1CC1)S(=O)(=O)c1cccc2ccn(C)c12,5.55,5.526477654774983,5.284131355932205,1852,0,0,1.0
OADMET-0003510,CCc1c(C(=O)NC2(CNC(=O)C3COC(C)C3)CCCC2)oc2ccccc12,5.2,5.371976534525554,5.2117424242424235,1851,1,0,1.0
OADMET-0003509,N#Cc1ccnnc1N1CCCC(c2c[nH]c3ncccc23)C1,2.94,2.8959190050760903,2.795725806451613,1850,2,0,1.0
OADMET-0003508,CC(C)(C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1cccc(Cl)c1F,5.23,5.133966286977132,4.9999852507374625,1849,3,0,1.0
OADMET-0003506,COc1nccc(C(=O)N2CCCCC2Cc2ccccc2F)n1,5.14,5.449455261230469,5.262840909090909,147,1,1,2.0
OADMET-0003505,O=C1CCCN1Cc1ccc(Nc2nccc(Oc3ccccc3)n2)cc1,5.74,4.54094664255778,4.682475247524752,1848,4,0,1.0
OADMET-0003504,O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCC(c1ccccc1)N1CCOCC1,5.58,4.766394297281901,4.821480836236933,558,0,0,1.0
OADMET-0003503,Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCSCC(C)C3)c12,6.140000000000001,5.671376864115397,5.284131355932205,1847,0,1,2.0
OADMET-0003502,Cc1cc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)o1,5.35,4.695309956868489,4.817948717948719,1846,1,0,1.0
OADMET-0003501,Cc1c(CNS(=O)(=O)c2cocc2Br)noc1-c1ccccc1,5.23,5.253711859385173,5.067031249999999,1845,2,0,1.0
OADMET-0003500,O=C(NCc1cc2ccccc2o1)C1(Cc2ccc(F)cc2)CCOCC1,5.24,5.2597893079121905,5.067031249999999,1844,3,0,1.0
OADMET-0003499,COc1ccccc1-n1ncc(C(=O)NCC2(Cc3ccc(F)cc3)CC2)c1C,6.215,5.481266498565674,5.284131355932205,1843,4,1,2.0
OADMET-0003498,O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,5.39,4.498540719350179,4.59815,607,1,0,1.0
OADMET-0003497,COc1cccc(OCCN2CCN(C(=O)c3scnc3C(C)(C)C)CC2)c1,2.95,3.9884373346964517,4.031000000000001,1842,0,1,2.0
OADMET-0003496,COc1cccc(C2(CNC(=O)Cc3c(C)nn(-c4nc(C)cc(C)n4)c3C)CCCC2)c1,5.77,5.34428596496582,5.2117424242424235,1841,1,0,1.0
OADMET-0003495,COc1cccc(CC2CCN(C(=O)Nc3ccnc(C)n3)CC2)c1,3.42,3.3736394246419272,3.4971951219512194,1840,2,1,2.0
OADMET-0003493,CC(NC(=O)c1ncsc1Nc1ccccc1)c1ccc(NC(N)=O)cc1,5.42,4.13024886449178,4.311111111111112,1839,3,0,1.0
OADMET-0003492,CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCCC(C)C1,5.47,5.429230372111003,5.262840909090909,1838,4,0,1.0
OADMET-0003491,CC1(C)CN(S(=O)(=O)CCn2cnnn2)C1c1ccccc1,4.98,4.283902804056804,4.355306748466257,1837,3,0,1.0
OADMET-0003490,Cn1nccc1S(=O)(=O)N1Cc2ccccc2C(c2ccccc2)C1,5.57,5.342833201090495,5.2117424242424235,1836,2,0,1.0
OADMET-0003489,CNC(=O)CC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2NC2CCC2C2CC2)CC1,5.3,5.453531742095947,5.262840909090909,1835,1,0,1.0
OADMET-0003488,CCS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C2CC2)n(C)n1,5.37,4.940831025441487,4.988000000000001,272,0,0,1.0
OADMET-0003487,CN1CCN(S(=O)(=O)c2cc3ccccc3o2)C(c2ccccc2)C1,4.94,5.010870297749837,4.998154761904762,63,3,0,1.0
OADMET-0003486,Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NC(C)c3cccnc3)ccc2C)c(C)c1,5.880000000000001,5.342308044433594,5.2117424242424235,1834,1,0,1.0
OADMET-0003485,Cc1cc(F)cc2c1N(S(=O)(=O)c1n[nH]c3ncccc13)CCC2,5.57,5.2164872487386065,5.026367187500001,1833,2,0,1.0
OADMET-0003484,O=C(NCc1ccccc1N1CCCC1)c1occc1COc1ccccc1,5.39,5.554284572601318,5.284131355932205,606,0,0,1.0
OADMET-0003483,Cc1cccn2cc(CC(=O)NC3CCCOc4cc(F)ccc43)nc12,5.45,5.184388478597005,5.026367187500001,60,4,0,1.0
OADMET-0003482,CCS(=O)(=O)N1CCC(C(=O)N2CC(C)(C)C2C(C)C)CC1,5.43,4.8820540110270185,4.821480836236933,1832,3,0,1.0
OADMET-0003481,O=C(NCC1(c2ccccn2)CCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1,5.38,5.03070863087972,4.9999852507374625,507,1,0,1.0
OADMET-0003480,O=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn(C2CCOC2)c1,5.33,4.664971828460693,4.817948717948719,1831,4,1,2.0
OADMET-0003479,O=S(=O)(Nc1cnc2c(c1)CCC2)c1ccccc1C(F)F,4.92,5.6391855875651045,5.284131355932205,299,2,0,1.0
OADMET-0003478,O=C(Cc1cccc(F)c1)NCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1,1.83,2.8757925828297934,2.795725806451613,1830,0,0,1.0
OADMET-0003477,Cc1ccc(NC(=O)C2CCCN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2)nc1,5.9,5.4492340087890625,5.262840909090909,1829,1,0,1.0
OADMET-0003476,COc1ccccc1-c1nn(C)cc1C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1,4.79,4.527206897735596,4.619999999999999,149,1,1,2.0
OADMET-0003475,Cc1ccc(CNc2nc3ccccc3n2C(C)C)nc1,4.9,4.558134873708089,4.682475247524752,1828,2,0,1.0
OADMET-0003474,CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CC(C)(C)C1c1ccccc1,5.89,6.021154085795085,5.726304347826088,291,4,1,2.0
OADMET-0003473,CSc1ccnc(N2CCCC(C)(CNC(=O)C3(C)CCC3)C2)n1,5.98,5.711905479431152,5.284131355932205,1827,3,0,1.0
OADMET-0003472,CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1OCC,6.015000000000001,5.180429140726726,5.026367187500001,142,3,0,1.0
OADMET-0003471,Cc1cc(NC(=O)CCc2c[nH]nn2)cnc1N1CCCCC1C,5.4,5.009940306345622,4.998154761904762,1826,4,0,1.0
OADMET-0003470,Cc1ccc(-n2nc(C)cc2NC(=O)CN2CCOCC3(CCCC3)C2)cc1,5.82,4.631284713745117,4.776467889908257,140,0,0,1.0
OADMET-0003469,CCCC(C)c1cc(NS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)[nH]n1,4.82,4.818548202514648,4.821480836236933,252,2,0,1.0
OADMET-0003468,CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(C#N)c(SC)[nH]c1=O,1.85,3.7891454696655273,3.8408219178082192,595,1,0,1.0
OADMET-0003467,CC(C)N(C)c1ccccc1NS(=O)(=O)c1cnn(C2CCC2)c1,6.494999999999999,5.733301480611165,5.284131355932205,63,3,1,2.0
OADMET-0003466,CC1CN(C(=O)NCC2CCOc3ccccc32)Cc2ccccc2O1,5.3,5.069665273030599,4.9999852507374625,290,2,0,1.0
OADMET-0003465,Cc1nc(C(=O)NC(C)C(C)(C)c2ccccc2)nn1-c1nnc(C(F)(F)F)[nH]1,5.54,5.282297134399414,5.067031249999999,1825,0,0,1.0
OADMET-0003464,COc1ccc(C(NC(=O)N2Cc3ccccc3C2)C2CC2)cn1,5.16,5.157863775889079,4.9999852507374625,107,0,1,2.0
OADMET-0003463,C[C@H]1C[C@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)c2ccsc2S1(=O)=O,5.14,5.178728262583415,5.026367187500001,1824,0,0,1.0
OADMET-0003462,CCC1CCc2nc(NC(=O)c3c(C)nn(C)c3-n3cccn3)sc2C1,4.92,4.930062452952067,4.888,1823,2,0,1.0
OADMET-0003461,CNC(=O)CCOc1ccc(Nc2ncnc3ccsc23)cc1,1.76,1.7754884163538616,2.1492857142857145,1822,3,0,1.0
OADMET-0003460,CN(C)C(=O)[C@@H]1CCCN1c1nc(-c2ccccc2C(F)(F)F)cs1,5.555,5.446554183959961,5.262840909090909,1821,4,0,1.0
OADMET-0003459,Cc1cc(C)cc(-c2nnc(NC(=O)N3CCNC(=O)C3C(C)C)s2)c1,5.04,4.654574871063232,4.817948717948719,1820,0,0,1.0
OADMET-0003458,Cc1nc(NCc2ccc(N3CCOC(C)C3)nc2)c2c(C)csc2n1,2.05,3.924733559290568,3.916360294117648,1819,1,0,1.0
OADMET-0003457,CCn1ncc2c(=O)n(CC3CCC(c4ccccc4)CC3)cnc21,5.25,4.5373687744140625,4.682475247524752,1818,2,0,1.0
OADMET-0003456,Cc1cc(C(=O)NCc2cccc(-c3cccnc3)c2)n(C)n1,1.79,2.49548602104187,2.5691379310344833,1817,3,1,2.0
OADMET-0003455,O=C(NCc1ncc[nH]1)C1(c2cccc(Br)c2)CCCCC1,5.47,5.365682284037272,5.2117424242424235,1816,4,0,1.0
OADMET-0003454,Cn1cc(-c2ccc(C(=O)N3CCCC(n4ccnn4)CC3)o2)cn1,1.78,3.3129940827687583,3.101637931034483,39,2,1,2.0
OADMET-0003453,O=C(NCc1ccc2occc2c1)NC1CCCc2cn(C3CCCC3)nc21,5.28,5.032896518707275,4.9999852507374625,172,0,0,1.0
OADMET-0003452,CC(C)c1[nH]ccc1C(=O)NC1COc2c1ccc(Cl)c2Cl,5.67,5.21264632542928,5.026367187500001,1815,0,0,1.0
OADMET-0003451,COC1(C(=O)NC2CCN(c3ccccc3OC(F)F)C2)CCCCC1,5.66,5.412798245747884,5.262777777777777,65,4,1,2.0
OADMET-0003450,Cc1ccc(F)c2c1CCCN2C(=O)c1nc(-c2cnn(C)c2)oc1C,5.28,5.278379440307617,5.067031249999999,605,1,0,1.0
OADMET-0003449,CC(C)(C)c1ncc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cn1,5.57,4.775559902191162,4.821480836236933,542,2,1,2.0
OADMET-0003448,O=C(NCc1cccc(CO)c1)N1CCCC1Cc1ccc(F)cc1,5.01,4.7830203374226885,4.821480836236933,363,3,0,1.0
OADMET-0003447,CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCCN(S(C)(=O)=O)C1,5.49,4.9668623606363935,4.988000000000001,1814,4,0,1.0
OADMET-0003446,Cc1csc(C(C)(C)NC(=O)c2cc3c(C)c(C)ccc3[nH]2)n1,5.35,5.221493562062581,5.026367187500001,1813,0,0,1.0
OADMET-0003445,CC(C)C(Cc1ccc(F)cc1)N(C)C(=O)Cc1ncccc1F,5.21,5.296954154968262,5.067031249999999,1812,1,1,2.0
OADMET-0003444,Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(C(N)=O)co2)n1,2.55,4.198373794555664,4.355306748466257,1811,4,0,1.0
OADMET-0003443,O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCCC(OCCO)C1,2.49,3.093439976374308,2.9914062500000007,1810,1,0,1.0
OADMET-0003442,Cc1cccc(S(=O)(=O)N2CC(c3ccccc3)OCC2(C)C)c1C#N,6.325,5.914736906687419,5.6371875000000005,1809,2,0,1.0
OADMET-0003441,COc1ccc(CNC(=O)N2CC3(CC=CC3)C2C(C)C)cc1OC(F)F,5.75,6.093486467997233,5.726304347826088,1808,3,1,2.0
OADMET-0003440,O=C(NC(Cc1ccccc1)c1ncco1)N[C@H]1CCC[C@@H](C2CC2)C1,5.49,4.767969131469727,4.821480836236933,1807,4,0,1.0
OADMET-0003439,Cc1cc(Cl)cc(C(=O)N(C(C)CS(C)(=O)=O)C2CC2)c1,5.33,5.175027688344319,4.9999852507374625,1806,0,0,1.0
OADMET-0003438,Cc1cccc(Cl)c1S(=O)(=O)Nc1cc2n(n1)CCCC2,6.0,5.478678067525228,5.284131355932205,604,2,1,2.0
OADMET-0003437,CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCc3ccccc3CC2)cn1,5.955,5.156591574350993,4.9999852507374625,1805,1,1,2.0
OADMET-0003436,Cc1cccc2c1N(C(=O)CCc1nc(C3CCCC3)no1)CCC2,5.859999999999999,5.414424896240234,5.262777777777777,1804,2,1,2.0
OADMET-0003435,CC(C)C1CCc2ccccc2N1C(=O)c1csc(-c2cnn(C)c2)n1,5.56,5.822986125946045,5.529772727272728,289,2,1,2.0
OADMET-0003434,CC1CCCN(c2cc(C(=O)N3CCCc4cc(C#N)ccc43)ccn2)C1,6.01,5.540757973988851,5.284131355932205,1803,3,0,1.0
OADMET-0003433,CCN1c2ccccc2N(CC(=O)N2CCCc3ccccc32)S1(=O)=O,5.83,6.075811227162679,5.726304347826088,603,2,0,1.0
OADMET-0003432,CC(CS(C)(=O)=O)c1nc(C2(c3cccc(Cl)c3)CCC2)no1,5.48,5.443186601003011,5.262840909090909,1802,4,0,1.0
OADMET-0003431,CCc1ccc(NC(=O)N2CC(COC)(C3CCC3)C2)cc1F,5.7,4.774078845977783,4.821480836236933,524,0,1,2.0
OADMET-0003430,COc1nn(C)cc1NC(=O)N1CC(Cc2ccccc2Br)C1,3.79,4.358521302541097,4.477399999999999,1801,0,0,1.0
OADMET-0003429,Cc1ccc(C2(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)CCC2)cc1,5.31,4.935593128204346,4.888,1800,1,0,1.0
OADMET-0003428,COc1ccc(C2(c3noc(CC4CCOCC4)n3)CCCC2)cc1OC,5.09,4.415352503458659,4.543097826086957,328,2,0,1.0
OADMET-0003427,O=S(=O)(c1ccccn1)N1CC2(CCCCC2)C1c1ccccc1,5.34,5.739077568054199,5.284131355932205,1799,2,0,1.0
OADMET-0003426,CC1(C)C(CNC(=O)NCc2cccc3ccsc23)C1(F)F,5.49,4.331145604451497,4.47620253164557,1798,3,0,1.0
OADMET-0003425,CN1CCCN(S(=O)(=O)c2cccc(NCc3cc(F)cc(C(F)(F)F)c3)c2)CC1,5.59,5.2329421043396,5.026367187500001,1797,4,0,1.0
OADMET-0003424,COC(=O)c1sccc1C(=O)N1CC(c2ccccc2)(C(C)C)C1,5.69,5.347253322601318,5.2117424242424235,1796,0,0,1.0
OADMET-0003423,c1ccc(COc2cccc(CNc3ncnc4sccc34)c2)nc1,3.0,3.264176607131958,3.0979268292682924,568,4,1,2.0
OADMET-0003422,Cc1ccoc1C(=O)N1CCCCC1c1nc(-c2ccccc2)c[nH]1,5.53,4.926675478617351,4.888,40,1,0,1.0
OADMET-0003421,COc1cncc(N2CCN(C(=O)c3c(OC)cnc4ccccc34)CC2)c1,3.38,3.945445696512858,3.916360294117648,1795,1,0,1.0
OADMET-0003420,CC1(C)CC(NC(=O)Nc2ccn(CC(F)(F)F)n2)c2ccccc21,5.3,5.687031586964925,5.284131355932205,1794,2,0,1.0
OADMET-0003419,CCOC(CS(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1,5.68,5.568057537078857,5.284131355932205,1793,3,1,2.0
OADMET-0003418,Cc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CCOc2cccc(F)c2C1,5.44,5.366672992706299,5.2117424242424235,1792,4,0,1.0
OADMET-0003417,CC(C)(C)c1ccc(S(=O)(=O)N2CC(O)Cc3ccccc32)s1,5.87,5.998981634775798,5.6915,1791,0,0,1.0
OADMET-0003416,O=C(c1ccccc1)N1CCC(Nc2cc(C(F)(F)F)nc3ncnn23)CC1,4.81,4.154387791951497,4.355306748466257,1790,3,0,1.0
OADMET-0003415,Cc1cc(C(C)C)nc(N2CCN(C(C)c3nc(C4CC4)no3)CC2)n1,5.89,5.029831250508626,4.9999852507374625,1789,2,0,1.0
OADMET-0003414,CC(C)C1CCc2ccccc2N1C(=O)Cn1ncc(=O)c2ccccc21,6.845,6.100186347961426,5.726304347826088,289,2,0,1.0
OADMET-0003413,O=C(NCCc1ccccc1OC(F)F)N1CCOCC(C2CCC2)C1,5.54,5.513083775838216,5.284131355932205,67,1,1,2.0
OADMET-0003412,Cn1ncc(C(=O)N(Cc2ccccc2)C2CCCC2(C)C)c1C#N,5.975,5.505956649780273,5.284131355932205,1788,2,0,1.0
OADMET-0003411,C[C@@H](NC(=O)NC(C1CC1)C1CCCCO1)c1ccc(-n2cccn2)c(F)c1,5.8,5.006069660186768,4.998154761904762,149,1,0,1.0
OADMET-0003410,O=C(CCc1ccncc1)N1CCC(Cc2ccccc2)C1,2.28,4.120186805725098,4.164821428571428,9,2,1,2.0
OADMET-0003409,Cc1nc(CC(=O)Nc2sc3c(c2C#N)CCCCCC3)c(C)s1,6.41,5.540973822275798,5.284131355932205,1787,3,0,1.0
OADMET-0003408,Cc1sc(NC(=O)CN(C(C)C)C2COC2)c(C#N)c1C,5.45,5.431179205576579,5.262840909090909,1786,4,0,1.0
OADMET-0003407,Cc1cccc(C)c1C1CCCN1C(=O)NCc1nccn1CC(C)C,5.48,5.962713559468587,5.6371875000000005,148,2,1,2.0
OADMET-0003406,Cc1ccc(S(=O)(=O)N(C)Cc2ccn(C(C)C)n2)cc1C,5.85,5.412952582041423,5.262777777777777,1785,0,0,1.0
OADMET-0003405,Cc1cc(C(=O)NC2CCN(c3ccccn3)C2)ncn1,2.42,2.6361161867777505,2.7054255319148934,288,3,0,1.0
OADMET-0003404,Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)c1Cl,5.88,5.527101039886475,5.284131355932205,1784,1,1,2.0
OADMET-0003403,CC(C)c1noc(=O)n1CC(=O)N1c2ccccc2CCC1C,5.61,5.509384791056315,5.284131355932205,137,4,0,1.0
OADMET-0003402,CC(C)c1ccc(OCC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1,5.81,4.808854738871257,4.821480836236933,80,2,1,2.0
OADMET-0003401,N#Cc1cc(C(=O)N2CC3(CCCCC3)C2c2ccccc2)c[nH]1,5.25,5.264344215393066,5.067031249999999,146,3,0,1.0
OADMET-0003400,Cc1[nH]c2ccccc2c1CC(=O)NC1CCCOC1CC(C)C,5.38,5.529978275299072,5.284131355932205,597,4,0,1.0
OADMET-0003399,CC(O)CN(c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1,5.3,4.970822811126709,4.988000000000001,602,0,0,1.0
OADMET-0003398,Cc1csc2c(=O)n(CC(=O)N3c4ccccc4CCC3C)cnc12,5.33,5.458398660024007,5.262840909090909,137,4,0,1.0
OADMET-0003397,CCn1ccnc1C1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1,6.470000000000001,4.7643890380859375,4.817948717948719,1783,2,0,1.0
OADMET-0003396,O=C(C1CC1)N1CCCN(c2ccccc2S(=O)(=O)C(F)F)CC1,5.33,6.046335061391194,5.726304347826088,62,4,0,1.0
OADMET-0003395,COc1ccccc1CC1CCCN1C(=O)c1cnn(C(C)(C)C)c1,5.58,5.9190778732299805,5.6371875000000005,147,1,0,1.0
OADMET-0003394,CCc1ccc(C(O)CNc2ncnc3[nH]ncc23)cc1,1.74,2.8219641049702964,2.795725806451613,1782,3,0,1.0
OADMET-0003393,CCc1nc(C#N)cc(Oc2ccc3c(c2)CN(C)C3=O)n1,1.97,3.681593736012777,3.6602857142857137,1781,4,0,1.0
OADMET-0003392,NC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)O1,3.33,2.3942155838012695,2.4937500000000004,1780,0,0,1.0
OADMET-0003391,Cc1cc(COCC(=O)N2CCCN(c3ccccc3F)CC2)no1,5.06,4.680104891459147,4.817948717948719,24,3,0,1.0
OADMET-0003390,Cc1onc(-c2cccs2)c1C(=O)Nc1cnn(C(C)C2CC2)c1,5.29,4.963457743326823,4.988000000000001,60,4,0,1.0
OADMET-0003389,COc1ccc(Cl)cc1C(O)CNC(=O)c1cccc2c1OCC2,5.31,5.404123783111572,5.234230769230769,158,4,1,2.0
OADMET-0003388,Cc1cc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cnc1N,5.5,5.428472677866618,5.262840909090909,157,1,0,1.0
OADMET-0003387,CS(=O)(=O)c1ccc2c(c1)N(C(=O)C1OCCc3ccccc31)CCO2,4.97,5.114156881968181,4.9999852507374625,1779,1,0,1.0
OADMET-0003386,CC(=O)N(C)c1ccc(NC(=O)C(C)Oc2cccnc2)cn1,3.35,3.2122905254364014,3.0979268292682924,1778,2,0,1.0
OADMET-0003385,CC(C)(C)C1CN(c2cc(CO)cc(C(F)(F)F)n2)CCO1,5.48,5.249201933542888,5.026367187500001,1777,3,0,1.0
OADMET-0003384,CC(C)(C)c1coc(CNC(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2F)n1,5.16,5.675563971201579,5.284131355932205,281,1,0,1.0
OADMET-0003383,C=CCn1cccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C,5.38,4.204512755076091,4.355306748466257,1776,4,0,1.0
OADMET-0003381,O=C(NCc1nnc2ccc(C(F)(F)F)cn12)N1CC2CSCC(C2)C1,4.635,5.027339776357015,4.9999852507374625,1775,0,0,1.0
OADMET-0003380,Cc1nnnn1-c1ccc(C(=O)N2CC(C)Cc3ccccc32)c(F)c1,5.02,4.633421579996745,4.776467889908257,1774,1,0,1.0
OADMET-0003379,Cc1cc(C(=O)NC(CO)c2ccccc2C(F)(F)F)oc1C,5.68,4.994217713673909,4.998154761904762,556,2,1,2.0
OADMET-0003378,CCc1ccc(S(=O)(=O)N2CCCc3cnn(C)c32)cc1,5.51,5.467941919962565,5.269615384615386,1773,2,0,1.0
OADMET-0003377,Cc1c(Br)cccc1CCNC(=O)c1ncoc1C1CC1,5.57,5.155843893686931,4.9999852507374625,1772,3,1,2.0
OADMET-0003376,Cc1cc(F)ccc1CC(C)NC(=O)N1CCCC(C2CCCCO2)C1,5.81,5.742980480194092,5.284131355932205,287,4,0,1.0
OADMET-0003375,COC(=O)c1cnc(NC(C)c2nccc(C)n2)cc1C(F)(F)F,5.19,4.859958012898763,4.821480836236933,1771,4,0,1.0
OADMET-0003374,COc1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)C1CC1)CCC2,5.16,5.437229951222737,5.262840909090909,166,3,0,1.0
OADMET-0003373,O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(-c2ccncc2)on1,1.86,2.775815486907959,2.795725806451613,47,0,1,2.0
OADMET-0003372,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(Cl)c1O,5.37,5.57815949122111,5.284131355932205,246,2,0,1.0
OADMET-0003371,CC(NC(=O)c1snc(O)c1Cl)c1cc(F)ccc1N(C)C,5.05,4.128853956858317,4.164821428571428,601,3,0,1.0
OADMET-0003370,CC(c1nnc[nH]1)N1CC=C(c2cncc3ccccc23)CC1,2.45,4.163206497828166,4.355306748466257,1770,0,0,1.0
OADMET-0003369,Cc1[nH]c2ncnn2c(=O)c1CCOC(=O)c1cncc(C(C)C)c1,1.96,3.707402149836222,3.6602857142857137,600,0,0,1.0
OADMET-0003368,Cc1cn(C)nc1CS(=O)(=O)Cc1c(C)cc(C(C)(C)C)cc1C,6.27,5.026689529418945,4.9999852507374625,1769,1,0,1.0
OADMET-0003367,CC(C)n1nnc(NC(=O)N2CC3(CCC3)C2c2ccccc2)n1,5.56,5.215633074442546,5.026367187500001,146,3,0,1.0
OADMET-0003366,Cn1nccc1C1(NC(=O)Nc2nc(C(C)(C)C)ns2)CC1,5.59,5.551355044047038,5.284131355932205,1768,1,0,1.0
OADMET-0003365,CC(C)C1CCc2ccccc2C1NC(=O)CS(=O)(=O)C(C)(C)C,5.58,6.016431490580241,5.726304347826088,163,1,0,1.0
OADMET-0003364,Cc1c(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)nnn1-c1cccc2ncccc12,3.18,4.441102027893066,4.543097826086957,1767,3,0,1.0
OADMET-0003363,O=C(NC1CCN(C2CCCCC2)C1=O)N[C@]1(c2ccccc2F)C[C@@H](F)C1,5.84,4.802400588989258,4.821480836236933,99,3,0,1.0
OADMET-0003362,Cc1csc(CNC(=O)c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1,5.61,5.117599964141846,4.9999852507374625,1766,3,0,1.0
OADMET-0003361,CNC(=O)Nc1cccc(C(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)c1,1.88,3.2758564949035645,3.0979268292682924,286,2,1,2.0
OADMET-0003360,CC1(C)C=Cc2cccc(NCC(O)CC3(O)CCCC3)c2O1,5.39,5.438513278961182,5.262840909090909,1765,2,0,1.0
OADMET-0003358,O=C(c1cccc(C(F)(F)F)c1O)N1CCOC(C2CCCCC2)C1,4.86,4.87960163752238,4.821480836236933,1764,2,0,1.0
OADMET-0003357,N#CCc1ccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c(Cl)c1,6.255,5.268064498901367,5.067031249999999,1763,3,0,1.0
OADMET-0003356,Cc1cnc2c(cnn2CC(=O)NC2(c3ccccc3Cl)CC2)c1,5.45,5.757414976755778,5.284131355932205,253,4,0,1.0
OADMET-0003355,CCc1cc(N2CCC(NC(=O)c3cccc(C)c3F)CC2)ncn1,2.96,4.284505367279053,4.355306748466257,527,0,1,2.0
OADMET-0003354,CC1CNCC(Cn2cc(-c3cn4ccccc4n3)nn2)C1,3.9,4.02662992477417,4.043714285714285,1762,4,0,1.0
OADMET-0003353,COc1ccccc1C1CCN(C(=O)c2nccc3cccnc23)C1,5.64,5.178506851196289,5.026367187500001,599,0,0,1.0
OADMET-0003352,COCC(C)(C)c1noc([C@@H](C(C)C)N2Cc3ccccc3C2=O)n1,5.59,5.072749614715576,4.9999852507374625,1761,0,0,1.0
OADMET-0003351,COc1ccc(O)c(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1,5.07,4.46984338760376,4.59815,598,4,1,2.0
OADMET-0003350,CCc1cc(NC(=O)N2CC3(CCCC3)C2c2ccccc2)no1,5.82,5.297972520192464,5.067031249999999,146,3,0,1.0
OADMET-0003349,COc1c(C)cnc(CN(C)C(=O)NC2CCCOC2CC(C)C)c1C,5.41,5.391319910685222,5.234230769230769,597,4,0,1.0
OADMET-0003348,COc1ccccc1-c1cn(Cc2noc3c2CC(C)(C)CC3)nn1,6.33,5.4873277346293134,5.284131355932205,59,0,1,2.0
OADMET-0003347,CN1CCN(C(=O)Nc2ccc(N3CCCCC3)nc2)Cc2ccccc21,5.83,4.662918408711751,4.817948717948719,256,0,0,1.0
OADMET-0003346,C=C1CCN(C(=O)Nc2nnc(SCc3ccccc3)s2)C1,5.34,5.143307685852051,4.9999852507374625,596,3,0,1.0
OADMET-0003345,CCC(Cc1ccc(C)cc1)NC(=O)NC(c1cccc(C(F)(F)F)c1)c1nnc[nH]1,4.975,5.2831095059712725,5.067031249999999,1760,1,0,1.0
OADMET-0003344,Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cc(-c2ccco2)[nH]n1,6.26,5.385704358418782,5.234230769230769,245,3,1,2.0
OADMET-0003343,Cc1c(Cl)c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)nn1C,5.965,5.021773338317871,4.9999852507374625,1759,2,0,1.0
OADMET-0003342,COc1cc(C)nc(N2CCN(C(=O)c3cccc(C(C)C)n3)CC2)n1,5.38,4.703243096669515,4.817948717948719,92,0,1,2.0
OADMET-0003341,O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2ccccc12,6.09,5.559281508127849,5.284131355932205,314,4,1,2.0
OADMET-0003340,C[C@H]1CCN(C(=O)c2ccccc2Oc2cnn(C)c2)[C@@H](C)C1,4.98,3.77530566851298,3.8408219178082192,1758,3,0,1.0
OADMET-0003339,CC(C)(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1)N1CCOCC1,2.62,3.2551587422688804,3.0979268292682924,1757,4,0,1.0
OADMET-0003338,CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1,5.42,4.635806401570638,4.776467889908257,595,1,0,1.0
OADMET-0003337,O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1C2CCC1c1cn[nH]c1C2,5.01,5.641942977905273,5.284131355932205,1756,0,0,1.0
OADMET-0003336,Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)c1,5.65,5.636088530222575,5.284131355932205,285,4,0,1.0
OADMET-0003335,Cc1nn(C)c(C)c1C(=O)NCc1c(C)c2ccccc2n1C,1.85,4.460589408874512,4.5774358974358975,1755,1,1,2.0
OADMET-0003334,CCN(C(=O)c1nc(CC(F)(F)F)sc1C)C12CC3CC(CC(C3)C1)C2,6.16,6.330495039621989,6.1775,1754,2,0,1.0
OADMET-0003333,CC1(Cc2cccs2)CCCN1C(=O)Cn1nnc2c1CCCC2,5.44,5.8182373046875,5.529772727272728,1753,3,0,1.0
OADMET-0003332,O=C(c1cc(Cl)ccc1NCc1ncnn1-c1ccccc1)N1CCCC1,5.29,5.328531901041667,5.16875,594,2,0,1.0
OADMET-0003331,COc1cccc(C(O)CNC(=O)c2ccc(N3CCCCCC3)nc2)c1,5.67,5.105378309885661,4.9999852507374625,30,1,0,1.0
OADMET-0003330,Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1c[nH]c2ccccc2c1=O,5.29,5.1927134195963545,5.026367187500001,1752,4,0,1.0
OADMET-0003329,Cn1nc(-c2nc(-c3ccc(C(F)(F)F)[nH]c3=O)no2)c2c1CCSC2,5.67,4.615420659383138,4.776467889908257,1751,0,0,1.0
OADMET-0003328,CNc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c2cc(C(F)(F)F)ccc12,5.13,5.1094512939453125,4.9999852507374625,535,3,1,2.0
OADMET-0003327,Cc1cccnc1S(=O)(=O)NCC(OC1CCCC1)C(F)(F)F,5.69,5.5013125737508135,5.284131355932205,1750,1,0,1.0
OADMET-0003326,Cn1nc(C(=O)Nc2cnc3c(c2)CCCC3)c2c1CCCC2,5.39,5.044626712799072,4.9999852507374625,1749,2,0,1.0
OADMET-0003325,O=C(NCc1cccc2c1OCO2)N1CCCC2(CC=CCC2)C1,5.69,5.812024116516113,5.529772727272728,1748,3,1,2.0
OADMET-0003324,CN1C(=O)CCCc2occ(C(=O)N3CCc4c3ccc(Cl)c4Cl)c21,5.86,5.5944755872090655,5.284131355932205,1747,4,0,1.0
OADMET-0003323,CCOc1cc(NC2CCN(C(=O)C3CCc4cccnc43)CC2)ncn1,2.69,4.607098579406738,4.776467889908257,284,0,0,1.0
OADMET-0003322,Cc1cccnc1C(NC(=O)c1csc2cncn12)C(C)(C)C,6.23,4.892627080281575,4.834642319277108,1746,0,0,1.0
OADMET-0003321,Cc1cccc2c1CN(C(=O)C1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2,5.84,4.9491761525472,4.988000000000001,1745,1,1,2.0
OADMET-0003320,Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1c(F)cccc1Cl,5.24,5.287068525950114,5.067031249999999,1744,0,0,1.0
OADMET-0003319,Cc1ccc(S(=O)(=O)CC(C)NC2CCC23CCCC3)cc1,5.13,5.131705125172933,4.9999852507374625,1743,4,0,1.0
OADMET-0003318,Cc1cccc(CC2(O)CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)c1,5.45,5.022416591644287,4.9999852507374625,593,1,0,1.0
OADMET-0003317,Nc1ccn2ncc(C(=O)NC3CC(=O)N(C4CC4)C3)c2c1,2.65,2.8486154874165854,2.795725806451613,1742,3,0,1.0
OADMET-0003316,CC(C)(C)c1ccc(S(=O)(=O)NCCCN2CCCCCC2=O)s1,5.945,5.822961330413818,5.529772727272728,1741,3,0,1.0
OADMET-0003315,COc1ccc(C2(NC(=O)c3c[nH]c4ncc(Br)cc34)CC2)cc1,5.1,4.466714382171631,4.5774358974358975,1740,4,0,1.0
OADMET-0003314,COC(=O)c1c(CN(CC2CCCC(C)C2)OC)nn2c1CCCC2,5.77,5.983614285786946,5.6915,90,1,0,1.0
OADMET-0003313,Cc1nn(C)cc1C1CCCN1C(=O)c1cnn(C2CCC2)c1,3.31,4.256063461303711,4.355306748466257,209,4,1,2.0
OADMET-0003312,CS(=O)(=O)NCc1ccc(C(=O)N2CCCCCc3ccccc32)o1,5.865,5.401167233784993,5.234230769230769,1739,0,0,1.0
OADMET-0003311,CCCc1c(NCc2nnnn2C(C)(C)C)cnn1-c1ccccc1C,5.78,5.490590413411458,5.284131355932205,1738,1,0,1.0
OADMET-0003310,CCOC(=O)c1cnc(NC2C(=O)NCC2(CC)CC)s1,5.64,5.041906674702962,4.9999852507374625,279,3,0,1.0
OADMET-0003309,CN(C)S(=O)(=O)c1cc(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccccc2)ccc1F,5.33,5.261016686757405,5.067031249999999,592,4,0,1.0
OADMET-0003308,NC(=O)C(Cc1ccccc1)n1cc(-c2cccc3c2CCCC3)nn1,5.0,5.0171135266621905,4.998154761904762,1737,2,0,1.0
OADMET-0003306,COc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)Oc2ccccc21,5.76,5.699895858764648,5.284131355932205,142,3,0,1.0
OADMET-0003305,O=C(Nc1ccc(C(F)(F)F)nn1)Nc1cc(CC2CCCCC2)n[nH]1,1.83,4.982288042704265,4.988000000000001,1736,3,0,1.0
OADMET-0003303,CC(=O)N1CCCN(Cc2nc(-c3ccc(F)c(C)c3)no2)c2ccccc21,5.62,5.5677774747212725,5.284131355932205,1735,4,1,2.0
OADMET-0003302,O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1cn[nH]c1,4.86,4.609219551086426,4.776467889908257,156,1,0,1.0
OADMET-0003301,CCc1cc(NC(=O)NC2Cc3ccccc3N(C)C2=O)ccc1C,5.42,5.151643594106038,4.9999852507374625,1734,0,0,1.0
OADMET-0003300,O=C(c1cc2ccccc2oc1=O)N1CCN(C2CC2)c2ccccc21,5.27,5.806712627410889,5.529772727272728,20,2,0,1.0
OADMET-0003299,O=c1c(NS(=O)(=O)c2cnn3c2CCCC3)cccn1C(F)F,4.75,5.171709378560384,4.9999852507374625,1733,1,0,1.0
OADMET-0003298,CCc1cccc(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1,5.85,5.390939871470134,5.234230769230769,144,4,0,1.0
OADMET-0003297,C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc(-c2ccsc2)nn1C,5.55,5.039131323496501,4.9999852507374625,254,1,0,1.0
OADMET-0003296,COc1ccccc1[C@H](O)CNC(=O)C1(c2cc(F)cc(F)c2)CCCC1,5.77,5.412093798319499,5.262777777777777,1732,2,1,2.0
OADMET-0003295,COc1cc(Cl)ccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1,1.73,4.129978179931641,4.164821428571428,145,3,0,1.0
OADMET-0003294,Cc1cccc2c1sc(=O)n2CC(=O)N1CCCCC1C,5.23,5.795375029246013,5.529772727272728,283,0,1,2.0
OADMET-0003293,CC(NC(=O)C1CCCN1C(=O)Cc1ccccc1)c1nc2ccccc2n1C,5.25,4.8671291669209795,4.821480836236933,282,4,0,1.0
OADMET-0003292,CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c2ccccc2O1,5.43,5.545231024424235,5.284131355932205,1731,2,0,1.0
OADMET-0003291,CN1CCN(C(=O)c2c3ccc(Br)cc3nn2C)c2ccc(F)cc21,5.865,5.367861270904541,5.2117424242424235,98,1,1,2.0
OADMET-0003289,C[C@@H](NC(=O)NCc1nc(C(C)(C)C)co1)c1ccc(Cl)cc1,5.2,5.606216748555501,5.284131355932205,281,1,0,1.0
OADMET-0003288,O=c1[nH]c(C2CCCCO2)nc2scc(-c3ccccc3Cl)c12,5.39,4.806308110555013,4.821480836236933,1730,4,0,1.0
OADMET-0003287,CC(C)(C(=O)N1CCCc2occc2C1)c1ccc(F)c(Cl)c1,5.27,5.833604176839192,5.529772727272728,591,3,0,1.0
OADMET-0003286,CC(C)CC1(c2nc(-c3ccccc3F)no2)CCNC1=O,5.51,5.07426389058431,4.9999852507374625,1729,0,0,1.0
OADMET-0003285,O=C(NS(=O)(=O)c1ccc(-n2cccn2)c(F)c1)c1ccnn1-c1ccccc1,1.73,4.1755218505859375,4.355306748466257,590,2,1,2.0
OADMET-0003284,O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@H]2CC[C@H](O)[C@H]21,4.89,5.1614610354105634,4.9999852507374625,589,4,0,1.0
OADMET-0003283,CN(C(=O)Nc1nc(C2CCOCC2)cs1)C1CCCC1C(C)(C)C,5.79,5.4301802317301435,5.262840909090909,1728,1,0,1.0
OADMET-0003282,CC1(C)CC(c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c2ccccc2O1,5.55,5.570937474568685,5.284131355932205,280,0,0,1.0
OADMET-0003281,Cc1noc2ncc(S(=O)(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)cc12,5.45,4.089393774668376,4.164821428571428,157,1,0,1.0
OADMET-0003280,Cn1cc(C#N)c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)n1,5.32,5.072984536488851,4.9999852507374625,1727,2,0,1.0
OADMET-0003279,O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCCC(F)(F)CC1,4.98,5.50433333714803,5.284131355932205,1726,3,1,2.0
OADMET-0003278,CC(NC(=O)CCc1ccc2[nH]ccc2c1)c1ccccc1NS(=O)(=O)c1cccs1,5.31,5.171627839406331,4.9999852507374625,1725,4,0,1.0
OADMET-0003277,CSc1ccccc1S(=O)(=O)N1CCCCC1c1cnn(C)c1,5.85,5.120675563812256,4.9999852507374625,1724,0,1,2.0
OADMET-0003276,O=C(NC1CCC(F)(F)CC1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2,5.79,5.784066041310628,5.284131355932205,160,3,0,1.0
OADMET-0003275,O=C1NCCC1(c1nc(C2(c3ccccc3)CCOCC2)no1)C1CCCC1,5.96,5.258234024047852,5.067031249999999,1723,1,0,1.0
OADMET-0003274,CCc1c[nH]c2ncnc(NCc3ccc(CO)c(F)c3)c12,1.74,1.8594735066095989,2.1492857142857145,1722,2,0,1.0
OADMET-0003273,CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC2(CCC2)c2ccccc21,5.54,6.210841337839763,5.726304347826088,1721,1,0,1.0
OADMET-0003272,Cc1cc(CS(=O)(=O)N2CCc3c(cccc3C(C)C)C2)no1,5.13,5.70684814453125,5.284131355932205,1720,2,0,1.0
OADMET-0003271,CCC1CN(C(=O)c2cnn3cccc(OC)c23)c2ccccc2O1,5.62,5.337389787038167,5.2117424242424235,1719,3,0,1.0
OADMET-0003270,CC(C)(C)c1nc(CCNS(=O)(=O)Cc2noc3c2CCCCC3)no1,5.99,5.479156335194905,5.284131355932205,1718,1,0,1.0
OADMET-0003269,Cc1ccnc(-c2cn(Cc3cccc4ccccc34)nn2)n1,5.83,4.814699649810791,4.821480836236933,1717,3,0,1.0
OADMET-0003268,COc1ccc(CNc2cc(OC)ncn2)c(OC2CCCC2)c1,4.99,4.954714934031169,4.988000000000001,1716,4,0,1.0
OADMET-0003267,COC1(c2ccnn2C)CN(c2ncnc3scc(C)c23)C1,1.75,3.3696961402893066,3.4,1715,0,0,1.0
OADMET-0003266,CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NS(=O)(=O)N(C)C2CCCC2)c1,6.18,5.648874918619792,5.284131355932205,536,2,1,2.0
OADMET-0003265,O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2c1,5.15,5.034559408823649,4.9999852507374625,1714,1,0,1.0
OADMET-0003264,O=C(c1ccc(F)c2ccncc12)N(Cc1ccccc1)C(CO)C1CCC1,5.265000000000001,5.320013999938965,5.067031249999999,1713,2,0,1.0
OADMET-0003263,Cc1cnn(-c2ccncc2N2C(=O)NC3(CC(c4ccccc4Cl)C3)C2=O)c1,4.78,4.895192941029866,4.834642319277108,1712,3,0,1.0
OADMET-0003262,C[C@H](NC(=O)C1(C#N)CC12CCCC2)c1ccc(Br)cc1F,5.2,5.192942937215169,5.026367187500001,1711,4,0,1.0
OADMET-0003261,Cc1ccnc2ccc(-c3ccc(N4CCC(O)C4)cc3)cc12,1.74,3.0439061323801675,2.9914062500000007,1710,0,0,1.0
OADMET-0003260,CCC(C)n1nc(NC(=O)NCc2nc(C)c(C)s2)cc1C,5.98,5.652373472849528,5.284131355932205,588,1,0,1.0
OADMET-0003258,Cc1nsc(N2CCCN(c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1,6.105,5.006316026051839,4.998154761904762,1709,1,0,1.0
OADMET-0003257,CC1(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC=CCC1,6.6850000000000005,5.340598106384277,5.2117424242424235,315,1,1,2.0
OADMET-0003256,Cc1ccc(CNC(=O)NC2(C)Cc3ccccc3C2)c(=O)n1C,5.09,5.388464132944743,5.234230769230769,1708,2,0,1.0
OADMET-0003255,CC(C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC1CCCC1O,5.18,4.985300858815511,4.998154761904762,1707,3,0,1.0
OADMET-0003254,O=C(CCCc1cccs1)Nc1nc2c(s1)C(=O)NCC2,2.93,3.7730517387390137,3.8408219178082192,1706,4,1,2.0
OADMET-0003253,O=C(c1ccnc(C(=O)N2CCCC3(CC3)C2)c1)N1CCCC2(CC2)C1,5.47,5.949326992034912,5.6371875000000005,587,3,1,2.0
OADMET-0003252,NC(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1,5.05,4.316031138102214,4.47620253164557,1705,0,0,1.0
OADMET-0003251,CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1,5.1,5.26066525777181,5.067031249999999,506,0,0,1.0
OADMET-0003250,CCC1CN(S(=O)(=O)c2ccccc2S(N)(=O)=O)c2cccc(Cl)c2O1,5.06,6.006589889526367,5.6915,551,4,0,1.0
OADMET-0003249,CCC1(CC)CNC(=O)C1NC(=O)c1nc(-c2ccco2)sc1C,5.08,5.400144577026367,5.234230769230769,279,3,0,1.0
OADMET-0003248,O=C(C1SCCc2sccc21)N1CCC(c2ccncc2)CC1,1.83,4.094252745310466,4.164821428571428,1704,1,1,2.0
OADMET-0003247,COc1ccc2cc(C(=O)NC(C)C3(N4CCOCC4)CCCC3)[nH]c2c1,5.26,5.03359317779541,4.9999852507374625,91,2,0,1.0
OADMET-0003246,CN(C)C(=O)N1CCC(C(=O)N2CCN(C3CC3)c3ccccc32)CC1,5.765000000000001,4.774477640787761,4.821480836236933,20,2,0,1.0
OADMET-0003245,CC(C)(CC#N)CS(=O)(=O)N1Cc2ccccc2C2(CC2)C1,5.31,5.871711889902751,5.562857142857142,1703,2,0,1.0
OADMET-0003244,Cc1cc(S(=O)(=O)Nc2cccc3c2OCCC3)sc1C,5.99,5.642308870951335,5.284131355932205,1702,3,1,2.0
OADMET-0003243,CC(Nc1ncnc2[nH]ccc12)c1ccc(OCc2cccnc2)cc1,1.91,2.9999547799428306,2.811071428571428,1701,4,0,1.0
OADMET-0003242,CC[C@@H]1C(=O)NCCCN1Cc1nc(-c2cccc(Cl)c2)no1,5.21,4.825409571329753,4.821480836236933,139,3,0,1.0
OADMET-0003241,Cc1cc(C2CC2)nc(NC(=O)c2nc3ccccc3cc2C2CC2)n1,5.83,5.619275093078613,5.284131355932205,1700,0,0,1.0
OADMET-0003240,O=C(CC1(c2ccccc2)CCCO1)Nc1nn(Cc2ccccc2F)cc1Br,6.215,5.428288459777832,5.262840909090909,1699,1,0,1.0
OADMET-0003239,CCc1cc(NC(=O)N2CCN(c3ncnc4sccc34)CC2)no1,3.78,2.433103322982788,2.5691379310344833,255,3,0,1.0
OADMET-0003238,COCC1CN(C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)CC(C)(C)O1,5.19,5.628587086995442,5.284131355932205,1698,2,0,1.0
OADMET-0003237,Cc1ccc(C2CC(C)N(S(=O)(=O)Cc3cccc(C#N)c3)C2)cc1,5.38,4.976706345876058,4.988000000000001,1697,0,0,1.0
OADMET-0003236,COc1ccc2nccc(N3CCCC(N4CCNC4=O)C3)c2c1,1.77,3.3395071824391684,3.101637931034483,1696,4,1,2.0
OADMET-0003235,CC1Cc2cccc(S(=O)(=O)Nc3ccc(OC(F)F)cn3)c2O1,5.19,5.73249626159668,5.284131355932205,1695,4,0,1.0
OADMET-0003234,CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1OCC,5.43,5.831333955128987,5.529772727272728,144,4,0,1.0
OADMET-0003233,COc1cc(S(=O)(=O)N2CCCc3cccc(OC)c32)sn1,5.58,5.568357944488525,5.284131355932205,1694,0,0,1.0
OADMET-0003232,O=C(N[C@H]1CC2(CCCC2)Oc2ccc(Cl)cc21)c1c[nH]nn1,4.65,5.018757343292236,4.998154761904762,1693,1,0,1.0
OADMET-0003231,Cc1ccc(F)c2oc(C(=O)NCC3CCC34CCOCC4)cc12,5.48,4.683058897654216,4.817948717948719,12,0,0,1.0
OADMET-0003230,CCN1CCN(C(=O)C(C)(C)c2csc(-c3c(Cl)cccc3Cl)n2)CC1=O,5.29,5.236552079518636,5.026367187500001,1692,2,0,1.0
OADMET-0003229,CC(NS(=O)(=O)c1cccc(Cl)c1O)c1cccc(S(=O)(=O)N(C)C)c1,4.97,5.198149522145589,5.026367187500001,1691,3,0,1.0
OADMET-0003228,CC1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)n1C,5.4,5.75845988591512,5.284131355932205,586,4,0,1.0
OADMET-0003227,c1ccc(OCC2CN(c3nc(-c4cccnc4)nc4ccccc34)CCO2)cc1,5.21,4.588638782501221,4.758571428571429,136,3,0,1.0
OADMET-0003226,O=C(c1noc2c1CCCCC2)N1CCn2cccc2C1c1ccccc1,5.77,5.330113887786865,5.16875,1690,4,0,1.0
OADMET-0003225,O=C(Cc1ccon1)N1CCN(c2ncnc3ccsc23)CC1,1.82,2.4877874851226807,2.5691379310344833,255,3,0,1.0
OADMET-0003224,CCOC(=O)c1oc2ccc(S(=O)(=O)N(C)Cc3c(C)noc3C)cc2c1C,4.12,4.809361934661865,4.821480836236933,1689,0,0,1.0
OADMET-0003223,COc1ccccc1CC(C)N(C)c1ccnc2c1c(C)nn2C,5.76,5.819571654001872,5.529772727272728,1688,1,0,1.0
OADMET-0003222,CC(NC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1)c1nc[nH]n1,5.1,5.394374847412109,5.234230769230769,1687,2,0,1.0
OADMET-0003221,CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CCc3cccnc31)CC2,5.74,5.465190887451172,5.269615384615386,284,0,1,2.0
OADMET-0003220,CCn1c(C2CCCN2c2cc(C)nc(OC)n2)nc2ccccc21,5.01,5.422055085500081,5.262777777777777,585,3,0,1.0
OADMET-0003219,CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1n[nH]c3ccccc3c1=O)C2,5.17,5.599803765614827,5.284131355932205,1686,3,0,1.0
OADMET-0003218,CN(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)c2ccccc2n1,5.11,4.969488143920898,4.988000000000001,143,4,0,1.0
OADMET-0003217,Cn1ccnc1CN1CCC(c2c[nH]c3ccccc23)CC1,4.220000000000001,3.8349414666493735,3.916360294117648,584,2,0,1.0
OADMET-0003216,COC(=O)c1cc2c(N3CC(C)c4ccc(OC)cc43)ncnc2[nH]1,1.78,3.5051283041636148,3.4971951219512194,1685,4,0,1.0
OADMET-0003215,O=S(=O)(Nc1cnc2c(F)cccc2c1)c1ccnn1C1CCC1,5.14,4.897219181060791,4.834642319277108,583,1,0,1.0
OADMET-0003214,CCOC(=O)C1(c2cn(Cc3nn(C)c4c3CCC4)nn2)CCC1,5.66,5.292433579762776,5.067031249999999,1684,0,0,1.0
OADMET-0003213,O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc2[nH]cnc2c1,1.75,2.501621643702189,2.5691379310344833,1683,1,1,2.0
OADMET-0003212,C=C(C)CN(C)c1ccc(Br)c(S(=O)(=O)N2CCOCC2CC2CCOC2)n1,5.98,5.314491271972656,5.067031249999999,1682,2,0,1.0
OADMET-0003211,CC(Sc1nncn1C)c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1,5.6,5.180909951527913,5.026367187500001,1681,3,0,1.0
OADMET-0003210,Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1,5.3,5.279371579488118,5.067031249999999,1680,4,1,2.0
OADMET-0003209,CCc1c(C)cccc1C(C(=O)NCC1CCOC1)N1CCC(CC(C)O)CC1,4.95,4.464253902435303,4.5774358974358975,1679,0,0,1.0
OADMET-0003208,CCOC1CC(N(C)CC(=O)Nc2nccs2)C12CCCCC2,5.13,4.646899223327637,4.817948717948719,1678,1,0,1.0
OADMET-0003207,CCn1ncc2c(C(=O)NC3CCCN(C)C3C)cc(C3CC3)nc21,5.67,4.727930545806885,4.817948717948719,1677,2,0,1.0
OADMET-0003206,O=c1[nH]nc(-c2nc(C3CCCc4ccccc43)no2)c2ccccc12,5.29,5.183079719543457,5.026367187500001,1676,3,0,1.0
OADMET-0003205,CCc1nc2ccc(Cl)cn2c1C(=O)NC(C)C1(OC)CCC1,5.14,4.556466102600098,4.682475247524752,1675,0,0,1.0
OADMET-0003204,Fc1cc(-c2noc(-c3cccc4[nH]ncc34)n2)ccc1Cn1cncn1,1.87,3.8449531396230063,3.916360294117648,1674,4,0,1.0
OADMET-0003203,CC(NC(=O)c1cccc(F)c1CNC(=O)OC(C)(C)C)c1cccc(OC(F)F)c1,5.78,5.602497895558675,5.284131355932205,1673,1,0,1.0
OADMET-0003202,O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1Cl,4.96,4.299642721811931,4.47620253164557,582,0,1,2.0
OADMET-0003201,COc1ccccc1C(CO)NC(=O)c1ccccc1CNC(=O)OC(C)(C)C,5.71,5.364499092102051,5.2117424242424235,7,3,0,1.0
OADMET-0003200,CC(=O)N1CCCc2ccc(NC(=O)C(NC(=O)CC(C)C)C(C)C)cc21,5.89,5.683481534322103,5.284131355932205,1672,0,0,1.0
OADMET-0003199,CC(C)(C)c1cccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)n1,5.78,5.778219858805339,5.284131355932205,1671,1,0,1.0
OADMET-0003198,Cc1ccc(S(=O)(=O)NCCN(C)Cc2nocc2C(C)C)cc1,5.68,5.255148569742839,5.067031249999999,1670,2,0,1.0
OADMET-0003197,O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC4CCCC4)c(F)c3)cc2o1,5.02,4.916012128194173,4.860652173913044,1669,3,0,1.0
OADMET-0003196,CC(Sc1nc2ccccc2s1)C(=O)NCC(C)(C)CNC(=O)c1c[nH]c(C#N)c1,5.16,4.626683394114177,4.776467889908257,1668,4,0,1.0
OADMET-0003195,O=C(Nc1ccc2ncccc2c1)C1(c2nccc3ccccc23)CC1,5.22,4.955333391825358,4.988000000000001,278,1,0,1.0
OADMET-0003194,Cc1cccnc1C(NC(=O)N1CC(=O)N(CC2CC2)C1)C(C)C,5.35,4.805863221486409,4.821480836236933,1667,0,1,2.0
OADMET-0003193,CCc1c[nH]c2ncnc(N3CCN(C4CCS(=O)(=O)C4)CC3)c12,1.76,2.187654972076416,2.353951612903226,89,2,0,1.0
OADMET-0003192,CC(=O)N1CC(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2C)Oc2ccccc21,5.975,5.593507766723633,5.284131355932205,1666,1,0,1.0
OADMET-0003191,COc1ccc2c(-c3ccccc3)c(C(=O)NC3CC(Cl)(Cl)C3)oc2c1,5.05,4.704433759053548,4.817948717948719,581,1,0,1.0
OADMET-0003190,CN(c1ccccc1C(N)=O)S(=O)(=O)c1c[nH]c2cc(Cl)ccc12,5.66,5.7729166348775225,5.284131355932205,1665,2,0,1.0
OADMET-0003189,Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,4.71,5.009615580240886,4.998154761904762,277,2,1,2.0
OADMET-0003188,Cc1c(-n2nnnc2SC2CCCN(CC(C)(C)C)C2=O)c(=O)n(-c2ccccc2)n1C,5.18,5.4864241282145185,5.284131355932205,1664,3,0,1.0
OADMET-0003187,CC(=O)Nc1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1,5.23,4.98466157913208,4.998154761904762,1663,4,0,1.0
OADMET-0003186,O=S(=O)(N[C@H]1C[C@@H]1c1ccc(Cl)c(F)c1)c1cnn2c1CNCC2,6.605,5.033685366312663,4.9999852507374625,1662,0,0,1.0
OADMET-0003185,O=C(CC1(O)CCC1)N1CCc2ccccc2[C@@H]1c1ccccc1,5.27,5.249484380086263,5.026367187500001,320,1,0,1.0
OADMET-0003184,O=C1CC2(CCc3ccccc32)C(=O)N1CCOc1ccccc1,5.15,5.444593747456868,5.262840909090909,1661,1,0,1.0
OADMET-0003183,CCC(CC(=O)NCCN(C)C(=O)C(C)n1nccc1C)C1CCC1,5.4,5.40412696202596,5.234230769230769,1660,2,0,1.0
OADMET-0003182,C=C1CC1C(=O)N(C)CCN(C)C(=O)c1cc2ccccc2c(OC)n1,5.11,5.071194012959798,4.9999852507374625,1659,3,0,1.0
OADMET-0003181,Cc1cccc(C)c1C1CCCN1C(=O)NC(c1ccccc1)C1CCOC1,5.64,5.826859792073567,5.529772727272728,148,2,1,2.0
OADMET-0003180,Cc1cc2c(cc1O)CCN(C(=O)C1(c3ccc4c(c3)OCO4)CCOCC1)C2,5.27,5.5281914075215655,5.284131355932205,1658,4,0,1.0
OADMET-0003179,COc1cccc(NC(=O)c2cc(C3CC3)nc3ccc(C)cc23)c1O,5.15,5.561115900675456,5.284131355932205,579,4,0,1.0
OADMET-0003178,CC(C)(Cc1ccc(O)cc1)C(=O)NCc1noc2ccc(F)cc12,4.81,4.551800727844238,4.682475247524752,1657,0,0,1.0
OADMET-0003177,O=C(Nc1nccs1)C1CCCN1C(=O)CCc1ccccc1O,4.6,4.631076018015544,4.776467889908257,580,0,0,1.0
OADMET-0003176,COCc1nccc(N(Cc2nc(C)cn2C)CC2CCCCC2)n1,4.78,4.561761061350505,4.682475247524752,1656,1,0,1.0
OADMET-0003175,CC(CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)N(C)C1CC1,4.86,4.710347334543864,4.817948717948719,1655,2,0,1.0
OADMET-0003174,CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC1CCN(C2CCCCC2)C1=O,5.27,5.359873294830322,5.2117424242424235,99,3,0,1.0
OADMET-0003173,CC1(C)CCc2sc(NC(=O)N3CC(C)(C)C3C3CCCO3)nc21,6.56,5.920619487762451,5.6371875000000005,1654,3,0,1.0
OADMET-0003172,OCC(Nc1nc(-c2ccccc2)ns1)c1cccc(Cl)c1F,5.46,5.368542353312175,5.2117424242424235,1653,4,0,1.0
OADMET-0003171,CN(CC1CN(c2nc(-c3ccccc3)c3ccccc3n2)CCO1)c1cccnn1,5.2,5.0883247057596845,4.9999852507374625,1652,0,0,1.0
OADMET-0003170,Cc1cccc2cc(C(=O)N3CCC[C@H](N(C)C(=O)c4cnc5ccccc5c4)C3)nn12,5.54,5.1819658279418945,5.026367187500001,1651,4,0,1.0
OADMET-0003168,COCCOc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,5.08,4.965079466501872,4.988000000000001,1650,3,0,1.0
OADMET-0003167,COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cc(C(O)C(F)(F)F)ccn1)CCC2,5.63,5.093859990437825,4.9999852507374625,1649,2,0,1.0
OADMET-0003166,CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCc3cc4n(n3)CCCO4)cc2)cc1,5.77,4.648758093516032,4.817948717948719,576,2,1,2.0
OADMET-0003165,CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2nc3ccccc3s2)c1,5.74,5.601288477579753,5.284131355932205,1648,2,0,1.0
OADMET-0003164,O=C(Nc1cnc2cccnn12)c1cc(C2CC2)nc2ccc(F)cc12,4.92,4.797131856282552,4.821480836236933,579,4,0,1.0
OADMET-0003163,Cc1cc(Br)cc(S(=O)(=O)Nc2cccc3cc[nH]c23)c1,5.3,5.872732321421306,5.562857142857142,578,4,0,1.0
OADMET-0003162,Cc1nc(NC(=O)C2CN(C)CCO2)sc1Cc1ccc(F)cc1F,5.55,4.828663984934489,4.821480836236933,276,1,1,2.0
OADMET-0003161,O=S(=O)(Nc1cnc(C2CC2)nc1)c1c[nH]c2ccccc12,5.15,4.817981243133545,4.821480836236933,577,3,0,1.0
OADMET-0003160,COc1cc(CNS(=O)(=O)c2ccc(-c3ccc(NC(C)=O)cc3)cc2)ccn1,3.89,4.387112458546956,4.477399999999999,576,2,1,2.0
OADMET-0003159,O=C(Nc1cnc(C2CC2)nc1)N1CC2(CCC2)C1c1ccccc1,5.1,5.3923366864522295,5.234230769230769,146,3,0,1.0
OADMET-0003158,O=C1CC2CCCC(CN1)N2C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1,6.39,4.873944282531738,4.821480836236933,1647,3,1,2.0
OADMET-0003157,Cc1n[nH]c2ccc(C(=O)NCC3(Cc4ccc(F)cc4)CCCC3O)cc12,3.03,5.309151490529378,5.067031249999999,533,3,0,1.0
OADMET-0003156,CC(C)(C)C1(CNC(=O)c2cccc(Br)c2Cl)CCNC1,5.015000000000001,4.68359915415446,4.817948717948719,1646,4,0,1.0
OADMET-0003155,Cc1cc(C)cc(-n2nc(C(=O)NC(C)(C)CN3CCOCC3)cc2C)c1,5.75,4.425276438395183,4.543097826086957,1645,0,0,1.0
OADMET-0003154,CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1csc(-c2nnc[nH]2)n1,5.6,4.772928078969319,4.821480836236933,1644,1,0,1.0
OADMET-0003153,CC(C)C1CN(C(=O)c2ccc(C#N)s2)c2ccccc2N1,5.52,6.061595439910889,5.726304347826088,1643,2,0,1.0
OADMET-0003152,Cc1cnc(C(=O)NC2CCc3ccccc3-n3ccnc32)c(C)c1,5.29,4.758208592732747,4.817948717948719,1642,3,0,1.0
OADMET-0003151,CCc1cnc(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)s1,5.63,4.181605815887451,4.355306748466257,275,0,1,2.0
OADMET-0003150,Cn1cc(C(=O)NCCc2ccc3ccccc3n2)c(-c2cc(F)ccc2F)n1,4.86,4.86912186940511,4.821480836236933,1641,4,0,1.0
OADMET-0003149,Cc1cc(-c2noc(C3CCCN3S(=O)(=O)c3cccs3)n2)ccc1O,5.74,5.085752169291179,4.9999852507374625,1640,0,0,1.0
OADMET-0003148,COCCN(C(=O)C1CCC1c1ccc(F)cc1)C1CCCc2cccnc21,5.66,5.363465627034505,5.2117424242424235,1639,1,1,2.0
OADMET-0003147,Cc1c[nH]c2nccc(-c3ccc4c(c3)C(=O)NCCO4)c12,1.74,2.083997885386149,2.31875,554,1,0,1.0
OADMET-0003146,O=C1NCc2c(NCc3ccc(C4CCCC4)cc3)cccc21,3.64,5.370773156483968,5.2117424242424235,1638,1,0,1.0
OADMET-0003145,CCc1c[nH]c2ncnc(N3CCc4c(CC(N)=O)cccc4C3)c12,3.29,2.980434020360311,2.811071428571428,89,2,1,2.0
OADMET-0003144,COc1ccc2c(c1)CCCC2Cn1c(=O)[nH]c2cccnc2c1=O,5.11,4.34073543548584,4.47620253164557,1637,3,0,1.0
OADMET-0003143,CC(CNC(=O)c1ccccc1Cn1cc(-c2cccc(Cl)c2)nn1)C(=O)OC(C)(C)C,5.68,5.95507017771403,5.6371875000000005,1636,4,0,1.0
OADMET-0003142,Brc1ccccc1C1CCCN1c1ncnc2[nH]ncc12,5.66,4.296017646789551,4.47620253164557,1635,0,0,1.0
OADMET-0003141,COC1(CNC(=O)c2nnc(C(C)(C)C)o2)CCCCCC1,5.69,5.02088991800944,4.9999852507374625,1634,1,0,1.0
OADMET-0003140,NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1,1.84,3.3320626417795816,3.101637931034483,1633,2,0,1.0
OADMET-0003139,O=C(C1CCCc2cccnc21)N1CC(O)(c2ccc(Br)cc2)C1,5.25,4.899268786112468,4.834642319277108,268,1,1,2.0
OADMET-0003138,Cn1ccc2c(C(=O)NCC3CSCCN3C(=O)c3cccc4c3ccn4C)cccc21,5.47,4.766320864359538,4.821480836236933,1632,3,0,1.0
OADMET-0003137,CC(C)(C)c1nn(CC(=O)N2CCCC2c2ccccc2)c(=O)o1,5.28,5.6207906405131025,5.284131355932205,575,2,0,1.0
OADMET-0003136,CCN(Cc1ccccc1Cl)C(=O)c1ccccc1OCC(=O)N(C)C,5.12,5.4655327796936035,5.269615384615386,1631,4,1,2.0
OADMET-0003135,COc1ccccc1CC(C)(C)NS(=O)(=O)c1cnc(N)c(C)c1,5.54,5.352781931559245,5.2117424242424235,1630,0,0,1.0
OADMET-0003134,Cn1cnc2cc(C(=O)Nc3cnn(-c4ccccc4)c3)ccc21,5.09,3.736880620320638,3.8408219178082192,203,4,0,1.0
OADMET-0003133,CCc1nnnn1-c1ccccc1NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1,6.22,5.256021976470947,5.067031249999999,1629,1,0,1.0
OADMET-0003132,COc1ccc(OC)c(C2CCCN2c2nc(C)cc(C#N)n2)c1,4.62,5.328157901763916,5.067031249999999,304,1,0,1.0
OADMET-0003131,Cc1nnc(-c2cccc(-c3noc(C4CC(=O)N(c5ccc6c(c5)CCC6)C4)n3)c2)[nH]1,5.11,4.19612995783488,4.355306748466257,1628,0,0,1.0
OADMET-0003130,CCc1nc(S(=O)(=O)N(CC#N)c2ccc(F)cc2C)cn1CC1CC1,5.56,5.425929069519043,5.262840909090909,1627,1,1,2.0
OADMET-0003129,Cc1n[nH]c2ccc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)cc12,2.87,2.583955446879069,2.5691379310344833,574,3,0,1.0
OADMET-0003128,CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3OCC2C)cc1C#N,4.859999999999999,4.402263164520264,4.543097826086957,309,0,0,1.0
OADMET-0003127,O=S(=O)(c1cccc(NCc2ccco2)n1)N1CCCC2CC21,5.44,5.8487958908081055,5.529772727272728,1626,2,0,1.0
OADMET-0003126,COc1ccc(C(NC(=O)N2CCC3(C2)C(=O)Nc2ccccc23)c2ccc(C)cc2)cc1,5.2,4.587110201517741,4.7175,1625,0,0,1.0
OADMET-0003125,COc1cc(NC(=O)C(C)c2c(F)cccc2F)cnc1OC,4.91,4.83770767847697,4.821480836236933,1624,2,0,1.0
OADMET-0003124,O=C(N[C@]12CC[C@H](C[C@@H]1n1cc(-c3ccc4c(c3)CCC4)nn1)C2)c1cnc2cn[nH]c2c1,5.99,5.293821811676025,5.067031249999999,1623,3,0,1.0
OADMET-0003123,CCC(Oc1ccccc1C)C(=O)N1CCC(c2ncccn2)C1,5.17,4.971988360087077,4.988000000000001,1622,4,0,1.0
OADMET-0003122,COc1cc(OC)cc(C(=O)N(C)Cc2cccc(C)c2)c1,5.37,5.004973729451497,4.998154761904762,573,4,0,1.0
OADMET-0003121,CN(C)Cc1cc(C(=O)NC(CC2CC2)c2cc(F)cc(Br)c2)no1,5.43,5.001524130503337,4.998154761904762,1621,0,0,1.0
OADMET-0003120,O=C1CCCN1Cc1ccccc1NCc1cnc(-c2ccsc2)s1,5.37,6.2034932772318525,5.726304347826088,1620,1,0,1.0
OADMET-0003119,CCOc1ccccc1CCC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1,5.17,3.7350329558054605,3.8408219178082192,1619,2,0,1.0
OADMET-0003118,COc1cc(OC)c(S(=O)(=O)n2nc(C)cc2C)cc1S(=O)(=O)n1nc(C)cc1C,6.3100000000000005,5.914000670115153,5.6371875000000005,1618,3,0,1.0
OADMET-0003117,COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1,5.08,5.878936131795247,5.562857142857142,142,3,1,2.0
OADMET-0003116,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc23)cc1,5.19,4.922334353129069,4.888,1617,4,1,2.0
OADMET-0003114,CN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3ccsc3)cc21,5.13,4.842897256215413,4.821480836236933,1616,0,0,1.0
OADMET-0003113,Cc1cc(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc12,5.62,4.7659562428792315,4.821480836236933,1615,1,1,2.0
OADMET-0003112,O=S(=O)(c1cncc(F)c1)N1CC(c2ccccc2)C2(CCC2)C1,5.54,5.067050298055013,4.9999852507374625,559,3,1,2.0
OADMET-0003111,N#Cc1cc(C(=O)N[C@H]2CC[C@H]2c2ccccc2)cnc1C(F)(F)F,5.71,5.5615234375,5.284131355932205,1614,2,0,1.0
OADMET-0003110,O=C(NCc1ccc(O)c(Cl)c1)C1(c2ccccc2)CCCO1,5.45,4.304296016693115,4.47620253164557,333,1,0,1.0
OADMET-0003109,O=C(NCC1(Cc2ccccc2)CCC1)c1cccc2cn[nH]c12,5.64,5.316456476847331,5.067031249999999,572,0,0,1.0
OADMET-0003108,CC1(c2ccccc2C(=O)N2CCOC3(CCS(=O)(=O)C3)C2)CC1,5.15,5.012614568074544,4.998154761904762,1613,3,0,1.0
OADMET-0003107,COC(=O)c1cnn(C)c1NC(=O)C(=O)NC1(Cc2ccc(Cl)cc2Cl)CCC1,5.48,5.590723355611165,5.284131355932205,1612,4,0,1.0
OADMET-0003106,CC1(C)CC(NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)c2ccc(F)cc2O1,5.43,4.85679308573405,4.821480836236933,74,3,0,1.0
OADMET-0003105,O=S(=O)(c1ccc(CNC2(Cc3ccc(F)cc3)CCOCC2)o1)N1CCCC1,5.5,5.268713156382243,5.067031249999999,1611,0,0,1.0
OADMET-0003104,CCc1cccnc1C(=O)NCc1cc2ccccc2n(C)c1=O,5.46,4.671214580535889,4.817948717948719,378,1,1,2.0
OADMET-0003103,O=C(NCC1(Cc2ccccc2)CCCCC1)C1CCCc2[nH]nnc21,5.22,5.236156463623047,5.026367187500001,572,0,0,1.0
OADMET-0003102,CC(C)c1c(C(=O)N[C@@H]2C=C[C@H](CO)C2)cnn1-c1ccccc1Cl,5.82,5.063324769337972,4.9999852507374625,1610,1,0,1.0
OADMET-0003101,Cc1cccc2oc(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cc12,5.61,4.94744332631429,4.988000000000001,274,3,0,1.0
OADMET-0003100,CCc1ncnc(NC(c2ccc(OC)cc2)c2nccn2C)c1F,4.99,4.5910689036051435,4.758571428571429,1609,2,0,1.0
OADMET-0003099,CC(C)C(=O)Nc1nc(CC(=O)N2CCCN(C)c3cc(F)ccc32)cs1,5.7,5.5590691566467285,5.284131355932205,1608,3,0,1.0
OADMET-0003098,CCC1(CC)CNC(=O)C1NC(=O)CCOc1ccccc1F,5.14,4.9947279294331866,4.998154761904762,1607,4,0,1.0
OADMET-0003097,CCOc1ccc(OCC)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1,5.9,5.335185368855794,5.2117424242424235,142,3,1,2.0
OADMET-0003095,O=C(Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1)C1CC1,4.77,3.9949235121409097,4.031000000000001,571,0,0,1.0
OADMET-0003094,COC(C)(C(=O)O)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1,5.02,3.6813459396362305,3.6602857142857137,1606,0,0,1.0
OADMET-0003093,O=C(NCCC1C(=O)Nc2ccccc21)c1cc2c(s1)CCCCC2,4.76,5.26066239674886,5.067031249999999,1605,1,0,1.0
OADMET-0003092,Cc1ccc(S(=O)(=O)NCCC(=O)N2CCNC(=O)C2)cc1C,3.69,4.0835245450337725,4.092280701754386,1604,4,0,1.0
OADMET-0003090,CC(NC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)C(=O)NCc1ccco1,4.86,5.123484293619792,4.9999852507374625,1603,3,0,1.0
OADMET-0003089,O=C(Cn1c(=O)oc2ccc(F)cc21)N1CCC(C(=O)N2CCCC2)CC1,2.08,3.9435907204945884,3.916360294117648,539,4,1,2.0
OADMET-0003088,CC12CC(NC(=O)N1Cc1cccc(F)c1)c1ccccc1O2,6.14,5.484165191650391,5.284131355932205,1602,3,1,2.0
OADMET-0003087,Cc1ccc2nc(NC(=O)N3CCc4cn[nH]c4C3)sc2n1,3.13,2.672193924585978,2.7054255319148934,570,1,0,1.0
OADMET-0003086,CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccnn1C1CCC1,2.01,3.620814641316732,3.571791044776119,1601,4,0,1.0
OADMET-0003085,Cn1cnc2c1CCN(C(=O)c1nc(-c3cccs3)n(-c3ccccc3)n1)C2,4.21,4.900134722391765,4.834642319277108,569,2,0,1.0
OADMET-0003084,Cc1ccc2c(c1)CN(C(=O)Nc1cc(C)n(C(C)C)n1)CCO2,5.42,4.80098025004069,4.821480836236933,1600,0,1,2.0
OADMET-0003083,Cc1ccc(-n2[nH]c(C(=O)NC(C)(C)C(C)(C)O)cc2=O)cc1,1.76,3.146137555440267,3.0979268292682924,1599,1,0,1.0
OADMET-0003082,c1cnc2ccc(CNc3ncnc4sccc34)cc2c1,1.77,2.5899226665496826,2.5691379310344833,568,4,1,2.0
OADMET-0003081,Cc1cccc(-c2noc(C3CN(C)C(=O)c4ccccc43)n2)c1,5.59,4.779127438863118,4.821480836236933,390,0,0,1.0
OADMET-0003080,Cc1c(C(C)C)n[nH]c1NC(=O)C(C)(C)Nc1ccccc1,4.89,4.7127641042073565,4.817948717948719,1598,2,0,1.0
OADMET-0003079,Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)nn1,2.88,4.390969117482503,4.477399999999999,1597,3,0,1.0
OADMET-0003078,CCOc1cccnc1N1CCN(c2nc(C)cc(C)n2)CC1,5.28,5.1329851150512695,4.9999852507374625,567,1,0,1.0
OADMET-0003077,CC(C)C(NC(=O)c1cc(C(F)F)n(C)n1)c1nnc2ccccn12,4.32,4.72983185450236,4.817948717948719,1596,4,0,1.0
OADMET-0003076,CCOC(=O)[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2nc[nH]c(=O)c12,3.86,3.163777510325114,3.0979268292682924,1595,0,0,1.0
OADMET-0003075,Nc1nccc(C2CCCN(C(=O)c3ccc(OC4CCCC4)nc3)C2)n1,4.99,4.7664079666137695,4.821480836236933,305,3,0,1.0
OADMET-0003073,CC(CO)(CNc1ncnc2sccc12)Cc1cccs1,3.14,3.3340291182200112,3.101637931034483,1594,1,1,2.0
OADMET-0003071,c1cc(C2(c3noc(Cc4cnn5c4CCCC5)n3)CCC2)ccn1,5.59,4.501418113708496,4.59815,1593,2,0,1.0
OADMET-0003070,CN(C)c1cncc(-c2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)c1,5.25,4.824762344360352,4.821480836236933,1592,3,0,1.0
OADMET-0003069,OCC(Nc1ncnc2c1oc1ccccc12)c1c(F)cccc1F,5.7,4.967276255289714,4.988000000000001,1591,4,0,1.0
OADMET-0003068,O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1,5.41,5.358980814615886,5.2117424242424235,157,1,0,1.0
OADMET-0003067,CC(C)(C)OC(=O)NC(c1nc(Cc2cccnc2)no1)C1CCC1,5.21,4.7378724416097,4.817948717948719,103,3,0,1.0
OADMET-0003066,CCCN1Cc2cccc(NS(=O)(=O)c3ccc(OC)c(F)c3C)c2C1,5.07,5.152975559234619,4.9999852507374625,1590,0,1,2.0
OADMET-0003065,Cc1ccc(F)c(Br)c1C(=O)NCC(C)(C)C1CCOCC1,5.14,4.628900051116943,4.776467889908257,566,0,1,2.0
OADMET-0003064,Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccc(C#N)n1C,5.32,4.762499809265137,4.817948717948719,1589,1,0,1.0
OADMET-0003063,O=C(NCc1nnc(C2CC2)o1)c1noc2c1CCc1ccccc1-2,5.11,4.621075789133708,4.776467889908257,1588,2,0,1.0
OADMET-0003062,Cc1cnc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2C)c(C)c1,4.84,4.970974445343018,4.988000000000001,1587,3,0,1.0
OADMET-0003061,Cc1c(CN(C)C(=O)c2nn(-c3ccccc3)c3c2CCC3)cnn1C,4.94,5.120146592458089,4.9999852507374625,1586,4,0,1.0
OADMET-0003060,CCc1ccc(NCc2nc(C)c(C)s2)cc1S(N)(=O)=O,5.45,5.095969041188558,4.9999852507374625,1585,0,0,1.0
OADMET-0003059,Cc1ccc2[nH]c(C(=O)N3CCNC(=O)C3c3ccccc3F)cc2c1,5.17,4.494755585988362,4.59815,31,3,0,1.0
OADMET-0003057,CC(C)c1nccc(N2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)n1,2.1,3.9676225980122886,4.0285714285714285,1584,1,0,1.0
OADMET-0003056,NC(=O)c1cccc(NC(=O)NCC2C3CC4CC(C3)CC2C4)c1,4.94,5.243715127309163,5.026367187500001,1583,2,1,2.0
OADMET-0003055,Cc1cc(NS(=O)(=O)c2cc(F)ccc2OC(C)C)cnc1C,5.63,5.5761644045511884,5.284131355932205,273,2,1,2.0
OADMET-0003054,O=c1[nH]c(-c2ccncn2)nc2sc(-c3ccccc3)cc12,3.63,4.263780911763509,4.355306748466257,1582,2,0,1.0
OADMET-0003053,O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2CCC(O)C2C1,4.87,5.073937098185222,4.9999852507374625,1581,4,0,1.0
OADMET-0003052,CC(C)(NS(C)(=O)=O)c1cn(-c2cc(Cl)cc(Cl)c2)nn1,4.84,4.51564884185791,4.59815,565,1,0,1.0
OADMET-0003051,COc1ccc(NC(=O)NC(C)c2cccc(C#N)c2)cc1S(=O)(=O)NC1CC1,5.21,5.311075528462728,5.067031249999999,564,1,0,1.0
OADMET-0003050,c1cc(N2CCCC2)ncc1-c1nc(-c2cn(C3CC3)nn2)cs1,3.8,4.484780629475911,4.59815,1580,4,0,1.0
OADMET-0003049,COCc1nnc([C@]23CC[C@H]2CCN3C(=O)c2cc(O)c3ccsc3c2)o1,5.18,5.201239109039307,5.026367187500001,1579,3,0,1.0
OADMET-0003048,CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccccc3C)CCC1)C2,6.46,5.60105037689209,5.284131355932205,1578,3,1,2.0
OADMET-0003047,C=CCn1c(SCC(=O)NCc2ccco2)nc2scc(-c3ccc(C)cc3)c2c1=O,5.03,4.804658889770508,4.821480836236933,1577,4,0,1.0
OADMET-0003046,O=C(c1ccc2c(c1)CCCN2)N1CCCCC1C(F)F,5.355,5.164473056793213,4.9999852507374625,1576,0,0,1.0
OADMET-0003045,COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,5.22,5.143311023712158,4.9999852507374625,563,0,0,1.0
OADMET-0003044,COc1cc(Cl)ccc1S(=O)(=O)NC(C)c1nc2ccccc2n1C(F)F,5.59,5.7293159166971845,5.284131355932205,546,0,0,1.0
OADMET-0003043,COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(C)C,6.34,5.86966594060262,5.562857142857142,563,0,1,2.0
OADMET-0003042,Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)cs1,5.0,4.443090915679932,4.5774358974358975,562,2,0,1.0
OADMET-0003041,CC(C)CCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,5.36,5.328862031300862,5.16875,561,3,0,1.0
OADMET-0003040,Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1,5.04,4.565717379252116,4.682475247524752,1575,1,0,1.0
OADMET-0003039,CCS(=O)(=O)N1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1,5.42,4.650214513142903,4.817948717948719,1574,2,0,1.0
OADMET-0003038,O=C(NC1CC1)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(F)cc2F)cc1,4.87,5.217265923817952,5.026367187500001,1573,3,0,1.0
OADMET-0003037,N#Cc1c(NC(=O)c2cccc(F)c2Cl)n(CCc2ccccc2)c2nc3ccccc3nc12,5.58,5.316244443257649,5.067031249999999,1572,4,0,1.0
OADMET-0003036,COc1ccc(-n2c(SCc3cc(C)no3)nc3ccccc3c2=O)cc1,5.11,4.738918304443359,4.817948717948719,1571,0,0,1.0
OADMET-0003035,COc1ccc(OCC(=O)NCC2c3ccccc3C(=O)N2C)cc1,5.27,4.623721917470296,4.776467889908257,123,4,1,2.0
OADMET-0003034,O=C(Nc1cccc(N2CCNC2=O)c1)N1Cc2ccccc2C(c2ccccc2)C1,5.22,4.6263454755147295,4.776467889908257,538,3,0,1.0
OADMET-0003033,CC(C)c1ccccc1NC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C,5.16,5.747028986612956,5.284131355932205,1570,1,0,1.0
OADMET-0003032,COc1cc(Cl)ccc1NC(=O)c1cccc(Nc2cnccn2)c1,4.31,4.681733767191569,4.817948717948719,560,2,0,1.0
OADMET-0003031,CC(NC(=O)CC(C)(C)C)C(=O)NCC1CCN(c2ccc(F)c(F)c2)C1,4.99,5.215835412343343,5.026367187500001,1569,2,0,1.0
OADMET-0003030,Cc1ccc(C)c(NC(=O)C(c2ccccc2)N2CCC(c3nnc4ccccn34)CC2)c1,5.04,4.857850074768066,4.821480836236933,1568,3,0,1.0
OADMET-0003029,Cc1scc(C(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCCC3)c1C,5.44,5.639081001281738,5.284131355932205,1567,4,0,1.0
OADMET-0003028,CC(NC(=O)N1CC(O)CC1C1CC1)c1cccc2cccnc12,5.22,5.184678395589192,5.026367187500001,1566,0,0,1.0
OADMET-0003027,CC(C)(C)c1nc(-c2nc3cccc(F)c3c(=O)[nH]2)co1,4.98,5.43809445699056,5.262840909090909,1565,1,0,1.0
OADMET-0003026,CC(C)(C)OC(=O)NC1CCCC2CN(C(=O)C3(Cc4ccccc4)CC3)CC21,5.8,5.919678846995036,5.6371875000000005,1564,2,0,1.0
OADMET-0003025,O=c1c2ccccc2n2c(SCC3CC3)nnc2n1Cc1ccccc1,5.6,5.364707152048747,5.2117424242424235,1563,3,0,1.0
OADMET-0003024,CC1(C)CC(NC(=O)CCn2cnc3ccccc3c2=O)c2ccc(F)cc2O1,5.09,4.768778483072917,4.821480836236933,74,3,1,2.0
OADMET-0003023,COc1ccc(S(=O)(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1Cl,4.88,4.763657410939534,4.817948717948719,1562,4,0,1.0
OADMET-0003022,CC1(C)CCN(c2nccnc2S(N)(=O)=O)CC1c1ccccc1,5.19,5.843812942504883,5.529772727272728,1561,0,0,1.0
OADMET-0003021,CCC(C)NC(=O)c1ccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1,5.53,5.40385373433431,5.234230769230769,1560,1,0,1.0
OADMET-0003020,COc1ccc(C(CC(=O)N2CCC(C)C3(CCC3)C2)NC(C)=O)cc1,5.28,5.522978941599528,5.284131355932205,1559,2,0,1.0
OADMET-0003019,C[C@H]1[C@H]2CN(S(=O)(=O)c3csc4ccccc34)[C@]1(C(=O)O)C2,4.63,4.402809460957845,4.543097826086957,1558,1,0,1.0
OADMET-0003018,CC(COCC1CCCCC1)NC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F,4.65,4.669103463490804,4.817948717948719,1557,0,0,1.0
OADMET-0003017,CC(CC(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1)C1CCCCC1,6.205,3.832720994949341,3.916360294117648,1556,4,1,2.0
OADMET-0003016,O=C(NC1CCCOc2cc(F)ccc21)c1ccc(N2CCCC2=O)cc1,4.75,5.269177118937175,5.067031249999999,60,4,0,1.0
OADMET-0003015,COCC1(c2noc(-c3cccc(C)c3O)n2)CCCCO1,4.91,4.815833727518718,4.821480836236933,1555,4,0,1.0
OADMET-0003014,CC(Nc1ncnc2sc3c(c12)CCC3)c1ncccn1,5.24,3.7836251258850098,3.8408219178082192,1554,0,0,1.0
OADMET-0003013,Cc1ccc(CNC(=O)Nc2nnc(-c3ccccn3)s2)c(OC(C)C)c1,4.78,5.50373109181722,5.284131355932205,1553,1,0,1.0
OADMET-0003012,CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNS(=O)(=O)CCn1cccn1,4.78,4.0381920337677,4.092280701754386,1552,2,0,1.0
OADMET-0003011,CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1cccc(C(F)(F)F)c1,5.72,5.603741486867269,5.284131355932205,1551,3,1,2.0
OADMET-0003010,Cc1onc(N)c1S(=O)(=O)N1CC(c2ccccc2)C2(CCC2)C1,5.63,5.3728048006693525,5.2117424242424235,559,3,0,1.0
OADMET-0003009,O=C(NS(=O)(=O)c1cccc2c1OC(F)(F)O2)C1C2CCCCC21,4.94,4.807811419169108,4.821480836236933,1550,4,0,1.0
OADMET-0003008,COc1ccccc1C1(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)CCC1,5.27,5.9188768068949384,5.6371875000000005,62,4,1,2.0
OADMET-0003007,CC(C)n1ncc2cc(NS(=O)(=O)c3cncc(Cl)c3)cnc21,4.6,4.942644437154134,4.988000000000001,1549,0,0,1.0
OADMET-0003006,CC(NS(=O)(=O)C1=Cc2cc(Cl)ccc2OC1)C1CCOC1,5.15,5.138540267944336,4.9999852507374625,1548,1,0,1.0
OADMET-0003005,Cc1cccc(N2CC(C(=O)N(C)c3ccc(Cl)cn3)CC2=O)c1C,5.17,4.672258377075195,4.817948717948719,1547,2,0,1.0
OADMET-0003004,O=C(NCc1ccccc1-c1ccncc1)C(O)c1cccc(C(F)(F)F)c1,5.16,4.702663580576579,4.817948717948719,1546,3,0,1.0
OADMET-0003003,O=C1CNC(=O)c2ccc(C(=O)N3CC4CCCCC43c3ccccc3)cc2N1,5.23,5.311188220977783,5.067031249999999,1545,3,0,1.0
OADMET-0003002,Cn1nc(CNC(=O)Nc2cccnc2-c2ccccc2)cc1C1CC1,5.38,4.6991316477457685,4.817948717948719,272,0,0,1.0
OADMET-0003001,O=C(NCC(c1cccc(Cl)c1)N1CCOCC1)c1cccc2c1CCC2,5.46,5.536256154378255,5.284131355932205,558,0,1,2.0
OADMET-0003000,C=C1CCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1,4.69,4.432739893595378,4.543097826086957,1544,0,1,2.0
OADMET-0002999,CC(C(=O)NCC1CC(=O)N(Cc2ccccc2)C1)c1cn(C)c2ccccc12,5.11,4.893331050872803,4.834642319277108,510,3,0,1.0
OADMET-0002998,CCn1cccc(NC(=O)N2CCCC(C(C)C)CC2)c1=O,5.28,5.8407518068949384,5.529772727272728,557,1,0,1.0
OADMET-0002997,OCC1(NCc2cc(O)cc(Cl)c2)CCCc2ccccc21,5.25,5.112138748168945,4.9999852507374625,1543,1,0,1.0
OADMET-0002996,O=C(Cc1ccc2[nH]ncc2c1)NCC[C@H]1CCCC[C@H]1O,3.65,4.021222114562988,4.043714285714285,1542,2,0,1.0
OADMET-0002995,O=C(c1ccccc1)N1CCC(C(=O)N2CCCc3n[nH]cc32)CC1,3.43,3.740369955698649,3.8408219178082192,1541,3,1,2.0
OADMET-0002994,CC(C(=O)NC(C)(C)C(=O)Nc1ccccc1)c1ccccc1F,4.73,4.729671001434326,4.817948717948719,1540,4,0,1.0
OADMET-0002993,Cc1cc(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)ccc1O,5.06,4.76506773630778,4.817948717948719,104,1,0,1.0
OADMET-0002992,CC1(C(=O)Nc2ccc3c(c2)NC(=O)CCC3)CCc2ccccc2C1,6.02,5.2231208483378095,5.026367187500001,1539,0,0,1.0
OADMET-0002991,CCC(NC(=O)c1ccc(CO)cc1OC)C1Cc2ccccc2C1,5.15,4.992070357004802,4.998154761904762,1538,1,0,1.0
OADMET-0002990,CC(=O)N1CS(=O)(=O)CC1C(=O)Nc1ccc(Cl)cc1C,3.35,3.4933338165283203,3.4971951219512194,1537,2,1,2.0
OADMET-0002989,O=C(CCC1CCNCC1)Nc1ccc(-n2ccnc2)cc1,3.16,1.9617428382237752,2.29,1536,3,0,1.0
OADMET-0002988,COC(=O)CC1CN(C(=O)c2cc(C(F)(F)F)ccn2)c2ccccc21,5.18,5.049635410308838,4.9999852507374625,1535,2,0,1.0
OADMET-0002987,Cc1conc1CS(=O)(=O)NC(C)c1oc2ccccc2c1C,5.61,5.183032671610515,5.026367187500001,1534,3,0,1.0
OADMET-0002986,Cn1ccnc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O,4.6,4.650545756022136,4.817948717948719,1533,4,0,1.0
OADMET-0002985,O=C(Nc1ccn(-c2ncccc2Cl)n1)c1cccc(F)c1Br,5.105,5.002617994944255,4.998154761904762,1532,2,1,2.0
OADMET-0002984,Cc1c(C(=O)NCc2coc3ccccc23)cnn1C(C)C,5.09,4.610058784484863,4.776467889908257,1531,4,1,2.0
OADMET-0002983,C[C@H]1CC[C@H](NC(=O)c2ccccc2SCc2cccnc2)CC1,4.95,4.424166202545166,4.543097826086957,1530,0,1,2.0
OADMET-0002982,Cc1c(-c2nc(-c3cccc(Cn4ccnc4)c3)no2)nnn1-c1cccc2cccnc12,5.31,4.597548802693685,4.776467889908257,1529,1,0,1.0
OADMET-0002981,CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O,5.97,5.829343477884929,5.529772727272728,1528,2,1,2.0
OADMET-0002980,Cn1cc(C(=O)NC(CO)c2ccccc2C(F)(F)F)n(C)c1=O,3.17,4.439335187276204,4.543097826086957,556,2,1,2.0
OADMET-0002979,Cc1cc(-c2cc(C(=O)NCc3ccnc(-n4cccn4)c3)c3c(C)noc3n2)c(C)s1,5.59,4.970529715220134,4.988000000000001,1527,3,0,1.0
OADMET-0002978,CCn1c(-c2cc3c(s2)CCC(C)C3)nnc1N1CCCN(C(C)=O)CC1,5.11,5.7200320561726885,5.284131355932205,1526,4,0,1.0
OADMET-0002977,CN(CC1CC1)S(=O)(=O)Nc1ccc(F)cc1OCC(F)F,5.02,5.192759831746419,5.026367187500001,1525,0,0,1.0
OADMET-0002976,COC(=O)c1cc(S(=O)(=O)N(CCC2CC2)CC2CC2)n(C)c1,4.93,4.740348180135091,4.817948717948719,1524,1,0,1.0
OADMET-0002975,O=C(NCCc1cccc(Cl)c1)N1CCCC2(CCC2)C1,5.71,5.933361848195394,5.6371875000000005,1523,2,1,2.0
OADMET-0002974,O=C(Cc1ccc(Br)cc1F)NCCCNc1ccccn1,4.755,4.255106131235759,4.355306748466257,1522,3,0,1.0
OADMET-0002973,OC[C@H]1CN(c2nsc(C3CC3)n2)C[C@@H]1c1ccccc1,5.55,4.799620946248372,4.821480836236933,1521,4,0,1.0
OADMET-0002972,CN(C)c1cc(C#N)cc(C(=O)N2CCC3C(CCCN3C3CC3)C2)c1,5.26,4.336987654368083,4.47620253164557,1520,0,0,1.0
OADMET-0002971,CC1C(=O)N(Cc2noc(C(C)(C)C)n2)C(=O)c2ccccc21,5.79,5.154682954152425,4.9999852507374625,530,1,0,1.0
OADMET-0002970,CCCOc1ccc(Cl)cc1NC(C)c1nc(C(C)C)no1,5.28,5.478955586751302,5.284131355932205,1519,1,0,1.0
OADMET-0002969,Cc1cc(C)n(CCCC(=O)N2CCCC2c2ccco2)n1,5.08,5.057347456614177,4.9999852507374625,141,2,0,1.0
OADMET-0002968,CC1(CO)CCCN1C(=O)c1cccc(COc2cccc(F)c2)c1,5.32,5.361228624979655,5.2117424242424235,1518,2,0,1.0
OADMET-0002967,O=S(=O)(Cc1ccno1)NC(c1ccc(Cl)cc1)C1CCC1,4.83,5.085234800974528,4.9999852507374625,1517,3,0,1.0
OADMET-0002966,CON(C)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1,4.96,4.7816165288289385,4.821480836236933,1516,4,0,1.0
OADMET-0002965,CC(Nc1ncnc2nc(N3CCOCC3)sc12)c1cc(F)ccc1N1CCC(O)CC1,5.01,4.2027812004089355,4.355306748466257,1515,0,0,1.0
OADMET-0002964,COc1ccc(F)cc1C(=O)NC1CCN(c2ncccc2Cl)C1,5.404999999999999,4.434457302093506,4.543097826086957,100,2,0,1.0
OADMET-0002963,C=CCC1(NC(=O)c2nn[nH]c2-c2ccccc2)CCOCC1,4.74,4.621453285217285,4.776467889908257,1514,1,0,1.0
OADMET-0002962,CCN(Cc1nnc(-c2ccccc2OC)o1)c1cccc2ccccc12,5.88,5.471914609273274,5.284131355932205,1513,2,0,1.0
OADMET-0002961,Cc1ccc(C(C)(C)CNC(=O)c2ccn(C)c2-c2ccccc2)nc1,5.71,5.061657428741455,4.9999852507374625,555,1,1,2.0
OADMET-0002960,O=C(Nc1ccc(F)cc1)C1CCc2ccccc2N1C(=O)C1CCN(c2ncccn2)CC1,5.11,4.661374092102051,4.817948717948719,1512,3,0,1.0
OADMET-0002959,CC(C)C(O)Cc1ccccc1-c1ccc2c(c1)C(=O)NCCO2,4.94,4.576178073883057,4.682475247524752,554,1,1,2.0
OADMET-0002958,CC(C)(C)c1cc2n(n1)CCN(C(=O)c1nccc3ccccc13)C2,5.35,4.951961676279704,4.988000000000001,1511,1,0,1.0
OADMET-0002957,C[C@H]1OCCO[C@H]1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1,5.12,5.046146710713704,4.9999852507374625,553,0,0,1.0
OADMET-0002955,O=C(CCc1ccccc1N1CCOCC1)N1CCCCCC1CO,5.53,5.1173624992370605,4.9999852507374625,552,4,0,1.0
OADMET-0002954,CCCN1CCCN(C(=O)c2ccccc2NC)CC1=O,5.12,4.516144752502441,4.59815,1510,0,0,1.0
OADMET-0002953,CCc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1S(N)(=O)=O,5.25,6.018011093139648,5.726304347826088,551,4,0,1.0
OADMET-0002952,Cc1c[nH]nc1C(=O)N1CCCC1(C)Cc1ccc(OC(F)(F)F)cc1,5.64,5.106623808542888,4.9999852507374625,548,1,0,1.0
OADMET-0002951,CC1CCCC(C(=O)N2CCCC(N(C)CC(=O)O)CC2)C1,3.25,4.1176674365997314,4.164821428571428,1509,0,0,1.0
OADMET-0002950,CCN(C(C)Cc1ccc(OC)cc1)S(=O)(=O)c1ccccc1-c1ccno1,5.800000000000001,5.440812746683757,5.262840909090909,1508,1,0,1.0
OADMET-0002949,CCn1nc(NC(=O)N(CC2CCCCC2)C2CC2)cc1C1CC1,4.97,6.0350235303243,5.726304347826088,1507,2,0,1.0
OADMET-0002948,O=C(COc1ccccc1)NC1CCN(c2ccccc2)C1,4.64,4.2805806795756025,4.355306748466257,25,2,1,2.0
OADMET-0002947,Cc1nnnn1-c1cccc(NC(=O)c2ccnn2C)c1,3.34,3.003797769546509,2.9914062500000007,110,4,0,1.0
OADMET-0002946,Cc1ccc2cccc(S(=O)(=O)N3CCC=C(c4cnn(C)c4)C3)c2n1,5.915,4.696855068206787,4.817948717948719,1506,3,1,2.0
OADMET-0002945,Cn1cc(N2CC(C(=O)N3CC(=O)N(C4CC4)C3)CCC2=O)cn1,2.68,2.4556096394856772,2.5691379310344833,1505,4,1,2.0
OADMET-0002944,COc1ccccc1S(=O)(=O)N(C)C(C)Cc1cccc(F)c1,6.04,5.911406517028809,5.6371875000000005,1504,0,1,2.0
OADMET-0002943,CC(c1nnnn1C1CC1)N1CCCC(Nc2ccccc2)C1,5.16,5.010775883992513,4.998154761904762,550,3,0,1.0
OADMET-0002942,O=C(NC1CCOC2(CCCCC2)C1)c1ccc2c(n1)CCCC2,5.37,5.052655220031738,4.9999852507374625,1503,1,0,1.0
OADMET-0002941,O=S(=O)(c1ccc2c(c1)OCO2)N(CC1CC1)CC1CC1,5.51,5.573790073394775,5.284131355932205,549,2,1,2.0
OADMET-0002940,CC1(C)CN(C(=O)NC2CCCC2CNS(C)(=O)=O)CCc2ccccc21,5.05,5.372756322224935,5.2117424242424235,1502,2,0,1.0
OADMET-0002939,CC1(C)CN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)[C@H]2CCC[C@H]21,5.17,5.163894176483154,4.9999852507374625,1501,3,0,1.0
OADMET-0002938,COc1cccc(-c2cc(CNC(=O)[C@H]3OC[C@H]4CCC[C@H]43)on2)c1,4.6,4.529472192128499,4.619999999999999,1500,4,1,2.0
OADMET-0002937,CSCC(C)(O)CNc1ncccc1S(=O)(=O)NCC1CC1,4.85,4.264649073282878,4.355306748466257,1499,0,0,1.0
OADMET-0002936,CN(C)c1noc(C2CCCN(c3ncnc4sccc34)C2)n1,4.64,3.458594799041748,3.4971951219512194,1498,1,0,1.0
OADMET-0002935,O=C(NCc1csc2ccccc12)c1cc(C2CC2)[nH]n1,5.28,5.085841178894043,4.9999852507374625,1497,2,0,1.0
OADMET-0002934,CN(C1CCN(c2ccccc2Cl)C1=O)S(=O)(=O)c1cccs1,4.9,5.424069245656331,5.262777777777777,1496,3,1,2.0
OADMET-0002933,CC1CCOCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1,5.26,4.8141194979349775,4.821480836236933,40,1,0,1.0
OADMET-0002932,N#Cc1ccc2c(c1)N(C(=O)C(C1CCC1)C1CCC1)CC(=O)N2,5.17,4.988742351531982,4.998154761904762,1495,4,0,1.0
OADMET-0002930,CC1(Cc2ccc(F)cc2)CCCN1C(=O)COc1cccnc1,5.53,5.222589492797852,5.026367187500001,548,1,0,1.0
OADMET-0002929,O=C(Nc1cc2n(n1)CCCC2)N1CCN(c2ncnc3sccc23)CC1,3.1,3.5408899784088135,3.5503846153846155,547,0,0,1.0
OADMET-0002928,CNc1ccccc1C(=O)NCc1ccn(C2CCCC2)n1,5.54,4.653951803843181,4.817948717948719,271,4,0,1.0
OADMET-0002927,COc1cccc(C(NC(=O)CC2(CSC)CC2)c2nccn2C)c1,5.1,5.408664544423421,5.2508333333333335,179,2,0,1.0
OADMET-0002926,CCc1ccc(C2CCCCN2C(=O)c2cc(C(F)F)ncn2)o1,4.87,4.7201493581136065,4.817948717948719,1494,0,0,1.0
OADMET-0002925,Cn1c(=O)c2cc(C(=O)N3CCCC(n4ccnn4)C3)cnc2n(C)c1=O,3.58,3.114250342051188,2.9914062500000007,39,2,1,2.0
OADMET-0002924,CCc1nn(C)cc1C(=O)NCc1csc(-c2ccco2)n1,3.78,3.6497331460316977,3.575,1493,1,0,1.0
OADMET-0002923,CN(C)c1ncccc1CNC(=O)NC1(c2ccccc2)CC1(C)C,5.27,5.613211472829183,5.284131355932205,1492,2,0,1.0
OADMET-0002922,Cc1noc(C)c1C(=O)NC1CCN(c2ccccc2C(F)(F)F)C1,5.42,4.543137709299724,4.682475247524752,65,4,0,1.0
OADMET-0002921,CC(NCc1nc2ccccc2n1C(F)F)c1nc2ccccc2n1C(F)F,5.79,5.652157624562581,5.284131355932205,546,0,0,1.0
OADMET-0002920,CC1(C)COc2c(C(=O)N3CCCC(n4ccnn4)C3)cccc21,5.2,5.522146383921306,5.284131355932205,39,2,1,2.0
OADMET-0002919,Cc1ccccc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1,4.85,4.872870922088623,4.821480836236933,9,2,1,2.0
OADMET-0002918,Cc1ccc(C)c(NC(=O)N2CCCC3(CCOC3)C2)c1,4.8,5.202334403991699,5.026367187500001,140,0,0,1.0
OADMET-0002917,Cn1cc(-c2ccc(F)c(C(=O)NCC[C@H]3CCCC[C@H]3O)c2)cn1,3.95,4.047943909962972,4.092280701754386,270,2,0,1.0
OADMET-0002916,Cc1cc(C)n(CCCC(=O)N2CCO[C@H]3COCC[C@H]32)n1,5.22,3.71685791015625,3.8408219178082192,141,2,0,1.0
OADMET-0002915,N#CCCCn1cc(C(=O)N2CCN(Cc3cccs3)CC2)c2ccccc21,4.97,4.018691619237264,4.043714285714285,1491,3,0,1.0
OADMET-0002914,COC(=O)CN(C(=O)c1cn(Cc2ccccc2)c2ccccc12)C1CC1,5.46,5.5162278811136884,5.284131355932205,1490,4,0,1.0
OADMET-0002913,O=C1CCC2(C(=O)N3CCOc4cc(O)ccc4C3)Sc3ccccc3N12,5.22,5.184674580891927,5.026367187500001,1489,3,0,1.0
OADMET-0002912,CC(C)c1ocnc1C(=O)NC[C@H]1[C@H](c2ccccc2)C1(F)F,6.13,4.855648994445801,4.821480836236933,1488,3,0,1.0
OADMET-0002911,CCOc1cccc(CC(=O)NC2CCCOc3ccccc32)n1,5.06,5.340523560841878,5.2117424242424235,269,4,0,1.0
OADMET-0002910,CCOc1cccc(CCC(=O)N2CCCNC(=O)[C@@H]2CC)c1,5.035,5.005054632822673,4.998154761904762,101,1,0,1.0
OADMET-0002909,CC(C)N(C(=O)c1n[nH]c2ccccc2c1=O)c1ccc(Cl)cc1,4.78,5.357554117838542,5.2117424242424235,1487,0,0,1.0
OADMET-0002908,Cn1nc(C(=O)N2CCOc3ccccc3C2CO)c2ccccc21,5.19,5.238041718800862,5.026367187500001,545,4,0,1.0
OADMET-0002907,CSCc1cccnc1C(=O)N(Cc1ccccc1)C1COC(C)(C)C1,5.51,5.031309445699056,4.9999852507374625,1486,4,0,1.0
OADMET-0002906,COCC(Cc1ccccc1)N(C)C(=O)c1cc(-c2cccs2)n[nH]1,5.54,5.125201225280762,4.9999852507374625,1485,2,1,2.0
OADMET-0002905,CO[C@H]1COC[C@H]1NC(=O)c1c(Cl)cccc1OCC1CC1,4.72,4.808660825093587,4.821480836236933,177,4,0,1.0
OADMET-0002904,CCn1ccc(C(=O)Nc2cccc3c2OC(C)(C)CC3O)c1C,5.44,4.7684868176778155,4.821480836236933,1484,3,0,1.0
OADMET-0002903,COc1cc(C(=O)N2CCCCC2c2ncccn2)cc(OC)c1C,5.4,4.9729282061258955,4.988000000000001,32,4,0,1.0
OADMET-0002902,CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCC(C)(O)CC2)c1,5.74,5.583784262339274,5.284131355932205,544,4,1,2.0
OADMET-0002901,O=C(NCC(=O)N1CCCC1C=Cc1ccccc1)NC1CCCCC1,5.14,5.176488399505615,4.9999852507374625,529,2,0,1.0
OADMET-0002900,CC(C)C1c2ccccc2CCN1c1cncc(C#N)n1,5.95,5.5110189119974775,5.284131355932205,543,3,0,1.0
OADMET-0002899,Cc1ccc2snc(C(=O)NC(c3cnn(C)c3)C(C)C)c2c1,5.78,5.118433952331543,4.9999852507374625,1483,2,0,1.0
OADMET-0002898,O=C(O)C1(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CCC1,2.54,3.7932745615641275,3.8408219178082192,1482,4,0,1.0
OADMET-0002897,CC1CCN(S(=O)(=O)c2ccc(C#N)cc2NCCCO)CC1,4.89,5.157228151957194,4.9999852507374625,1481,3,0,1.0
OADMET-0002896,COc1ccccc1-c1n[nH]c(NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1C,5.42,3.877197027206421,3.916360294117648,270,2,0,1.0
OADMET-0002895,Cc1ccn2ncc(C(=O)NCC(F)(F)c3ccc(F)cc3F)c2c1,5.43,4.645228862762451,4.817948717948719,542,2,0,1.0
OADMET-0002894,O=C1NC(=O)C2(CCCN(C(=O)Cn3c(-c4ccccc4)cc4ccccc43)C2)N1,5.1,4.759570916493733,4.817948717948719,1480,3,0,1.0
OADMET-0002893,O=C(NCCc1cnn(-c2ccccc2)n1)C1(c2ccc(Cl)cc2)CC1,5.09,5.3960849444071455,5.234230769230769,316,3,0,1.0
OADMET-0002892,Cc1onc(OC(F)F)c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C,5.42,5.204195976257324,5.026367187500001,61,0,0,1.0
OADMET-0002889,Cc1cc(CNC(=O)N2CCCC3(C=Cc4ccccc4O3)C2)no1,4.79,5.096034049987793,4.9999852507374625,1479,4,0,1.0
OADMET-0002888,O[C@@H]1C[C@H]2CN(c3cccc(-n4cnc5ccccc54)n3)CCN2C1,2.67,3.1678248246510825,3.0979268292682924,499,4,0,1.0
OADMET-0002887,O=C(Nc1ccn(Cc2ccncc2)n1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12,4.96,4.268636067708333,4.355306748466257,541,1,0,1.0
OADMET-0002886,Cc1ncccc1Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)no1,1.77,3.9208806355794272,3.916360294117648,1478,0,1,2.0
OADMET-0002885,NS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc1,1.78,2.113720099131266,2.31875,1477,1,1,2.0
OADMET-0002884,COc1ccc(Cl)cc1C(=O)N1CCCN(C(=O)c2cc(Cl)ccc2OC)CC1,5.21,5.127422491709392,4.9999852507374625,1,2,1,2.0
OADMET-0002883,CSCCc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)n(CC2CC(C)C2)n1,5.48,5.381725311279297,5.234230769230769,1476,2,0,1.0
OADMET-0002882,O=C(Nc1cc(Br)ccn1)N[C@@H]1CCCc2cccnc21,5.25,4.985072612762451,4.998154761904762,268,1,0,1.0
OADMET-0002881,CCOC(=O)C1(F)CN(c2ncnc3[nH]cc(CC)c23)CC12COC2,1.76,2.3905736605326333,2.4937500000000004,89,2,0,1.0
OADMET-0002880,CC[C@H]1C(=O)NCCCN1Cc1oc(-c2ccccc2)nc1C,5.06,4.823990662892659,4.821480836236933,139,3,0,1.0
OADMET-0002879,CNS(=O)(=O)c1cccc(C(C)NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)c1,5.42,4.852897485097249,4.821480836236933,1475,3,0,1.0
OADMET-0002878,Cc1ccc(F)c2[nH]c(C(=O)Nc3cccc(C4(C)NC(=O)NC4=O)c3)cc12,5.0,5.003476778666179,4.998154761904762,315,1,0,1.0
OADMET-0002877,Cn1cc(NC(=O)Cc2cccc(Cl)c2)c2ccccc2c1=O,3.08,5.068152904510498,4.9999852507374625,1474,2,1,2.0
OADMET-0002876,O=C(NC1CCCN(C(=O)C2Cc3ccc(F)cc32)C1)c1ccc2ccccc2c1,5.34,5.12117067972819,4.9999852507374625,1473,0,0,1.0
OADMET-0002875,CCc1n[nH]c2ncnc(N3CC4(C3)SCCC4C(=O)OC)c12,1.99,2.372127135594686,2.4937500000000004,1472,1,0,1.0
OADMET-0002874,Cn1ccnc1C(Nc1nccn2ncc(Br)c12)c1ccccc1,5.33,5.000199476877849,4.998154761904762,1471,0,0,1.0
OADMET-0002873,Cc1nccnc1C(C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1,5.22,4.181794802347819,4.355306748466257,540,0,0,1.0
OADMET-0002872,CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C,4.74,5.048949400583903,4.9999852507374625,218,4,1,2.0
OADMET-0002871,CCCc1cc(C(=O)Nc2ccc3oc(=O)n(CC(=O)N4CCCCC4)c3c2)[nH]n1,5.16,4.141915957132976,4.311111111111112,539,4,0,1.0
OADMET-0002870,CN(C)c1cccnc1CNC(=O)Nc1cccc(-c2ncco2)c1,5.07,4.843311150868733,4.821480836236933,1470,2,0,1.0
OADMET-0002869,O=C(CSc1ncccn1)N1c2ccccc2CCc2ccccc21,5.51,5.016732692718506,4.998154761904762,267,2,0,1.0
OADMET-0002868,CC1OC(=O)NC1C(=O)N(C)CCc1cccc2ccccc12,5.44,5.116111437479655,4.9999852507374625,1469,3,0,1.0
OADMET-0002867,O=C1OC(c2ccccc2)CC1C(=O)N1Cc2ccccc2C(c2ccccc2)C1,5.12,4.488381226857503,4.59815,538,3,0,1.0
OADMET-0002866,O=C(Nc1c[nH]nc1-c1ccccn1)c1n[nH]c2ccccc12,3.47,4.517889181772868,4.59815,1468,4,1,2.0
OADMET-0002865,Cc1cccc(C(C)(C)C(=O)NCc2nnnn2-c2ccc(F)cc2)c1,5.44,5.117310682932536,4.9999852507374625,266,1,0,1.0
OADMET-0002864,O[C@@H](CNc1nc(C(F)(F)F)nc2[nH]cnc12)c1ccc(Cl)cc1,4.94,4.400943279266357,4.543097826086957,1467,1,0,1.0
OADMET-0002863,Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccn1,1.79,3.0983777046203613,2.9914062500000007,95,1,1,2.0
OADMET-0002862,COCCN1C(=O)N[C@H]2CN(C(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)CC[C@H]21,2.57,3.6324962774912515,3.571791044776119,1466,2,0,1.0
OADMET-0002861,O=S(=O)(Nc1ccc2occc2c1)c1cccc2cccnc12,5.83,5.4602945645650225,5.269615384615386,1465,3,1,2.0
OADMET-0002860,CCCS(=O)(=O)Nc1ccccc1C(=O)NCc1cccc2c1OCC2,5.3,5.548149426778157,5.284131355932205,158,4,0,1.0
OADMET-0002859,COc1cc(NCC2(C3CCCCO3)CC2)ccc1OC(F)F,5.83,5.418754577636719,5.262777777777777,1464,1,0,1.0
OADMET-0002858,CCS(=O)(=O)c1ccc(N2CCC(Nc3ncnc4[nH]ccc34)CC2)cc1,2.82,2.0991254647572837,2.31875,1463,1,0,1.0
OADMET-0002857,N#Cc1ccncc1NCc1nc2c(s1)CC(c1ccccc1)CC2,5.86,5.025158723195394,4.9999852507374625,1462,0,0,1.0
OADMET-0002856,CCn1cc(-c2cn([C@@H](C)c3ccccc3Cl)nn2)cn1,5.545,4.501556555430095,4.59815,537,2,1,2.0
OADMET-0002855,CC(C)c1nc(CN(CC2(F)CCOCC2)c2nc(C3CC3)ns2)cs1,5.33,5.665447394053142,5.284131355932205,1461,3,0,1.0
OADMET-0002854,CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C,5.59,5.826681931813558,5.529772727272728,536,2,0,1.0
OADMET-0002853,Cn1ccnc1Cn1cc(-c2ccc3cnccc3c2)nn1,1.76,3.6622841358184814,3.575,1460,4,0,1.0
OADMET-0002852,CC1(CN(Cc2cnn(C(C)(C)C)c2)c2ncccn2)CCC2(CC1)OCCO2,4.86,5.346599260965983,5.2117424242424235,1459,1,0,1.0
OADMET-0002851,CCn1ccc(CN(CC2(c3ccccc3)CCOCC2)c2nc(C)ns2)n1,4.97,5.175360679626465,4.9999852507374625,1458,0,0,1.0
OADMET-0002850,CCc1cnc(N(Cc2ccn(C)n2)CC2CCCC(C)(C)O2)nc1,5.35,5.008986473083496,4.998154761904762,1457,4,0,1.0
OADMET-0002849,COc1ccccc1C(C)(C)n1cc(COC2CCCCO2)nn1,5.44,5.15598726272583,4.9999852507374625,138,3,0,1.0
OADMET-0002848,Cc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)CCOC(C)C)c2)c(C)c1,5.69,5.646355787913005,5.284131355932205,1456,0,0,1.0
OADMET-0002847,COc1ccccc1C(C)(C)n1cc(C2CCCS(=O)(=O)C2)nn1,5.27,4.968296527862549,4.988000000000001,138,3,0,1.0
OADMET-0002846,Cn1nc(-c2cccnc2)cc1C(=O)N1c2ccccc2CC1(C)C,5.4,5.260459582010905,5.067031249999999,495,0,0,1.0
OADMET-0002845,O=C(Nc1ncc(C2CC2)s1)c1cccn1C1CCCC1,5.71,5.159262021382649,4.9999852507374625,1455,1,0,1.0
OADMET-0002844,COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C,5.88,4.957627455393474,4.988000000000001,61,0,1,2.0
OADMET-0002843,Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3cccc(-n4cnnn4)c3)cs2)cc1,3.84,3.8197930653889975,3.916360294117648,1454,2,1,2.0
OADMET-0002842,CC(NS(=O)(=O)C1CC12CCC2)c1nc(C2CCCCC2)no1,5.04,4.928996245066325,4.888,1453,3,0,1.0
OADMET-0002841,CCN1CCc2cc(-c3nc4nccc(C#N)c4[nH]3)ccc21,5.45,4.787056128184001,4.821480836236933,1452,4,0,1.0
OADMET-0002840,Cn1c(Cc2ccsc2)nnc1N1CCCc2ccccc2CC1,5.14,5.26882266998291,5.067031249999999,1451,2,0,1.0
OADMET-0002839,CCc1c[nH]c2ncnc(N3CC4(CCOCC(=O)N4)C3)c12,1.74,2.030308564503988,2.29,89,2,1,2.0
OADMET-0002838,O=C(Cn1nnn(C2CC2)c1=O)N1c2ccccc2CCc2ccccc21,5.14,5.036856969197591,4.9999852507374625,260,4,0,1.0
OADMET-0002837,O=C(c1ccnc(CO)c1)N1CCN(c2cncc3ccccc23)CC1,1.73,2.8503833611806235,2.795725806451613,1450,3,0,1.0
OADMET-0002836,Cc1nccc(N(CCC2CCCC2(F)F)Cc2c(C)cnn2C)n1,2.91,4.352259000142415,4.47620253164557,1449,2,0,1.0
OADMET-0002835,C/C=C/CCCN(Cc1cn[nH]c1)c1cc(C(N)=O)nc(C2CC2)n1,5.01,4.200984477996826,4.355306748466257,1448,4,0,1.0
OADMET-0002834,COC(=O)CCc1ccccc1C(=O)N(C)CC(C)C1CCCCC1,5.64,5.991183280944824,5.6915,1447,3,1,2.0
OADMET-0002833,COc1ccc(CC(C)(CO)NC(=O)c2cc3c(C)cc(C)nc3s2)cc1OC,4.885,4.981794675191243,4.988000000000001,1446,2,0,1.0
OADMET-0002832,N#CC1CC2(C1)CC(C(=O)N1CCc3sccc3C1c1ccccc1)C2,5.38,5.181712468465169,5.026367187500001,1445,4,0,1.0
OADMET-0002831,Cc1ccc(-n2ccc(Cn3cc(C4CC4)nn3)n2)cc1,4.04,4.728036403656006,4.817948717948719,1444,0,0,1.0
OADMET-0002830,O=S(=O)(Nc1cccc2c1CN(C1CC1)C2)c1sccc1C1CC1,5.4,5.704766909281413,5.284131355932205,491,3,0,1.0
OADMET-0002829,O=S(=O)(c1ccccc1-c1ccccc1)N1CCC2CC21,5.64,6.13625971476237,5.726304347826088,1443,1,0,1.0
OADMET-0002828,COc1cc2c(N3CCC(CS(C)(=O)=O)CC3)ccnc2cc1F,3.73,3.1332050959269204,3.0979268292682924,1442,2,1,2.0
OADMET-0002827,CCOC(=O)c1csc(C2CCCN2C(=O)Nc2ccc(C(C)(C)C)cc2)n1,5.91,5.249678134918213,5.026367187500001,1441,0,0,1.0
OADMET-0002825,O=S(=O)(Nc1n[nH]cc1Cl)c1c[nH]c2cc(C(F)(F)F)ccc12,6.225,4.614274501800537,4.776467889908257,535,3,1,2.0
OADMET-0002824,CC1(C)Cc2cccc(C(=O)Nc3nnc(C(C)(C)C)s3)c2O1,6.52,6.033579508463542,5.726304347826088,1440,2,1,2.0
OADMET-0002823,C#CCN(Cc1ccccc1)C(=O)C(C)NC(=O)c1cccc(Cl)c1Cl,5.39,4.98928435643514,4.998154761904762,1439,3,0,1.0
OADMET-0002822,CN1CCCc2cc(CC(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)ccc21,5.47,5.830107688903809,5.529772727272728,1438,4,0,1.0
OADMET-0002821,CCN1C(=O)c2ccc(C(=O)N3CC(C(C)C)Cc4cc(OC)ccc43)cc2S1(=O)=O,5.52,5.388680934906006,5.234230769230769,1437,0,0,1.0
OADMET-0002820,COc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)CCC2,5.73,5.882046063741048,5.6371875000000005,166,3,0,1.0
OADMET-0002819,N#Cc1cc(S(=O)(=O)NCC(F)(F)F)ccc1N1CCC2(CCC2)C1,6.345000000000001,6.982575416564941,6.345000000000001,1436,1,0,1.0
OADMET-0002818,CCOc1cccnc1S(=O)(=O)N1CCc2ccc(F)cc2C(C)C1,5.74,5.849991957346599,5.529772727272728,534,4,0,1.0
OADMET-0002817,CCOc1cccnc1S(=O)(=O)NCc1ccc(F)cc1C(F)(F)F,5.3,5.311440467834473,5.067031249999999,534,4,0,1.0
OADMET-0002816,Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(-c2nc(C3CC3)n[nH]2)c1,5.51,5.118470668792725,4.9999852507374625,1435,0,0,1.0
OADMET-0002815,Cn1cc(CCC(=O)N2CC(O)(c3ccc(F)cc3)C2)c2ccccc21,5.72,5.102520147959392,4.9999852507374625,1434,1,0,1.0
OADMET-0002814,Cc1cnn(C2CCCN(C(=O)CCc3c(-c4ccccc4)[nH]c4ccc(F)cc34)C2)c1,5.28,5.286793073018392,5.067031249999999,174,2,0,1.0
OADMET-0002813,COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(OC)c1C,5.02,5.71678892771403,5.284131355932205,265,0,1,2.0
OADMET-0002812,CCN(CC)C(=O)COc1cccc(NC(=O)c2cc(OC)c(C)c(OC)c2)c1,5.0,5.228224118550618,5.026367187500001,1433,2,1,2.0
OADMET-0002811,O=C(Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)cc1)c1ccc(F)cc1,5.03,4.681989828745524,4.817948717948719,265,0,0,1.0
OADMET-0002810,CC(C)(C)NS(=O)(=O)C1(CNc2cc(Br)ccc2C#N)CCC1,5.949999999999999,6.004960378011067,5.6915,1432,0,0,1.0
OADMET-0002809,Cc1cc(C(=O)Nc2ccccc2NCC(F)(F)F)c2c(c1)C(C)CCN2,5.74,6.029705842336019,5.726304347826088,1431,2,0,1.0
OADMET-0002808,CC(C)Cn1c(CC(C)(O)c2ccccc2)nnc1N1CCSCC1,5.19,5.637248675028483,5.284131355932205,1430,3,0,1.0
OADMET-0002807,COc1ccc(N(C)S(=O)(=O)c2cccc3c(Cl)cc(C)nc23)cn1,5.775,5.549790064493815,5.284131355932205,1429,1,0,1.0
OADMET-0002806,Cc1n[nH]c2ccc(C(=O)NCCn3c(=O)[nH]c4ccccc43)cc12,3.26,3.516303300857544,3.4971951219512194,533,3,0,1.0
OADMET-0002805,O=C(Nc1ccc(F)nn1)c1cc(-c2ccccc2Cl)nc2ccccc12,4.91,5.301692008972168,5.067031249999999,1428,3,0,1.0
OADMET-0002804,Cc1ccccc1C(OCC(O)CNC1CCC(=O)NC12CCC2)c1ccccc1,4.95,4.382676124572754,4.477399999999999,1427,0,0,1.0
OADMET-0002803,CC1(NC(=O)Cc2c[nH]c3ncccc23)CCCc2ccccc21,5.22,4.245758851369222,4.355306748466257,1426,1,0,1.0
OADMET-0002802,Cc1cc2c(cc(C(=O)N[C@H]3COC[C@H]3n3cccn3)n2CC(F)(F)F)s1,5.55,5.079239368438721,4.9999852507374625,1425,1,0,1.0
OADMET-0002801,Cc1cc(S(=O)(=O)NCCc2cc(C(C)(C)C)on2)ccc1C#N,5.84,5.753360430399577,5.284131355932205,1424,3,0,1.0
OADMET-0002800,CCc1nc(NC(=O)NC(CO)CC(O)c2ccccc2)sc1C(C)(C)C,5.09,5.663500626881917,5.284131355932205,1423,0,0,1.0
OADMET-0002799,Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc2[nH]c(=O)oc2c1,3.4,3.543713172276815,3.5503846153846155,493,2,0,1.0
OADMET-0002798,CS(=O)(=O)Nc1ccc(CNc2nc(-c3ccccn3)nc3ccccc23)cc1,5.21,4.201797326405843,4.355306748466257,532,4,1,2.0
OADMET-0002797,CC(C)(C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc12,5.84,5.262397925059001,5.067031249999999,531,3,0,1.0
OADMET-0002796,COC(=O)c1c(CNC(=O)c2cnnn2-c2ccccc2)nn2c1CCCC2,5.0,4.717624028523763,4.817948717948719,90,1,0,1.0
OADMET-0002795,COC(=O)c1cc(-c2csc(NC(=O)c3ccc(OC)cc3)n2)c[nH]1,5.029999999999999,4.014129479726155,4.043714285714285,264,1,0,1.0
OADMET-0002794,CC(C)(C)C(NC(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2nnc[nH]2)no1,5.64,4.655646006266276,4.817948717948719,1422,1,0,1.0
OADMET-0002793,Cc1ccc2oc(CN(Cc3ccco3)C(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)cc2c1,4.96,5.227302074432373,5.026367187500001,263,4,0,1.0
OADMET-0002792,O=C(c1cccnc1N1CCC(c2nc3ccccc3[nH]2)CC1)N1CCc2ccccc21,5.39,4.972037315368652,4.988000000000001,1421,3,0,1.0
OADMET-0002791,CC1(Cc2cccc(Br)c2)CCCN1c1ccnc(C#N)n1,6.125,5.982738653818767,5.6915,1420,4,0,1.0
OADMET-0002790,O=S(=O)(c1cccc(Cl)c1O)N1CC(CO)(c2ccccc2)C1,4.93,4.636999289194743,4.776467889908257,1419,1,0,1.0
OADMET-0002789,COc1ccccc1CC1CCCN1C(=O)CCn1nnc2ccccc2c1=O,5.46,5.658054192860921,5.284131355932205,147,1,0,1.0
OADMET-0002788,O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccc(O)cc1,5.3,4.467197259267171,4.5774358974358975,1418,3,0,1.0
OADMET-0002787,O=C(NCc1cc2c(cc1OC(F)F)OCO2)NCC1CCCCC(F)(F)C1,5.7,5.013739585876465,4.998154761904762,1417,4,0,1.0
OADMET-0002786,CCc1noc(C)c1CN1C(=O)c2ccccc2C(C)C1=O,6.14,4.832272211710612,4.821480836236933,530,1,1,2.0
OADMET-0002785,FC(F)(F)c1ccc(N2CCC[C@H]2COc2ccccc2)nn1,5.41,4.725459257761638,4.817948717948719,262,1,0,1.0
OADMET-0002784,CCC(COC)n1cc(-c2ccc(C(F)(F)F)cc2)nn1,5.35,4.5268754959106445,4.619999999999999,1416,0,0,1.0
OADMET-0002783,Cc1ccn2ncc(C(=O)N3CCCCCC3C=Cc3ccccc3)c2n1,5.69,5.582329432169597,5.284131355932205,529,2,0,1.0
OADMET-0002782,COCn1nc(C)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1C,5.41,4.87676477432251,4.821480836236933,351,3,0,1.0
OADMET-0002781,CC(NC(=O)NCc1cn(-c2ccccc2)nn1)c1ccc(C#N)cc1,5.5,5.046569188435872,4.9999852507374625,1415,2,0,1.0
OADMET-0002780,Cc1nc2c3ccccc3nc(SC(C)C(=O)N(C)C(C)C)n2n1,5.925000000000001,5.568776448567708,5.284131355932205,1414,1,0,1.0
OADMET-0002779,CC(C)(CC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1)Cc1ccc(Cl)cc1,5.3,4.918568770090739,4.888,1413,3,0,1.0
OADMET-0002778,CCN(C)c1ccccc1Cn1c(=O)[nH]c2ccccc2c1=O,5.04,5.193744977315267,5.026367187500001,1412,3,0,1.0
OADMET-0002777,COc1cccc2oc(C(=O)N3CCCC(c4ccc(F)c(O)c4)C3)cc(=O)c12,5.03,5.4777523676554365,5.284131355932205,1411,4,0,1.0
OADMET-0002776,O=C(Cc1nc(Cc2ccccc2)no1)N1CCCC1c1ccccc1,5.22,5.070630232493083,4.9999852507374625,103,3,0,1.0
OADMET-0002775,CC(C)(C(=O)NCCc1nccc(C(F)(F)F)n1)c1ccccc1,5.23,4.787571748097737,4.821480836236933,528,1,0,1.0
OADMET-0002774,CCn1ccc(NC(C)C(=O)Nc2ccccc2Cc2ccccc2)n1,5.07,5.435718854268392,5.262840909090909,1410,0,0,1.0
OADMET-0002773,CC1N(C(=O)Cc2n[nH]c3c2CCCC3)c2ccccc2C1(C)C,5.91,6.008474349975586,5.726304347826088,1409,1,0,1.0
OADMET-0002772,CC(NC(=O)NCC1CCCC12CC2)c1nccn1-c1ccccc1,5.215,5.168315887451172,4.9999852507374625,1408,3,0,1.0
OADMET-0002771,CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ncnc4[nH]ncc34)CC2)O1,1.8,2.3512911001841226,2.4937500000000004,261,0,0,1.0
OADMET-0002769,CC(NC(=O)CNc1ccn(-c2ccccc2C(F)(F)F)n1)C1CC1,5.22,5.604290008544922,5.284131355932205,1407,4,0,1.0
OADMET-0002768,O=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)C1OCCO1,5.25,5.27895450592041,5.067031249999999,1406,0,0,1.0
OADMET-0002767,CC1(C)CC2CC(C)(CN2C(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)C1,6.27,5.7262857755025225,5.284131355932205,1405,2,0,1.0
OADMET-0002766,Cc1cccc(S(=O)(=O)NCC(O)c2cccc3ccccc23)c1,5.904999999999999,5.407368183135986,5.2508333333333335,1404,1,1,2.0
OADMET-0002765,Cc1cc(-c2noc(-c3cnc4snc(C)c4c3)n2)ccc1-n1cncn1,3.1,3.643991231918335,3.571791044776119,1403,0,0,1.0
OADMET-0002764,CC(C)c1ccc(-c2noc(CNC(=O)NCc3ccco3)n2)cc1,4.79,4.626726309458415,4.776467889908257,361,0,1,2.0
OADMET-0002763,COc1ncccc1NC(=O)NC(CC1CCOC1)c1ccccc1,5.31,5.007063229878743,4.998154761904762,1402,4,0,1.0
OADMET-0002762,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4cccc(F)c43)c12,5.6,6.002533594767253,5.6915,1401,2,0,1.0
OADMET-0002761,COC(=O)C(C)(C)Cc1cn(-c2ccc(C(C)C)cc2)nn1,5.41,4.764702320098877,4.817948717948719,1400,2,0,1.0
OADMET-0002760,C=CCC1(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2CO)CCCCC1,6.32,5.381730397542317,5.234230769230769,1399,0,0,1.0
OADMET-0002759,COC(=O)c1cc(-c2ccc(C)cc2)n(-c2nccnc2C)n1,4.74,4.48995844523112,4.59815,1398,4,0,1.0
OADMET-0002758,CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(-c2cc[nH]n2)s1,5.795,5.0594096183776855,4.9999852507374625,1397,3,0,1.0
OADMET-0002757,O=S(=O)(Nc1ccnn1C1CCC1)c1ccc2c(c1)CCCC2,4.77,5.599334875742595,5.284131355932205,257,2,0,1.0
OADMET-0002756,Cc1cccn2cc(-c3cccc(NC(=O)Nc4ccn(CCCC(=O)N(C)C)n4)c3)nc12,4.87,4.736586570739746,4.817948717948719,1396,2,0,1.0
OADMET-0002755,CN(C(=O)N1CCCNC(=O)C1Cc1ccccc1)c1ccc(F)cc1,5.38,4.7224076588948565,4.817948717948719,101,1,1,2.0
OADMET-0002754,O=C1NC(CC2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12,5.6,5.678426583607991,5.284131355932205,1395,0,0,1.0
OADMET-0002753,CCc1cc(N2CCC(Nc3ncnc4c(C)cccc34)CC2)ncn1,6.15,3.870507558186849,3.916360294117648,527,0,0,1.0
OADMET-0002752,CC(C)C(CNC(=O)Cn1nnn(C2CCC2)c1=O)c1ccccc1,4.95,4.862009366353353,4.821480836236933,260,4,0,1.0
OADMET-0002751,CNC(=O)C1Cc2ccccc2N1C(=O)Cc1c[nH]c2cccc(C)c12,5.13,4.741148312886556,4.817948717948719,259,3,0,1.0
OADMET-0002750,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)C2)c1,3.43,4.34675931930542,4.47620253164557,258,3,1,2.0
OADMET-0002749,Cc1nccc(N2CCN(C(=O)c3cnn(-c4ccccc4F)c3C)CC2)n1,1.9,3.591682513554891,3.571791044776119,24,3,1,2.0
OADMET-0002748,O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cn2ccccc2n1,1.79,2.9859636624654136,2.811071428571428,1394,4,0,1.0
OADMET-0002747,Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1,5.87,4.488006591796875,4.59815,526,4,1,2.0
OADMET-0002746,COc1ccc2ncc(C(=O)NCc3ccnc(OCC(F)(F)F)c3)n2n1,4.78,4.1220269203186035,4.164821428571428,1393,3,0,1.0
OADMET-0002745,c1csc(CN2CCN(c3ncnc4[nH]ccc34)CC2)c1,1.76,1.8325266043345134,2.1492857142857145,1392,1,0,1.0
OADMET-0002744,Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C2CCCCC2)n1,5.34,5.519139766693115,5.284131355932205,257,2,0,1.0
OADMET-0002743,Cc1ccc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c2c1,1.83,3.3081888357798257,3.101637931034483,513,4,1,2.0
OADMET-0002742,COC1CC(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C12CCC2,1.82,3.949976921081543,3.916360294117648,145,3,1,2.0
OADMET-0002740,Cc1ccc(C(=O)NCc2nn(C)c3ccccc23)c(Cl)c1,5.67,4.832737763722737,4.821480836236933,525,2,1,2.0
OADMET-0002739,COCC1(C2CCC2)CN(C(=O)NCCc2cc(C)c(O)c(C)c2)C1,5.33,4.632000764211019,4.776467889908257,524,0,0,1.0
OADMET-0002738,CCc1cccc(S(=O)(=O)NCCc2nc(C)cc(C)n2)c1,5.34,4.988807201385498,4.998154761904762,1391,4,0,1.0
OADMET-0002736,O=C(NC1CCOc2ccc(F)cc21)c1ccc(N2CCCC2)nn1,4.91,5.0758687655131025,4.9999852507374625,98,1,0,1.0
OADMET-0002735,Cc1ccccc1C1CCCN1CC(=O)Nc1ccccc1C(N)=O,5.455,5.3015421231587725,5.067031249999999,523,1,1,2.0
OADMET-0002734,CCn1c(NC(=O)c2cc(C)nn2C2CCOCC2)nc2cc(C#N)ccc21,1.81,4.023341576258342,4.043714285714285,1390,4,0,1.0
OADMET-0002733,COc1ccc(C(=O)N(C)C(C)Cc2ccccc2C)cc1S(=O)(=O)N1CCOCC1,5.76,5.434603691101074,5.262840909090909,131,2,1,2.0
OADMET-0002732,CCn1cc(S(=O)(=O)N2CCc3c(Cl)cc(F)cc3C2)nc1C,5.66,5.090563456217448,4.9999852507374625,1389,0,0,1.0
OADMET-0002731,O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCCCC1c1ncon1,5.61,5.399186611175537,5.234230769230769,522,0,0,1.0
OADMET-0002730,COC1(C)CCCN(C(=O)NCc2cc(Cl)cc3c2OCC3)CC1,5.58,5.609719753265381,5.284131355932205,1388,4,0,1.0
OADMET-0002729,Cc1ccc2[nH]c(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cc2c1C,5.175,4.913754145304362,4.860652173913044,196,3,0,1.0
OADMET-0002728,CC1CCc2ccccc2N1C(=O)COc1ccc2c(c1)NC(=O)CC2,5.65,5.471510569254558,5.284131355932205,137,4,0,1.0
OADMET-0002727,CC(C)CCn1ccc(NC(=O)NCC2CCC3(CCCC3)O2)n1,5.71,5.424644311269124,5.262840909090909,521,4,0,1.0
OADMET-0002726,Cc1nsc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c1C#N,5.01,5.20531686147054,5.026367187500001,520,3,0,1.0
OADMET-0002725,Cn1cccc1C1CCCCN1C(=O)CNC(=O)c1cc2ccccc2[nH]1,5.35,5.036872227986653,4.9999852507374625,40,1,0,1.0
OADMET-0002724,N#CC1(CCCN2CCN(c3ccnc4ccccc34)CC2)CCOCC1,2.6,3.0022892157236734,2.9914062500000007,1387,3,0,1.0
OADMET-0002723,Cc1nnnn1-c1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)c1,2.89,3.502362012863159,3.4971951219512194,110,4,0,1.0
OADMET-0002722,COc1ccccc1NCC(=O)N1CCN(C)c2ccccc2C1,5.47,4.886486689249675,4.821480836236933,256,0,1,2.0
OADMET-0002721,Cc1nc(CNC(=O)NC2CCCCc3cc(Br)ccc32)no1,4.97,5.020540237426758,4.998154761904762,319,4,0,1.0
OADMET-0002720,O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)N1CCc2ccc(F)cc2C1,5.46,5.187916437784831,5.026367187500001,519,2,0,1.0
OADMET-0002719,CN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1ccc(N2CCOCC2)nc1,2.53,2.3939850330352783,2.4937500000000004,1386,2,0,1.0
OADMET-0002718,Cc1ccc(S(=O)(=O)CC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1C,6.115,4.943374156951904,4.988000000000001,518,3,1,2.0
OADMET-0002717,CC(C1CC1)n1cc(NC(=O)NC2CCCOc3cc(F)ccc32)cn1,5.54,5.5793759028116865,5.284131355932205,60,4,0,1.0
OADMET-0002716,COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NS(=O)(=O)c2cccs2)cc1,4.79,4.5862298011779785,4.682475247524752,517,4,0,1.0
OADMET-0002715,CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccncc1,5.83,4.99986203511556,4.998154761904762,1385,1,0,1.0
OADMET-0002714,CCCOc1cccc(CCNC(=O)N2C3CCC2CC2(C3)CC2(F)F)c1,5.82,4.530893325805664,4.682475247524752,1384,0,1,2.0
OADMET-0002713,Cc1ccc(N(C)C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c(F)c1,5.44,4.614790598551433,4.776467889908257,162,4,0,1.0
OADMET-0002712,CC(F)(F)c1ccccc1NC(=O)NC(C)(C)c1nc2ccccc2s1,5.29,5.236061096191406,5.026367187500001,516,1,0,1.0
OADMET-0002710,NC(=O)CC1(NC(=O)c2cc(Br)cc3[nH]c(=O)[nH]c23)CCOCC1,2.78,3.088437795639038,2.9914062500000007,1383,2,0,1.0
OADMET-0002709,CC(C)(C)n1nnnc1CNC1(c2ccc(Cl)cc2)CCCCC1,5.49,5.58131742477417,5.284131355932205,1382,2,0,1.0
OADMET-0002708,Cc1ccc(CNC(=O)N2CCN(c3ncnc4ccsc34)CC2)s1,1.84,3.176863193511963,3.0979268292682924,255,3,0,1.0
OADMET-0002707,C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(F)cc1N1CCOCC1,5.56,4.992972691853841,4.998154761904762,254,1,1,2.0
OADMET-0002706,CCC(NC(=O)Cn1ncc2ccccc2c1=O)c1cc(F)ccc1F,4.94,5.173480828603108,4.9999852507374625,1381,4,0,1.0
OADMET-0002705,CN(C)Cc1nc2ccc(NC(=O)c3ccc(C4CC4(F)F)cc3)cc2[nH]1,3.56,3.7150490283966064,3.8408219178082192,1380,2,0,1.0
OADMET-0002704,COc1ccc2[nH]c(C(=O)NC[C@@H]3C[C@H](OC)CN3c3ccncn3)cc2c1,5.6,3.862456957499186,3.916360294117648,1379,4,0,1.0
OADMET-0002703,O=C(N[C@H](CO)Cc1ccccc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1,5.16,5.081719716389974,4.9999852507374625,1378,1,0,1.0
OADMET-0002702,Cc1[nH]c(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1,5.24,5.139668305714925,4.9999852507374625,515,1,0,1.0
OADMET-0002701,CC(C)(C)[C@H](NC(=O)c1cc(N2CCCCC2)ccn1)C(N)=O,5.365,5.058613141377767,4.9999852507374625,1377,4,1,2.0
OADMET-0002700,CC(Cc1nc(-c2cccc(S(C)(=O)=O)c2)nn1C12CC(C1)C2)c1ccccc1,5.64,5.387695948282878,5.234230769230769,1376,3,0,1.0
OADMET-0002699,Cn1c(C(=O)NS(=O)(=O)c2ccc(F)cc2F)cc2ccsc21,5.22,3.7382399241129556,3.8408219178082192,1375,3,0,1.0
OADMET-0002698,C[C@H](c1ccccc1)N(CC(N)=O)Cc1cn(C2CCc3ccc(Cl)cc32)nn1,5.7,5.738937218983968,5.284131355932205,1374,1,0,1.0
OADMET-0002697,Cc1ccc(SCC(F)(F)F)c(NC(=O)C(=O)N(C)CCN2CCCC2=O)c1,5.36,5.667824109395345,5.284131355932205,1373,0,0,1.0
OADMET-0002696,Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1cccc(N2C(=O)NCC2C)c1,5.85,5.013363043467204,4.998154761904762,1372,4,0,1.0
OADMET-0002695,Cn1cc(Cl)c(C(=O)Nc2nc(-c3ccccn3)nc3sccc23)n1,2.69,4.017678737640381,4.043714285714285,514,0,1,2.0
OADMET-0002694,Cc1ccc(C(=O)N2CCC(Nc3ncnc4[nH]c5ccccc5c34)CC2)cc1,1.91,3.0336004892985025,2.9914062500000007,513,4,0,1.0
OADMET-0002693,COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCCC2)c2ccccn2)cc1,5.06,5.194427649180095,5.026367187500001,1371,2,0,1.0
OADMET-0002692,CCC(NC(=O)CC(C)(O)c1ccccc1)c1cccc2cc[nH]c12,4.67,5.512742360432942,5.284131355932205,1370,1,0,1.0
OADMET-0002691,CCCN(Cc1cnn(C)c1)C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1,5.35,4.855220635732015,4.821480836236933,1369,0,0,1.0
OADMET-0002690,CCc1ccc(-n2nc(C3CC3)nc2C2CCC(C(=O)N(C)C)CC2)cc1,5.27,4.826472441355388,4.821480836236933,1368,3,0,1.0
OADMET-0002689,Cc1n[nH]c(C)c1CNC(=O)c1ccc(Oc2ccc(C(C)C)cc2)nc1,4.07,3.415118455886841,3.4971951219512194,1367,2,0,1.0
OADMET-0002688,Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cccc(Cl)c1O,4.65,5.201657295227051,5.026367187500001,512,2,1,2.0
OADMET-0002687,Cc1ccccc1-n1ncc(C(=O)NS(=O)(=O)c2ccccc2)c1C(F)(F)F,5.12,4.592164198557536,4.776467889908257,1366,3,1,2.0
OADMET-0002686,O=C(NC1(c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)nc1,5.44,4.86582597096761,4.821480836236933,253,4,1,2.0
OADMET-0002685,O=C1C2CCCCN2S(=O)(=O)N1CCC1CCc2ccccc21,5.98,5.286430199940999,5.067031249999999,1365,4,1,2.0
OADMET-0002684,OC1(c2cn(CCOc3ccc(Cl)cc3)nn2)CCOCC1,3.2,3.6897264321645102,3.6602857142857137,1364,4,0,1.0
OADMET-0002683,CCc1ccc(NC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1S(N)(=O)=O,6.07,5.347128073374431,5.2117424242424235,1363,3,0,1.0
OADMET-0002682,CCn1cc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cn1,2.42,4.245694796244304,4.355306748466257,511,3,0,1.0
OADMET-0002681,COc1cccc(C(O)CNC(=O)c2cnn(C)c2Cc2ccccc2)c1,5.33,4.807747999827067,4.821480836236933,30,1,0,1.0
OADMET-0002680,CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cc(F)ccc1N1CCC(O)CC1,5.4,5.573516368865967,5.284131355932205,30,1,0,1.0
OADMET-0002679,Cc1nscc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2,5.27,5.991433620452881,5.6915,1362,1,1,2.0
OADMET-0002678,Cc1cc(-n2c(C)cc(C(=O)NC3(Cc4ccc(Cl)cc4)CCOC3)c2C)no1,5.53,5.196969827016194,5.026367187500001,1361,0,0,1.0
OADMET-0002677,O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCc2sccc2C1,5.28,4.581119060516357,4.682475247524752,1360,2,0,1.0
OADMET-0002676,CC(NC(=O)c1cnn(C)c1Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1,5.57,4.859017848968506,4.821480836236933,30,1,1,2.0
OADMET-0002675,Cc1nn(-c2ccccc2)cc1NC(=O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2o1,5.8100000000000005,4.763777256011963,4.817948717948719,1359,0,0,1.0
OADMET-0002674,Cc1nc(F)ccc1NC(=O)NC1CCCc2sc(-c3ccc(F)cc3)nc21,5.28,5.031745592753093,4.9999852507374625,1358,2,0,1.0
OADMET-0002673,Cc1cc(CC(C)NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)n(-c2ccccc2)n1,4.81,5.581234773000081,5.284131355932205,1357,1,0,1.0
OADMET-0002672,CNS(=O)(=O)c1csc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1,1.72,3.2372710704803467,3.0979268292682924,1356,4,1,2.0
OADMET-0002671,Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ncnn1-c1ccccc1,5.3,5.149987538655599,4.9999852507374625,61,0,0,1.0
OADMET-0002670,O=C(Nc1cnn(C2CCCCC2)c1)N1CCCN(C(=O)c2ccc(F)cc2)CC1,5.18,4.818555514017741,4.821480836236933,332,2,1,2.0
OADMET-0002669,CC1(C)Oc2cc(-c3ccc4c(c3)CCOC4)ccc2NC1=O,3.36,4.41312837600708,4.543097826086957,1355,3,0,1.0
OADMET-0002668,FC(F)(F)C1(c2nc(-c3cc(C4CC4)[nH]n3)no2)CC2(CCC2)C1,5.03,5.096443335215251,4.9999852507374625,1354,2,0,1.0
OADMET-0002667,O=C(CCNC(=O)c1c[nH]c2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1,1.8,3.297218084335327,3.101637931034483,1353,2,0,1.0
OADMET-0002666,Cc1cc(NCCc2ccccc2S(N)(=O)=O)ncc1S(=O)(=O)N1CC2CCC2(C)C1,6.325,5.632948875427246,5.284131355932205,1352,4,0,1.0
OADMET-0002665,CC1(C)CCC(CCNC(=O)c2ccc3cccnn23)OC1,5.42,4.609349886576335,4.776467889908257,1351,4,0,1.0
OADMET-0002664,O=S(=O)(CCNCc1cc2ccccc2nc1N1CCCCC1)c1ccccc1,5.08,5.655948162078857,5.284131355932205,1350,3,0,1.0
OADMET-0002663,COc1ccc(N(CC2CC2)C(=O)CC2CC(C)(C)CO2)cc1,5.08,4.976845105489095,4.988000000000001,1349,0,0,1.0
OADMET-0002662,COc1cc(OC)nc(N2CCCN(C(=O)c3ccsc3)CC2)n1,5.87,4.959784507751465,4.988000000000001,92,0,1,2.0
OADMET-0002661,Cc1ccc(C)c(-n2ncc(NC(C)c3csc(C)n3)c2C)c1,5.28,5.271472454071045,5.067031249999999,1348,1,0,1.0
OADMET-0002660,Oc1cc2c(NCCc3ccc4[nH]ccc4c3)ncnc2cc1F,1.8,2.61039145787557,2.7054255319148934,1347,4,0,1.0
OADMET-0002659,COC(=O)c1c(CNC(=O)Nc2c(Cl)ccc3c2OC(C)(C)C3)nn2c1CCCC2,5.87,5.977926731109619,5.6915,90,1,0,1.0
OADMET-0002658,CCCOc1cccc(C(=O)NC(c2ccccn2)c2ccccc2OC)c1,5.41,5.311005433400472,5.067031249999999,1346,2,1,2.0
OADMET-0002657,COC(=O)c1c(COc2ccc(C3CC3)cc2Cl)nn2c1CCCC2,5.76,5.982812722524007,5.6915,90,1,0,1.0
OADMET-0002656,COc1cc(Br)ccc1NC(=O)C(C)c1cn(C)c2ccccc12,5.65,5.3651150067647295,5.2117424242424235,510,3,0,1.0
OADMET-0002655,O=C(Nc1cncc2ccc(F)cc12)C1CCOc2ccc(Cl)cc21,5.13,4.595931529998779,4.776467889908257,1345,0,0,1.0
OADMET-0002654,CCCC(C)c1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1,4.73,5.388069788614909,5.234230769230769,252,2,0,1.0
OADMET-0002653,Cn1ncc(C(=O)NCC2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)c1Cc1ccccc1,5.44,5.06363566716512,4.9999852507374625,30,1,0,1.0
OADMET-0002652,CCCOc1ccc2[nH]cc(CCNC(=O)c3cncc4[nH]ccc34)c2c1,1.71,4.345131079355876,4.47620253164557,14,1,1,2.0
OADMET-0002651,CC1CC1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1,5.57,5.805133819580078,5.529772727272728,509,2,0,1.0
OADMET-0002650,CCc1c[nH]c2ncnc(N3CCCC(n4cc(C)cn4)C3)c12,1.75,2.856811761856079,2.795725806451613,89,2,0,1.0
OADMET-0002649,O=C(COC1CC1)Nc1ccc(-n2cnc3ccccc32)nc1,1.79,3.8709789911905923,3.916360294117648,508,1,0,1.0
OADMET-0002648,COC(C)c1cccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)c1,4.69,4.037045955657959,4.092280701754386,1344,1,0,1.0
OADMET-0002647,CN1C(=O)CCCC1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1,1.73,3.258246898651123,3.0979268292682924,1343,0,1,2.0
OADMET-0002646,O=S(=O)(Nc1ccc(CC(F)(F)F)cc1)c1ccc(Cl)s1,4.78,5.231291611989339,5.026367187500001,1342,4,0,1.0
OADMET-0002645,CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC2(c3ccccn3)CCC2)c1,5.67,5.4080813725789385,5.2508333333333335,507,1,1,2.0
OADMET-0002644,CCOCc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1,2.0,4.282668431599935,4.355306748466257,1341,3,1,2.0
OADMET-0002643,COc1ccc(Sc2nsc(NC(=O)N[C@H](CO)C(C)(C)C)n2)cc1,5.98,5.58317216237386,5.284131355932205,1340,2,0,1.0
OADMET-0002642,CCN(C1CCCCC1)S(=O)(=O)c1c(C2OCCO2)cnn1C,5.48,4.968220392862956,4.988000000000001,1339,4,0,1.0
OADMET-0002641,O=C1COc2ncnc(NCC34CCCCC3C4(F)F)c2N1,2.06,2.1120924949645996,2.31875,1338,3,0,1.0
OADMET-0002640,COc1ccc(C(NC(=O)CNC(C)c2cc(F)ccc2-n2cccn2)C2CC2)cc1,5.12,5.109501838684082,4.9999852507374625,149,1,0,1.0
OADMET-0002639,Cc1nc2ccccn2c1CSc1nnc2n(C)c3ccccc3n12,3.52,4.844373067220052,4.821480836236933,1337,1,0,1.0
OADMET-0002638,CCn1ncc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1C(F)(F)F,5.26,4.876792271931966,4.821480836236933,1336,0,0,1.0
OADMET-0002637,CC(Cc1ccccc1C(F)(F)F)N(C)C(=O)Nc1ccc(F)cc1,5.31,5.073027610778809,4.9999852507374625,1335,1,0,1.0
OADMET-0002636,O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1nc2ccccc2nc1N1CCCC1,5.19,5.2017927169799805,5.026367187500001,506,0,0,1.0
OADMET-0002635,O=C(c1cccc(Nc2ccccc2)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1,5.45,4.5317230224609375,4.682475247524752,1334,1,0,1.0
OADMET-0002634,CC(NC(=O)c1c2ccccc2nn1C)c1cccc(C(F)(F)F)c1,4.7,5.419841607411702,5.262777777777777,1333,2,0,1.0
OADMET-0002633,CC(C)(C)n1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cn1,6.045,5.427444934844971,5.262840909090909,1332,1,0,1.0
OADMET-0002632,Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Br,5.79,5.3381930987040205,5.2117424242424235,1331,0,0,1.0
OADMET-0002631,O=C(Nc1cccc(-c2ccccc2)c1)N1CCCC(N2CCCC2=O)CC1,5.77,5.0929185549418134,4.9999852507374625,1330,4,1,2.0
OADMET-0002630,O=C(C1CC(c2ccccn2)=NO1)N1CCCC(Nc2cccc(Br)c2)C1,4.705,4.4898200035095215,4.59815,1329,3,0,1.0
OADMET-0002629,Cc1n[nH]c(NC(=O)c2ccn(-c3c(F)cccc3F)n2)c1-c1ccc2c(c1)OCCO2,4.95,4.25731627146403,4.355306748466257,1328,2,0,1.0
OADMET-0002628,CC(Cc1cccnc1)NC(=O)c1cc(C(C)(C)C)n2ncnc2n1,6.11,4.408740361531575,4.543097826086957,1327,0,0,1.0
OADMET-0002627,CN(CCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,5.29,5.098784287770589,4.9999852507374625,1326,3,0,1.0
OADMET-0002626,CCC1OCCCC1C(=O)Nc1nnc(-c2ccc(C)cc2C)s1,5.19,5.278431415557861,5.067031249999999,1325,4,0,1.0
OADMET-0002625,COc1ccccc1CC1CCCN1C(=O)Cc1cnn2ccccc12,5.3,5.472584088643392,5.284131355932205,64,1,0,1.0
OADMET-0002624,NC(=O)c1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)nn1-c1ccccc1,1.74,5.252220153808594,5.026367187500001,1324,2,1,2.0
OADMET-0002623,CCc1ccc(C(C)NC(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)cc1,5.28,4.745500723520915,4.817948717948719,1323,1,0,1.0
OADMET-0002622,COc1ccc2[nH]cc(C3CCN(c4ncnc5[nH]ncc45)CC3)c2c1,5.52,2.308375438054403,2.4937500000000004,261,0,0,1.0
OADMET-0002621,CSC(C(=O)NC(CNS(=O)(=O)c1cnn(C)c1)c1ccccc1)c1ccccc1,5.15,5.117884000142415,4.9999852507374625,251,2,0,1.0
OADMET-0002620,CC12CC(CN1C(=O)NCc1ccccc1-c1ccc(Cn3cccn3)cc1)C2,5.42,4.8128180503845215,4.821480836236933,1322,0,0,1.0
OADMET-0002619,COCC1(C(=O)Nc2cnc3c(F)c(F)ccc3c2)CCCCC1,5.91,5.380871136983235,5.234230769230769,1321,3,0,1.0
OADMET-0002618,CC(C)c1nc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c[nH]1,4.87,5.187040487925212,5.026367187500001,1320,1,0,1.0
OADMET-0002617,O=C(c1ccn(-c2cc(F)cc(F)c2)n1)N1CCCc2ccccc21,5.67,5.54171880086263,5.284131355932205,1319,4,0,1.0
OADMET-0002616,COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(O)c2ccccc2)ccc1C,5.88,5.279667377471924,5.067031249999999,1318,4,0,1.0
OADMET-0002615,CC(C)C(NC(=O)C1CC12CCc1ccccc12)c1nc(C2CC2)no1,5.33,5.694695790608724,5.284131355932205,505,4,0,1.0
OADMET-0002614,Nc1nncc(-c2cccc(C(=O)N3CC4(CCC4)CC3C(F)(F)F)c2)n1,5.5,5.15265417098999,4.9999852507374625,1317,2,0,1.0
OADMET-0002613,CC(C)(C)Cc1cc(NC(=O)C2CCCc3sc(N)nc32)n[nH]1,5.29,5.452070871988933,5.262840909090909,1316,3,0,1.0
OADMET-0002612,CC(C)c1occc1C(=O)N(C)C1CCCN(c2ccccc2)C1=O,4.85,5.052777290344238,4.9999852507374625,1315,1,0,1.0
OADMET-0002611,CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1,5.27,4.409438451131185,4.543097826086957,250,0,0,1.0
OADMET-0002610,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1,4.6850000000000005,5.365944067637126,5.2117424242424235,1314,2,0,1.0
OADMET-0002609,Cc1cc(C)nc(-c2noc(C(CC(C)C)N3CCCCC3=O)n2)c1,4.67,5.417416890462239,5.262777777777777,1313,1,0,1.0
OADMET-0002608,CCN(CC(=O)OC)C(=O)c1ccc(-c2cccc(C)c2)n1C,4.76,4.8833794593811035,4.821480836236933,1312,0,0,1.0
OADMET-0002607,CC(Cc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1)C(=O)O,5.08,2.6567060947418213,2.7054255319148934,249,1,0,1.0
OADMET-0002606,CCOC(C)c1nc(C(NC(=O)OC(C)(C)C)c2ccccc2)no1,5.33,5.496634006500244,5.284131355932205,1311,4,0,1.0
OADMET-0002605,Cc1cccc(C(NC(=O)N2CCC(Cn3cccn3)CC2)C(C)(C)C)c1,5.6,5.653039932250977,5.284131355932205,1310,3,0,1.0
OADMET-0002604,Cc1conc1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C,5.81,6.046609560648601,5.726304347826088,1309,2,0,1.0
OADMET-0002603,CC1CCN(C(=O)C2CC23CCc2ccccc23)c2c(O)cccc21,6.855,6.006829420725505,5.726304347826088,1308,1,0,1.0
OADMET-0002602,CC(C)C(C)(NCc1cn(C(C)(C)C)nn1)c1ccc(Br)cc1,5.62,5.374970118204753,5.2117424242424235,1307,0,0,1.0
OADMET-0002601,Cc1ccc(-c2nc(C)c(C(=O)N3C4C=CCC3CC4)s2)o1,5.915,6.125121593475342,5.726304347826088,1306,4,0,1.0
OADMET-0002600,CC(NC(=O)N1CCCC1CCO)c1ccccc1Oc1ccccc1,5.28,4.95615816116333,4.988000000000001,103,3,0,1.0
OADMET-0002599,CCCC1(COC)CCCN1C(=O)N[C@@H](C)c1cccc(O)c1,5.63,5.958559513092041,5.6371875000000005,248,2,1,2.0
OADMET-0002598,O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1cnn(-c2ccccc2F)c1,5.4,4.952487468719482,4.988000000000001,1305,3,0,1.0
OADMET-0002597,CC(C)(C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1)c1ccc(F)cc1,5.09,5.161781628926595,4.9999852507374625,1304,1,0,1.0
OADMET-0002596,O=C(C1CC1)N1CCCN(c2cccc(C(F)(F)F)n2)CC1,5.47,5.751876672108968,5.284131355932205,62,4,1,2.0
OADMET-0002595,O=C(NCc1nnnn1C1CC1)c1ccc(-n2cnnn2)cc1Cl,2.69,3.8053216139475503,3.8408219178082192,1303,4,0,1.0
OADMET-0002594,CCS(=O)(=O)c1ccccc1CC(=O)N(C)c1ccc(C)nn1,4.175,4.465136845906575,4.5774358974358975,1302,0,0,1.0
OADMET-0002593,O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1,4.609999999999999,4.429348945617676,4.543097826086957,247,3,1,2.0
OADMET-0002592,CC(C)C(=O)N1CCCN(c2ccnc(Cc3ccc(F)cc3)n2)CC1,5.68,5.3452301025390625,5.2117424242424235,1301,4,0,1.0
OADMET-0002591,O=C(c1cnc2ccccn12)N1CCN(C2CC2)c2ccccc21,5.23,5.233163992563884,5.026367187500001,20,2,1,2.0
OADMET-0002590,COc1cccc(S(=O)(=O)N2CCN(C)CC2c2ccccc2)c1,5.12,5.035192648569743,4.9999852507374625,63,3,0,1.0
OADMET-0002589,COc1ccc2c(c1)[C@H](n1cc(-c3ccccc3OC)nn1)CCO2,5.2,4.878477891286214,4.821480836236933,59,0,0,1.0
OADMET-0002588,Cc1cc(F)ccc1[C@H](C)n1cc(C(C)(O)Cc2ccccc2)nn1,5.41,5.135359446207683,4.9999852507374625,504,3,0,1.0
OADMET-0002587,CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3OC(F)F)CC2)cc1,5.02,5.303116798400879,5.067031249999999,1300,3,0,1.0
OADMET-0002586,CC(C)CC1(CO)CCCN1C(=O)NCC(C)(C)c1cccs1,5.62,6.026853561401367,5.726304347826088,503,2,0,1.0
OADMET-0002585,CC(C)(C)c1ccccc1C(=O)N1CCC(Cn2ccnn2)CC1,5.35,4.757582187652588,4.817948717948719,9,2,0,1.0
OADMET-0002584,CCOC(=O)C(Cc1ccccc1)N(C(=O)c1cncc(Cl)c1)C1CC1,5.62,5.0384805997212725,4.9999852507374625,1299,2,0,1.0
OADMET-0002583,Cn1ncc(C2CC2)c1C(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1,5.91,4.845063845316569,4.821480836236933,1298,1,0,1.0
OADMET-0002582,OC1(CNc2ncnc3ccc(F)cc23)CCCCCC1,1.75,2.7788153489430747,2.795725806451613,502,1,0,1.0
OADMET-0002581,COc1ccc2c(c1)CCN(C(=O)C(OC)c1ccccc1)CC2,5.29,4.939273357391357,4.988000000000001,501,0,0,1.0
OADMET-0002580,O=S(=O)(c1ccnn1CC1CCC1)N1CCc2ccncc21,5.6,4.768702665964763,4.821480836236933,1297,0,0,1.0
OADMET-0002579,COc1ccccc1-c1cn(Cc2coc(C3CC3)n2)nn1,5.15,4.895398457845052,4.834642319277108,59,0,1,2.0
OADMET-0002578,CCOc1cncc(NS(=O)(=O)c2cccc(N(C)C)c2)n1,4.65,5.255724906921387,5.067031249999999,1296,4,0,1.0
OADMET-0002577,N#Cc1c(C2CC2)n[nH]c1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2,5.03,5.030442873636882,4.9999852507374625,1295,3,0,1.0
OADMET-0002576,CCn1c(SCC(=O)N(C)C2CCCCC2)nc2ccccc2c1=O,5.38,5.539731979370117,5.284131355932205,500,0,0,1.0
OADMET-0002575,CC(NC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc2c(c1)CC(=O)N2,6.16,4.918967882792155,4.888,1294,2,0,1.0
OADMET-0002574,Cc1nocc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1,4.79,5.778759002685547,5.284131355932205,1293,1,0,1.0
OADMET-0002573,CCC(NC(=O)c1cc(C)n(CC)c1C)C(O)C(F)(F)F,5.41,5.003389040629069,4.998154761904762,1292,0,0,1.0
OADMET-0002572,COCC(NS(=O)(=O)c1cc(C)ccc1Cl)c1cccc(OC)c1,5.58,5.631710370381673,5.284131355932205,1291,4,0,1.0
OADMET-0002571,Cn1cnnc1C1CCCN1c1cccc(-n2cnc3ccccc32)n1,6.0600000000000005,3.967686494191488,4.031000000000001,499,4,0,1.0
OADMET-0002570,CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1,5.14,4.7633317311604815,4.817948717948719,1290,2,0,1.0
OADMET-0002569,Cc1cc(C(=O)N(C)C2(C(F)(F)F)CC2)nn1C(C)(C)C,5.58,5.381076494852702,5.234230769230769,498,3,0,1.0
OADMET-0002568,C=C1CCC(CNc2nc(C)ccc2S(=O)(=O)N2C3CCCC2CC(=O)NC3)CC1,5.53,4.808400630950928,4.821480836236933,1289,0,0,1.0
OADMET-0002567,CC1(C)[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)[C@H]1c1ccccc1,5.93,5.691765785217285,5.284131355932205,1288,0,0,1.0
OADMET-0002566,COc1ccc(C(C)NC(=O)N2CCCCCC2c2ccncc2)cc1F,5.61,4.94519567489624,4.988000000000001,497,1,1,2.0
OADMET-0002565,C[C@@H](c1cccc(F)c1)n1cc(CC2(C#N)CCCCC2)nn1,5.55,5.648911952972412,5.284131355932205,496,3,0,1.0
OADMET-0002564,CCOC(Cn1cc(-c2ccc(C)c(Cl)c2)nn1)OCC,5.52,5.270935535430908,5.067031249999999,1287,1,0,1.0
OADMET-0002563,Cc1nc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc2ccccc12,5.36,5.108156204223633,4.9999852507374625,1286,0,0,1.0
OADMET-0002562,Cc1cccc(C(C)NC(=O)c2cc(-c3ccccc3O)[nH]n2)c1C,4.94,5.319708347320557,5.067031249999999,1285,4,0,1.0
OADMET-0002561,Cn1nc(-c2cccnc2)cc1C(=O)N1CCC2(CC1)OCCc1ccccc12,5.32,4.711358706156413,4.817948717948719,495,0,0,1.0
OADMET-0002560,Cc1cccc(Oc2ccccc2C(=O)N2CCCC(C(O)C(F)(F)F)C2)c1,5.4,5.019107341766357,4.998154761904762,1284,3,0,1.0
OADMET-0002559,COC(C)(C(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1ccccc1,6.140000000000001,5.865516821543376,5.562857142857142,494,4,0,1.0
OADMET-0002558,Cn1nc(CNC(=O)[C@H]2COCC[C@H]2c2ccccc2)cc1C1CC1,4.57,4.82075564066569,4.821480836236933,272,0,1,2.0
OADMET-0002557,CCCCCC1NC(=O)N(Cc2ccccc2-n2nc(C)cc2C)C1=O,5.13,5.158374627431233,4.9999852507374625,1283,2,0,1.0
OADMET-0002556,CCOc1cc(NC(=O)c2cc(C)cc3ccncc23)cc(OCC)c1,5.6,5.06492265065511,4.9999852507374625,1282,1,0,1.0
OADMET-0002555,Nc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cn1,5.03,3.883229891459147,3.916360294117648,286,2,1,2.0
OADMET-0002554,O=C(c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCC(c2cn[nH]c2)CC1,5.08,4.35349686940511,4.47620253164557,1281,0,0,1.0
OADMET-0002553,NC(=O)c1ccc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)s1,5.89,5.542743841807048,5.284131355932205,1280,4,0,1.0
OADMET-0002552,O=C(Cn1cc(-c2cncc(F)c2)nn1)N1CC2CCCCC21c1ccccc1,5.52,5.110640525817871,4.9999852507374625,1279,3,0,1.0
OADMET-0002551,COc1ccc2[nH]nc(C(=O)NC(C)c3ccccc3N(C)C)c2c1,5.44,5.384011586507161,5.234230769230769,1278,2,0,1.0
OADMET-0002550,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCO2,5.11,5.755991776784261,5.284131355932205,246,2,1,2.0
OADMET-0002549,Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@H]1C[C@@]1(C)OC(C)C,5.63,4.480880419413249,4.59815,493,2,0,1.0
OADMET-0002547,Cc1ccc(NC(=O)c2nnc(C3CC3)o2)cc1OCCC(C)C,5.16,5.283134937286377,5.067031249999999,1277,1,0,1.0
OADMET-0002546,COc1cccc2[nH]cc(S(=O)(=O)NC(C)CCSC)c12,5.36,5.463833808898926,5.269615384615386,1276,4,0,1.0
OADMET-0002545,Cc1noc(C(C)N2CC3CCC(C2)N3C(=O)C2CC(C)(C)C2)n1,4.96,4.208635648091634,4.355306748466257,1275,2,0,1.0
OADMET-0002544,CN1C(=O)CCC(C(=O)Nc2cccc(-c3nnnn3C)c2)C1c1cnn(C)c1,3.45,3.101754824320475,2.9914062500000007,1274,3,1,2.0
OADMET-0002543,COc1ccc(S(=O)(=O)N2c3ncnn3CCC2C)cc1F,5.14,4.994457721710205,4.998154761904762,1273,2,0,1.0
OADMET-0002542,Cc1ccn2c(=O)c(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cnc2c1,5.54,5.2270307540893555,5.026367187500001,245,3,1,2.0
OADMET-0002541,CCC(C)Oc1cc(C(=O)N2CCC(C)c3cccc(O)c32)ccn1,6.195,6.255942026774089,6.1775,492,4,0,1.0
OADMET-0002539,O=S(=O)(Nc1cccc2[nH]ccc12)c1sccc1C1CC1,6.050000000000001,5.24489704767863,5.026367187500001,491,3,1,2.0
OADMET-0002538,COc1ccccc1-c1cn(Cc2nc(C(C)(C)C)cs2)nn1,5.835,5.460625966389974,5.269615384615386,59,0,1,2.0
OADMET-0002537,O=S1(=O)CCC2(CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)C1,5.45,4.724412600199382,4.817948717948719,136,3,1,2.0
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,6.12,4.266199429829915,4.355306748466257,244,1,0,1.0
OADMET-0002337,CCOP(=O)(OCC)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC,6.87,5.794038772583008,5.529772727272728,1272,1,0,1.0
OADMET-0002333,Fc1ccc(N2CCNCC2)cc1,2.17,2.3850329717000327,2.4937500000000004,227,1,1,2.0
OADMET-0002332,c1ccc(C2CCNC2)cc1,3.95,2.844764312108358,2.795725806451613,490,3,0,1.0
OADMET-0002331,Cn1c(C(=O)O)cc2cc(Cl)ccc21,3.77,2.8001907666524253,2.795725806451613,447,4,1,2.0
OADMET-0002330,Cc1ccc(-c2nc3ccccc3s2)cc1N,3.9,4.514464696248372,4.59815,243,4,0,1.0
OADMET-0002329,O=C(O)CSc1ccccc1,1.87,2.8299967447916665,2.795725806451613,58,2,1,2.0
OADMET-0002328,Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1,3.31,3.424858570098877,3.4971951219512194,11,3,0,1.0
OADMET-0002327,COc1ccc(-c2noc(CCCC(=O)O)n2)cc1,2.65,2.674012819925944,2.7054255319148934,242,0,1,2.0
OADMET-0002326,O=C(O)c1cc(-c2ccc(O)cc2)on1,1.86,2.497664213180542,2.5691379310344833,17,0,1,2.0
OADMET-0002325,COc1ccc(OC)c(N)c1,2.96,3.108795642852783,2.9914062500000007,83,4,1,2.0
OADMET-0002324,Nc1nc2ccc(Cl)cc2s1,3.58,3.585482120513916,3.571791044776119,34,3,0,1.0
OADMET-0002323,O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1,1.96,2.574119249979655,2.5691379310344833,135,2,1,2.0
OADMET-0002322,Nc1nccs1,2.83,3.002934694290161,2.9914062500000007,1271,0,0,1.0
OADMET-0002321,Cc1ccc(N2CC(C(=O)O)CC2=O)cc1C,2.54,2.775386412938436,2.795725806451613,128,0,0,1.0
OADMET-0002320,O=C(O)Cn1ccc([N+](=O)[O-])n1,1.88,2.0216070413589478,2.29,468,4,0,1.0
OADMET-0002319,Cc1ccc(SC(C)C(=O)O)cc1,3.0,3.0867716471354165,2.9914062500000007,225,3,1,2.0
OADMET-0002318,COc1ccc2cc(C(=O)O)[nH]c2c1,2.88,2.889056841532389,2.795725806451613,0,0,0,1.0
OADMET-0002317,O=C(O)c1ccc(-n2cnnn2)cc1,1.92,2.976834217707316,2.811071428571428,57,0,1,2.0
OADMET-0002316,Cc1csc2ncc(C(=O)O)c(=O)n12,2.11,2.0146040519078574,2.29,238,2,0,1.0
OADMET-0002315,NCc1ccc2c(c1)OCO2,2.64,2.4922660191853843,2.5691379310344833,55,4,1,2.0
OADMET-0002314,Nc1ccc2c(c1)OCO2,2.63,3.119565963745117,2.9914062500000007,55,4,1,2.0
OADMET-0002313,COc1ccccc1CN,2.02,2.2324573198954263,2.353951612903226,7,3,0,1.0
OADMET-0002312,COc1ccc(CCN)cc1OC,2.47,2.244302829106649,2.353951612903226,82,4,0,1.0
OADMET-0002311,Nc1ccc(N2CCCCC2)cc1,2.95,3.7155242760976157,3.8408219178082192,241,4,1,2.0
OADMET-0002310,CN(C)c1cccc(C(=O)O)c1,1.97,3.083432753880819,2.9914062500000007,5,2,1,2.0
OADMET-0002309,COc1ccc(CCC(=O)O)cc1OC,2.87,2.3658761183420816,2.4937500000000004,18,4,0,1.0
OADMET-0002308,Cc1ccc(C(=O)O)o1,2.32,2.3197940985361734,2.4937500000000004,132,1,0,1.0
OADMET-0002307,Cc1c(N)cccc1Cl,2.89,3.0650343100229898,2.9914062500000007,481,1,1,2.0
OADMET-0002306,O=C(O)c1cc(Br)cc(Br)c1O,2.89,2.856346925099691,2.795725806451613,48,1,1,2.0
OADMET-0002305,O=C(O)c1cc(-c2cccs2)on1,2.18,2.3463821411132812,2.4937500000000004,17,0,1,2.0
OADMET-0002304,NCCCc1ccccc1,2.2,2.6761293411254883,2.7054255319148934,18,4,0,1.0
OADMET-0002303,COc1ccc(OCC(=O)O)cc1,2.76,2.4383413791656494,2.5691379310344833,0,0,0,1.0
OADMET-0002302,NCCCn1ccnc1,2.82,2.344327131907145,2.4937500000000004,1270,4,0,1.0
OADMET-0002301,NCCc1ccc(S(N)(=O)=O)cc1,2.91,2.065529982248942,2.31875,88,2,1,2.0
OADMET-0002300,CCOc1ccccc1C(=O)O,2.1,2.420248508453369,2.4937500000000004,2,3,1,2.0
OADMET-0002299,O=C(O)c1sc2cc(Cl)ccc2c1Cl,3.05,3.3346129258473716,3.101637931034483,33,4,0,1.0
OADMET-0002298,COc1cccc(OC)c1C(=O)O,2.13,2.0423938830693564,2.29,0,0,1,2.0
OADMET-0002297,COc1cccc2cc(C(=O)O)c(=O)oc12,2.2,2.6951657931009927,2.7054255319148934,38,0,1,2.0
OADMET-0002296,O=C(O)c1cc2cc(F)ccc2[nH]1,2.01,3.0302175680796304,2.9914062500000007,31,3,0,1.0
OADMET-0002295,NC(=O)C1CCNCC1,2.09,2.409630616505941,2.4937500000000004,482,2,0,1.0
OADMET-0002294,NC(=O)C1(N2CCCCC2)CCNCC1,2.06,2.2328384717305503,2.353951612903226,159,4,0,1.0
OADMET-0002293,c1ccc2c(c1)CCNC2,2.22,2.6999608675638833,2.7054255319148934,1269,3,0,1.0
OADMET-0002292,NCc1cccnc1,1.92,2.2410000960032144,2.353951612903226,51,2,0,1.0
OADMET-0002291,O=C(O)CCCN1C(=O)c2cccc3cccc(c23)C1=O,4.27,3.575615564982096,3.571791044776119,78,1,1,2.0
OADMET-0002290,O=C(O)c1cccs1,2.12,2.29274050394694,2.46,56,0,1,2.0
OADMET-0002289,O=C(O)COc1ccc(Br)cc1,2.97,2.4147096474965415,2.4937500000000004,3,4,1,2.0
OADMET-0002288,O=C(O)CSc1nc2ccccc2s1,2.96,3.3465550740559897,3.101637931034483,58,2,0,1.0
OADMET-0002287,O=C(O)COc1ccc(Cl)cc1,2.76,2.57086181640625,2.5691379310344833,3,4,1,2.0
OADMET-0002286,O=C(O)c1ccc2c(c1)OCO2,2.55,2.2823071479797363,2.46,55,4,1,2.0
OADMET-0002285,CCOc1ccc(C(=O)O)cc1,2.21,2.8054370880126953,2.795725806451613,0,0,1,2.0
OADMET-0002284,Cc1cc2oc(C(=O)O)c(C)c2cc1C,3.5,2.7379815578460693,2.795725806451613,134,0,0,1.0
OADMET-0002283,O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1,3.52,3.574846108754476,3.571791044776119,22,1,0,1.0
OADMET-0002282,O=C(O)c1ccc(-c2cccc(F)c2)nc1,2.73,2.5817996660868325,2.5691379310344833,5,2,1,2.0
OADMET-0002281,O=C(O)c1ccc(OC(F)F)c(OCC2CC2)c1,3.65,3.312673250834147,3.101637931034483,450,1,1,2.0
OADMET-0002280,O=C(O)c1ccncc1,1.96,2.338004986445109,2.4937500000000004,0,0,0,1.0
OADMET-0002279,O=C(O)CCn1c(=O)oc2ccccc21,1.97,2.288462241490682,2.46,26,0,1,2.0
OADMET-0002278,O=C(O)C1COc2ccccc2O1,2.91,2.5911502043406167,2.7054255319148934,489,2,1,2.0
OADMET-0002277,COc1ccc(C(=O)O)cc1,2.26,2.6901328563690186,2.7054255319148934,0,0,0,1.0
OADMET-0002276,Cc1ccc(C(=O)O)cc1Cl,2.88,2.6513589223225913,2.7054255319148934,6,4,1,2.0
OADMET-0002275,Cc1cc(Cl)ccc1OCC(=O)O,2.96,3.269725481669108,3.0979268292682924,1,2,1,2.0
OADMET-0002274,O=C(O)c1cc([N+](=O)[O-])ccc1Cl,1.85,2.3999205430348716,2.4937500000000004,2,3,1,2.0
OADMET-0002273,COc1cccc(C(=O)O)c1,2.48,2.3125545978546143,2.4937500000000004,0,0,1,2.0
OADMET-0002272,O=C(Nc1ccccc1C(=O)O)c1ccco1,3.13,2.5313451290130615,2.5691379310344833,28,2,1,2.0
OADMET-0002271,COc1ccc(C(=O)O)cc1Br,3.02,2.6177576382954917,2.7054255319148934,0,0,1,2.0
OADMET-0002270,O=C(O)c1cccnc1Cl,2.11,2.6821390787760415,2.7054255319148934,2,3,1,2.0
OADMET-0002269,CCC(CC)C(=O)O,2.35,2.1378677686055503,2.353951612903226,87,4,0,1.0
OADMET-0002268,CCCCCCCCCCCCCCCC(=O)O,2.5,2.5395565032958984,2.5691379310344833,125,0,0,1.0
OADMET-0002267,O=C(O)c1cc(-c2ccc(Cl)cc2Cl)on1,3.37,2.9260342915852866,2.811071428571428,17,0,1,2.0
OADMET-0002266,Cc1nc(SCC(=O)O)c2c(C)c(C)sc2n1,3.88,2.4659191767374673,2.5691379310344833,446,4,0,1.0
OADMET-0002265,Cc1onc(-c2ccccc2Cl)c1C(=O)O,2.94,2.9989331563313804,2.811071428571428,29,0,1,2.0
OADMET-0002264,O=C(O)c1cccc([N+](=O)[O-])c1,2.02,1.9667529265085857,2.29,5,2,0,1.0
OADMET-0002263,O=C(O)c1c(F)cccc1F,1.82,2.22712779045105,2.353951612903226,5,2,1,2.0
OADMET-0002262,Cc1cc(C)cc(C(=O)O)c1,1.97,2.2753635247548423,2.353951612903226,6,4,0,1.0
OADMET-0002261,O=C(O)c1cc2c(ccc3ccccc32)o1,3.38,2.689188559850057,2.7054255319148934,240,2,0,1.0
OADMET-0002260,COc1ccc(Br)cc1C(=O)O,2.01,2.7360506852467856,2.795725806451613,1,2,1,2.0
OADMET-0002259,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O,4.01,3.281489451726278,3.101637931034483,29,0,1,2.0
OADMET-0002258,O=C(O)c1cccc(F)c1,2.66,2.130891958872477,2.353951612903226,5,2,0,1.0
OADMET-0002257,COc1cccc(OCC(=O)O)c1,3.23,2.7443723678588867,2.795725806451613,3,4,1,2.0
OADMET-0002256,O=C(O)c1cc(Br)c(Br)s1,3.03,2.5635708967844644,2.5691379310344833,488,1,1,2.0
OADMET-0002255,CCCCCCCC/C=C\CCCCCCCC(=O)O,2.17,2.79214080174764,2.795725806451613,133,1,0,1.0
OADMET-0002254,CCCCCCCCC(=O)O,2.45,2.4367263317108154,2.5691379310344833,125,0,0,1.0
OADMET-0002253,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O,3.05,4.026847203572591,4.043714285714285,11,3,1,2.0
OADMET-0002252,O=C(O)COc1ccc(C(=O)c2ccccc2)cc1,2.04,2.4845828215281167,2.5691379310344833,3,4,1,2.0
OADMET-0002251,O=C(O)c1c(F)cccc1Cl,2.57,2.1441131432851157,2.353951612903226,2,3,0,1.0
OADMET-0002250,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,4.14,3.9152814547220864,3.916360294117648,487,0,0,1.0
OADMET-0002249,O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,3.05,2.4656341870625815,2.5691379310344833,78,1,1,2.0
OADMET-0002248,CCC(C(=O)O)c1ccccc1,2.45,2.6770474116007485,2.7054255319148934,19,2,1,2.0
OADMET-0002247,O=C(O)c1ccc([N+](=O)[O-])cc1,2.55,2.440687815348307,2.5691379310344833,0,0,0,1.0
OADMET-0002246,O=C(O)c1ccco1,1.92,2.2752248446146646,2.353951612903226,17,0,1,2.0
OADMET-0002245,CCc1nn(C)c(C(=O)O)c1Cl,2.64,2.3457486629486084,2.4937500000000004,486,3,0,1.0
OADMET-0002244,CCc1nc2ccc(C(=O)O)cc2nc1CC,2.05,2.0047701597213745,2.29,239,1,0,1.0
OADMET-0002243,O=C(O)c1ccc(I)cc1,3.18,2.382418711980184,2.4937500000000004,0,0,1,2.0
OADMET-0002242,O=C(O)CN1CCOCC1,2.01,2.374472459157308,2.4937500000000004,86,3,0,1.0
OADMET-0002241,O=C(O)c1cnc2sccn2c1=O,2.75,1.9953512748082478,2.29,238,2,0,1.0
OADMET-0002240,O=C(O)c1ccc(NC(=O)c2ccco2)cc1,3.05,2.526465574900309,2.5691379310344833,28,2,1,2.0
OADMET-0002239,COc1ccc(C(=O)O)cc1OC,2.07,2.1231141090393066,2.31875,0,0,1,2.0
OADMET-0002238,Cc1oncc1C(=O)O,2.19,2.51864226659139,2.5691379310344833,485,1,1,2.0
OADMET-0002237,O=C(O)C(Sc1ccccc1)c1ccccc1,3.72,3.762585163116455,3.8408219178082192,19,2,1,2.0
OADMET-0002236,O=C(O)c1cccc(-c2ccco2)c1,2.92,2.6213788986206055,2.7054255319148934,5,2,1,2.0
OADMET-0002235,O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1,2.88,2.7087408701578775,2.7054255319148934,6,4,1,2.0
OADMET-0002234,O=C(O)CC1c2ccccc2Oc2ccccc21,3.75,3.820946137110392,3.916360294117648,466,3,1,2.0
OADMET-0002233,O=C(O)CN1CCCC1=O,1.88,2.265024026234945,2.353951612903226,10,1,1,2.0
OADMET-0002232,CC(=O)Nc1ccc(C(=O)O)cc1,2.69,2.821336507797241,2.795725806451613,0,0,0,1.0
OADMET-0002231,O=C(O)CC(c1ccccc1)c1ccccc1,3.7,3.771947701772054,3.8408219178082192,18,4,1,2.0
OADMET-0002230,O=C(O)C(CO)c1ccccc1,2.49,2.6234867572784424,2.7054255319148934,19,2,1,2.0
OADMET-0002229,Cc1ccccc1C(=O)O,2.61,2.1674721240997314,2.353951612903226,2,3,1,2.0
OADMET-0002228,O=C(O)c1cc2ccccc2cc1O,3.04,3.3439183235168457,3.101637931034483,2,3,1,2.0
OADMET-0002227,COc1cc(C(=O)O)cc(OC)c1OCc1ccccc1,2.87,2.720691363016764,2.7054255319148934,37,4,0,1.0
OADMET-0002226,O=C(O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,2.02,2.2156643867492676,2.353951612903226,484,2,0,1.0
OADMET-0002225,O=C(O)c1cccc2c(Br)cccc12,3.54,3.1468895276387534,3.0979268292682924,2,3,1,2.0
OADMET-0002224,CC(CC(=O)O)c1ccccc1,3.24,3.3543166319529214,3.101637931034483,19,2,0,1.0
OADMET-0002223,CN1CCCCC1C(=O)O,2.1,1.8280185461044312,2.1492857142857145,85,2,0,1.0
OADMET-0002222,COc1cc(C(=O)O)c([N+](=O)[O-])cc1OC,2.03,2.117250680923462,2.31875,1,2,0,1.0
OADMET-0002221,O=C(O)c1cnccn1,2.64,2.140487273534139,2.353951612903226,237,0,0,1.0
OADMET-0002220,COc1cc(C(=O)O)cc(OC)c1OC,1.88,1.861870527267456,2.1492857142857145,0,0,1,2.0
OADMET-0002219,Cc1ccc(C(=O)O)cc1,1.98,2.5467339356740317,2.5691379310344833,0,0,1,2.0
OADMET-0002218,Cc1cc(NC(=O)c2ccccc2C)ccc1C(=O)O,3.44,2.7520906130472818,2.795725806451613,36,0,0,1.0
OADMET-0002217,COc1ccc(Cl)cc1C(=O)O,2.05,2.564100980758667,2.5691379310344833,1,2,1,2.0
OADMET-0002216,Cc1c(C(=O)O)cccc1-c1ccc(OC(F)(F)F)cc1,2.96,2.6954954465230307,2.7054255319148934,458,0,0,1.0
OADMET-0002215,Cc1c(C(=O)O)oc2ccc(F)cc12,2.52,2.9356820583343506,2.811071428571428,76,2,1,2.0
OADMET-0002214,O=C(O)CSCc1ccc(Cl)cc1,3.93,3.2080390453338623,3.0979268292682924,3,4,1,2.0
OADMET-0002213,CC(C)c1ccc(OCc2ccc(C(=O)O)cc2)cc1,2.98,3.1703196366628013,3.0979268292682924,0,0,1,2.0
OADMET-0002212,O=C(O)c1ccccc1O,2.01,2.366925080617269,2.4937500000000004,2,3,1,2.0
OADMET-0002211,CC(C)C(=O)O,1.85,2.4456995328267417,2.5691379310344833,87,4,1,2.0
OADMET-0002210,O=C(O)CCSc1ccccc1,1.91,2.3304786682128906,2.4937500000000004,18,4,1,2.0
OADMET-0002209,O=C(O)Cc1ccccc1[N+](=O)[O-],2.72,2.5274287859598794,2.5691379310344833,471,0,0,1.0
OADMET-0002208,O=C(O)c1ccc(-c2ccc(Cl)cc2)o1,3.05,3.1712114016215005,3.0979268292682924,132,1,0,1.0
OADMET-0002207,O=C(O)c1ccc2ccccc2n1,2.89,2.723991870880127,2.7054255319148934,211,2,0,1.0
OADMET-0002206,COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1,2.84,2.4704222679138184,2.5691379310344833,0,0,0,1.0
OADMET-0002205,O=C(O)c1cc(Cl)ccc1O,2.33,2.2086477279663086,2.353951612903226,1,2,0,1.0
OADMET-0002204,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,3.67,3.1303579012552896,3.0979268292682924,19,2,1,2.0
OADMET-0002203,O=C(O)c1cc(-c2ccccc2)nc2ccccc12,4.08,3.805485645929972,3.916360294117648,11,3,1,2.0
OADMET-0002202,O=C(O)c1cc2ccccc2oc1=O,2.98,2.628058115641276,2.7054255319148934,20,2,1,2.0
OADMET-0002201,O=C(O)COc1ccc([N+](=O)[O-])cc1,2.25,2.255988359451294,2.353951612903226,3,4,1,2.0
OADMET-0002200,O=C(O)c1cccnc1,2.24,1.989092270533244,2.29,5,2,0,1.0
OADMET-0002199,O=C(O)CN1CCCC1,1.95,1.8355836868286133,2.1492857142857145,236,4,0,1.0
OADMET-0002198,O=C(O)CCCCN1CCOCC1,2.77,2.5737180709838867,2.5691379310344833,86,3,0,1.0
OADMET-0002197,CC(C)(O)C(=O)O,1.95,1.5645739634831746,1.9533333333333334,1268,2,0,1.0
OADMET-0002196,O=C(O)CCc1ccccc1,3.01,2.7077298164367676,2.7054255319148934,18,4,0,1.0
OADMET-0002195,CC(C)CC(=O)O,2.9,2.8145910104115806,2.795725806451613,87,4,1,2.0
OADMET-0002194,O=C(O)Cc1ccc(Cl)cc1,2.54,2.812573035558065,2.795725806451613,3,4,1,2.0
OADMET-0002193,CC(C)(C)c1ccc(C(=O)NCCC(=O)O)cc1,2.65,3.584422508875529,3.571791044776119,15,3,1,2.0
OADMET-0002192,O=C(O)CSc1ccc(Cl)cc1,3.05,2.31823722521464,2.4937500000000004,3,4,1,2.0
OADMET-0002191,O=C(O)CCSc1ccc(Cl)cc1,3.73,2.5108934243520102,2.5691379310344833,3,4,1,2.0
OADMET-0002190,O=C(O)c1ccc(Cl)cc1[N+](=O)[O-],2.93,2.836668093999227,2.795725806451613,1,2,1,2.0
OADMET-0002189,CCCCN1CCCCC1C(=O)O,1.83,2.256701866785685,2.353951612903226,85,2,0,1.0
OADMET-0002188,O=C(O)CS,2.1,2.1869102319081626,2.353951612903226,1267,1,0,1.0
OADMET-0002187,Cc1ccc(C(=O)O)cc1C#Cc1cnc2cccnn12,2.06,2.6419496536254883,2.7054255319148934,463,0,0,1.0
OADMET-0002186,CCCCOc1cc(C(=O)O)c2ccccc2n1,3.79,3.804114580154419,3.8408219178082192,11,3,0,1.0
OADMET-0002185,O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1.82,2.909330685933431,2.795725806451613,17,0,1,2.0
OADMET-0002184,O=C(O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,3.5,4.31436030069987,4.47620253164557,11,3,0,1.0
OADMET-0002183,O=C(O)C(Cl)Cl,1.92,2.1317471265792847,2.353951612903226,87,4,0,1.0
OADMET-0002182,O=C(O)COc1ccc(F)cc1,2.58,2.5527079900105796,2.5691379310344833,3,4,1,2.0
OADMET-0002181,CC(=O)c1c(C)[nH]c(C(=O)O)c1C,2.14,2.0636916160583496,2.29,483,1,0,1.0
OADMET-0002180,C1CCN(C2CCNCC2)C1,1.89,2.049403707186381,2.29,1266,0,0,1.0
OADMET-0002179,O=C(O)Cn1c(=O)oc2ccccc21,3.03,2.3261590798695884,2.4937500000000004,26,0,1,2.0
OADMET-0002178,COC(=O)C1CCNCC1,2.45,2.5011370182037354,2.5691379310344833,482,2,0,1.0
OADMET-0002177,CCCCOc1ccc(C(=O)O)cc1,2.36,2.835946957270304,2.795725806451613,0,0,1,2.0
OADMET-0002176,COc1ccccc1C(=O)O,2.73,1.938021461168925,2.29,0,0,1,2.0
OADMET-0002175,O=C(O)c1cccc(-n2cnnn2)c1,3.03,2.2061609427134194,2.353951612903226,5,2,1,2.0
OADMET-0002174,CC(C)CCN,1.82,2.5439796447753906,2.5691379310344833,479,4,0,1.0
OADMET-0002173,CC(=O)Oc1ccccc1C(=O)O,2.61,2.4651500384012857,2.5691379310344833,2,3,0,1.0
OADMET-0002172,CN(C)S(=O)(=O)c1cccc(C(=O)O)c1,2.42,2.4526666005452475,2.5691379310344833,5,2,0,1.0
OADMET-0002171,O=C(O)C(c1ccccc1)c1ccccc1,3.36,3.325175126393636,3.101637931034483,19,2,0,1.0
OADMET-0002170,O=C(O)C1CCCCC1,2.19,2.0390079418818154,2.29,1265,4,0,1.0
OADMET-0002169,CC(C)(C)c1ccc(C(=O)O)cc1,2.86,2.5187178452809653,2.5691379310344833,0,0,0,1.0
OADMET-0002168,Cc1ccc(C)c(-n2cnc3cc(C(=O)O)ccc32)c1,3.0,2.997817118962606,2.811071428571428,462,1,1,2.0
OADMET-0002167,O=C(O)COc1ccc2ccccc2c1,3.11,3.058663288752238,2.9914062500000007,3,4,1,2.0
OADMET-0002166,N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1,2.22,2.4630789756774902,2.5691379310344833,456,3,0,1.0
OADMET-0002165,CN1CCN(Cc2ccc(N)cc2C(F)(F)F)CC1,2.92,2.309664487838745,2.4937500000000004,27,4,0,1.0
OADMET-0002164,COc1ccc(CCCC(=O)O)cc1,2.82,2.8343633015950522,2.795725806451613,0,0,1,2.0
OADMET-0002163,O=C(O)c1cc(Cl)cc(Cl)c1O,2.99,2.389056921005249,2.4937500000000004,1,2,1,2.0
OADMET-0002162,Nc1ncc([N+](=O)[O-])s1,1.79,2.113318085670471,2.31875,1264,3,0,1.0
OADMET-0002161,Cc1cccc(C)c1N,2.57,2.5176006158192954,2.5691379310344833,476,2,0,1.0
OADMET-0002160,NCCN1CCOCC1,1.82,2.7547877629597983,2.795725806451613,86,3,0,1.0
OADMET-0002159,CCN(CC)CC(=O)O,1.99,2.3997828165690103,2.4937500000000004,1263,1,0,1.0
OADMET-0002158,CC(C)(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1,3.27,3.0889700253804526,2.9914062500000007,235,0,0,1.0
OADMET-0002157,O=C(O)c1cc(Cl)cc(Cl)c1,2.17,2.653630018234253,2.7054255319148934,6,4,1,2.0
OADMET-0002156,O=C(O)c1ccccc1Cl,2.36,2.492547591527303,2.5691379310344833,2,3,1,2.0
OADMET-0002155,O=C(O)c1sc2ccccc2c1Cl,3.02,2.638871431350708,2.7054255319148934,84,0,0,1.0
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,3.47,2.6589489777882895,2.7054255319148934,1262,0,0,1.0
OADMET-0002153,CN1CCNCC1,1.8,2.704416513442993,2.7054255319148934,1261,4,0,1.0
OADMET-0002152,CCOC(=O)N1CCNCC1,2.85,2.311137835184733,2.4937500000000004,1260,3,0,1.0
OADMET-0002151,O=C(O)c1cc(-c2ccccc2)on1,2.77,2.348991552988688,2.4937500000000004,17,0,0,1.0
OADMET-0002150,O=C(O)c1ccc(Cl)c(Cl)c1,1.94,2.7955946922302246,2.795725806451613,5,2,1,2.0
OADMET-0002149,O=C(O)c1cncc(Br)c1,1.98,2.5589280923207602,2.5691379310344833,234,1,1,2.0
OADMET-0002148,O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1,2.78,1.9819804827372234,2.29,6,4,0,1.0
OADMET-0002147,O=C(O)c1cc(-c2ccco2)on1,3.19,2.279712518056234,2.46,17,0,1,2.0
OADMET-0002146,N#Cc1cccc(C(=O)O)c1,1.87,2.012330969174703,2.29,5,2,1,2.0
OADMET-0002145,N#CCC(=O)O,2.02,1.4157245953877766,1.9533333333333334,1259,4,0,1.0
OADMET-0002144,O=C(O)COc1cccc2ccccc12,3.42,3.053452173868815,2.9914062500000007,35,0,1,2.0
OADMET-0002143,O=C(O)c1ccc(Cl)cc1,3.01,2.6520280043284097,2.7054255319148934,0,0,1,2.0
OADMET-0002142,O=C(O)c1ccc(C(F)(F)F)cc1,2.15,2.7553560733795166,2.795725806451613,0,0,1,2.0
OADMET-0002141,CC1CN(c2ccc(N)cn2)CC(C)O1,2.83,1.8624755144119263,2.2079999999999997,1258,0,0,1.0
OADMET-0002140,Nc1nnc(C2CC2)s1,2.52,2.5738511880238852,2.5691379310344833,1257,1,0,1.0
OADMET-0002139,Cc1nc2c([nH]1)-c1ccccc1NCC2,2.96,3.5044407844543457,3.4971951219512194,1256,0,0,1.0
OADMET-0002138,Nc1cccc([N+](=O)[O-])c1,1.96,2.375714063644409,2.4937500000000004,34,3,1,2.0
OADMET-0002137,Nc1ccccc1,3.22,2.1165854136149087,2.31875,54,3,1,2.0
OADMET-0002136,Cc1c(N)cccc1[N+](=O)[O-],1.83,2.755683104197184,2.795725806451613,481,1,1,2.0
OADMET-0002135,Cc1ccc(C)c(N2CCNCC2)c1,3.41,2.9817539056142173,2.811071428571428,52,3,1,2.0
OADMET-0002134,CCNCc1ccncc1,2.85,2.1741531689961753,2.353951612903226,51,2,0,1.0
OADMET-0002133,c1ccc(C(c2ccccc2)N2CCNCC2)cc1,3.95,3.827242612838745,3.916360294117648,221,1,1,2.0
OADMET-0002132,O=C(CN1CCNCC1)N1CCOCC1,2.95,2.3663762410481772,2.4937500000000004,49,0,0,1.0
OADMET-0002131,c1ccc(CC2CCNCC2)cc1,3.1,2.8663233121236167,2.795725806451613,9,2,0,1.0
OADMET-0002130,Nc1ccc(Cl)c(C(F)(F)F)c1,2.81,2.7889591058095298,2.795725806451613,27,4,0,1.0
OADMET-0002129,Nc1cc(C(F)(F)F)ccc1Cl,2.45,3.5248034795125327,3.4971951219512194,27,4,0,1.0
OADMET-0002128,CNc1ccc(Cl)cc1,2.87,2.010687510172526,2.29,1255,1,1,2.0
OADMET-0002127,Nc1c(-c2cccs2)nc2ccccn12,3.92,3.6281893253326416,3.571791044776119,459,4,0,1.0
OADMET-0002126,c1ccc2c(c1)CCc1ccccc1N2,3.22,4.561606407165527,4.682475247524752,1254,2,0,1.0
OADMET-0002125,O=C(c1ccco1)N1CCNCC1,2.16,2.2902679443359375,2.46,53,1,1,2.0
OADMET-0002124,Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,3.59,5.787211259206136,5.284131355932205,77,0,0,1.0
OADMET-0002123,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1,3.56,3.720514456431071,3.8408219178082192,480,0,0,1.0
OADMET-0002122,Cc1[nH]c2ccccc2c1CCN,4.15,3.6078089078267417,3.571791044776119,222,1,1,2.0
OADMET-0002121,Nc1cccc(C(F)(F)F)c1,2.91,3.0214497248331704,2.9914062500000007,27,4,1,2.0
OADMET-0002120,NCc1ccccc1CN1CCCC1,1.95,2.055668354034424,2.29,228,0,0,1.0
OADMET-0002119,CC(C)N(CCN)C(C)C,2.73,1.7608649333318074,2.1492857142857145,479,4,0,1.0
OADMET-0002118,Nc1c(Cl)cncc1Cl,1.77,2.996046781539917,2.811071428571428,1253,3,0,1.0
OADMET-0002117,NCCCN1CCOCC1,2.4,2.6444170475006104,2.7054255319148934,86,3,0,1.0
OADMET-0002116,Nc1nc2ccccc2s1,3.11,3.2833759784698486,3.101637931034483,34,3,1,2.0
OADMET-0002115,Nc1cc(Cl)ccc1O,3.65,2.1622193654378257,2.353951612903226,233,3,1,2.0
OADMET-0002114,Nc1ccc([N+](=O)[O-])cn1,2.53,2.3470801512400308,2.4937500000000004,232,2,0,1.0
OADMET-0002113,Nc1noc2ccccc12,3.0,3.145848353703817,3.0979268292682924,1252,2,0,1.0
OADMET-0002112,Nc1ccc(C(F)(F)F)cc1,2.97,1.6712535619735718,2.1492857142857145,27,4,1,2.0
OADMET-0002111,Nc1ccc([N+](=O)[O-])cc1Cl,2.97,2.284696181615194,2.46,34,3,1,2.0
OADMET-0002110,Nc1ccc(Br)cc1,2.0,2.4963392416636148,2.5691379310344833,54,3,1,2.0
OADMET-0002109,COc1ccc(N)cc1,2.53,2.3328009446461997,2.4937500000000004,0,0,1,2.0
OADMET-0002108,NCCS(=O)(=O)O,2.515,2.13387930393219,2.353951612903226,1251,4,0,1.0
OADMET-0002107,OC1CCCNc2ccc(Cl)cc21,2.6,4.11251433690389,4.164821428571428,1250,0,0,1.0
OADMET-0002106,NCc1ccccn1,2.02,2.6137709617614746,2.7054255319148934,478,3,0,1.0
OADMET-0002105,CN1CCN(c2ccc(N)cc2)CC1,1.86,2.242438872655233,2.353951612903226,241,4,1,2.0
OADMET-0002104,NCCc1c[nH]c2ccccc12,2.81,3.0902459621429443,2.9914062500000007,14,1,1,2.0
OADMET-0002103,C1COCCN1,3.18,2.599414825439453,2.7054255319148934,1249,4,1,2.0
OADMET-0002102,CC1CCNCC1,2.82,2.6245429515838623,2.7054255319148934,1248,0,0,1.0
OADMET-0002101,Clc1ccc2c(N3CCNCC3)ccnc2c1,3.26,2.4735320409139,2.5691379310344833,460,4,1,2.0
OADMET-0002100,O=C(Nc1ccc(Cl)cc1)C1CCCNC1,3.01,3.7002222537994385,3.6602857142857137,1247,1,0,1.0
OADMET-0002099,Oc1ccccc1N1CCNCC1,1.98,2.817003091176351,2.795725806451613,52,3,1,2.0
OADMET-0002098,NC1CCCCC1,2.05,2.13574755191803,2.353951612903226,230,1,0,1.0
OADMET-0002097,NCc1ccc(Cl)cc1,2.67,2.7107078234354653,2.7054255319148934,51,2,0,1.0
OADMET-0002096,NCc1cccs1,2.51,1.9931832949320476,2.29,1246,2,0,1.0
OADMET-0002095,NCc1ccncc1,2.85,2.117522875467936,2.31875,51,2,0,1.0
OADMET-0002094,NC1CCCC1,1.93,2.167592684427897,2.353951612903226,230,1,0,1.0
OADMET-0002093,O=C(c1cccs1)N1CCNCC1,2.45,2.136454979578654,2.353951612903226,53,1,1,2.0
OADMET-0002092,C1CCC2(CC1)NCCO2,1.98,2.7762933572133384,2.795725806451613,1245,1,1,2.0
OADMET-0002091,Cc1ccc(Oc2ccc(CN)cc2)cc1,2.83,2.126955429712931,2.31875,231,1,0,1.0
OADMET-0002090,C[C@@H]1CCNC[C@@H]1N(C)c1ncnc2[nH]ccc12,1.91,2.205846071243286,2.353951612903226,461,2,0,1.0
OADMET-0002089,CNCc1ccco1,1.95,2.120084563891093,2.31875,1244,0,0,1.0
OADMET-0002088,COc1ccc(CN2CCNCC2)cc1,2.08,3.10837451616923,2.9914062500000007,81,3,0,1.0
OADMET-0002087,NC1CCCCCC1,2.69,1.9484511216481526,2.29,230,1,0,1.0
OADMET-0002086,Nc1ccc(F)cc1F,1.85,2.4976186752319336,2.5691379310344833,1243,4,1,2.0
OADMET-0002085,Nc1cccc(Cl)c1,2.71,2.5540528297424316,2.5691379310344833,54,3,0,1.0
OADMET-0002084,Nc1ccc(-c2cccnc2)cc1,1.84,2.7272202173868814,2.7054255319148934,229,0,1,2.0
OADMET-0002083,CCn1c2ccccc2c2cc(N)ccc21,4.28,4.256666660308838,4.355306748466257,121,0,0,1.0
OADMET-0002082,NCc1ccccc1Cl,2.64,2.1693302392959595,2.353951612903226,228,0,0,1.0
OADMET-0002081,COc1ccc(N)c(OC)c1,3.02,2.900867223739624,2.795725806451613,83,4,0,1.0
OADMET-0002080,COc1ccc(C2(CN)CCOCC2)cc1,3.32,2.3678577740987143,2.4937500000000004,477,0,0,1.0
OADMET-0002079,Nc1ccc(O)cc1,2.07,2.257728179295858,2.353951612903226,54,3,1,2.0
OADMET-0002078,Nc1ccc(Cl)cc1C(F)(F)F,1.91,2.706038157145182,2.7054255319148934,27,4,1,2.0
OADMET-0002077,Nc1nc2ccc([N+](=O)[O-])cc2s1,2.06,2.473081429799398,2.5691379310344833,34,3,1,2.0
OADMET-0002076,Cc1ccnc(N)c1,2.9,2.9041907787323,2.795725806451613,1242,1,0,1.0
OADMET-0002075,Nc1nnc(-c2ccncc2)s1,2.41,2.3952368100484214,2.4937500000000004,1241,1,0,1.0
OADMET-0002074,Cc1cc(C)c(N)c(C)c1,1.82,2.614914337793986,2.7054255319148934,476,2,0,1.0
OADMET-0002073,Nc1ccccc1-c1ccc(Cl)cc1,1.94,2.6004719734191895,2.7054255319148934,475,4,0,1.0
OADMET-0002072,Nc1ccccc1N1CCCC1,2.09,3.998683214187622,4.031000000000001,241,4,0,1.0
OADMET-0002071,Fc1cccc(CN2CCNCC2)c1,2.72,2.9537479877471924,2.811071428571428,81,3,1,2.0
OADMET-0002070,O=[N+]([O-])c1ccc(N2CCNCC2)cc1,2.92,2.157283345858256,2.353951612903226,227,1,0,1.0
OADMET-0002069,Cc1cc(Br)ccc1N,2.88,2.459826866785685,2.5691379310344833,474,3,1,2.0
OADMET-0002068,Nc1ccccc1-c1ccccc1,1.87,1.844069242477417,2.1492857142857145,54,3,1,2.0
OADMET-0002067,OCCNCCO,2.6,2.2403297424316406,2.353951612903226,1240,0,0,1.0
OADMET-0002066,CCOC(=O)c1cccc(N)c1,2.69,2.7902892430623374,2.795725806451613,124,1,0,1.0
OADMET-0002065,Nc1ccc(Cl)c(Cl)c1,2.39,1.9294825394948323,2.29,27,4,1,2.0
OADMET-0002064,NCCc1ccccc1,2.12,2.5504072507222495,2.5691379310344833,18,4,0,1.0
OADMET-0002063,COc1cc(N)cc(OC)c1,3.96,3.3690590063730874,3.4,83,4,1,2.0
OADMET-0002062,Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,2.44,3.0513935883839927,2.9914062500000007,27,4,0,1.0
OADMET-0002061,NC1CCN(Cc2ccccc2)CC1,1.98,2.4963884353637695,2.5691379310344833,25,2,0,1.0
OADMET-0002060,COc1cc(CN)ccc1O,2.49,2.3027596473693848,2.4937500000000004,82,4,1,2.0
OADMET-0002059,Nc1cc(-c2ccccc2)nn1-c1ccccc1,4.08,4.6397403081258135,4.776467889908257,473,2,0,1.0
OADMET-0002058,CC[C@H](N)c1ccccc1,2.13,1.9488897323608398,2.29,19,2,0,1.0
OADMET-0002057,C1CCCNCCC1,1.97,2.4514017899831138,2.5691379310344833,472,1,0,1.0
OADMET-0002056,c1cc2c(cc1CN1CCNCC1)OCO2,2.82,2.822389602661133,2.795725806451613,81,3,0,1.0
OADMET-0002055,c1ccc(N2CCNCC2)nc1,1.94,2.8597123622894287,2.795725806451613,52,3,0,1.0
OADMET-0002054,c1cnc(N2CCNCC2)nc1,1.83,3.5185962518056235,3.4971951219512194,52,3,0,1.0
OADMET-0002053,Fc1ccccc1N1CCNCC1,2.49,2.6062990029652915,2.7054255319148934,24,3,1,2.0
OADMET-0002052,C1CCCNCC1,2.49,2.465134938557943,2.5691379310344833,472,1,0,1.0
OADMET-0002051,CCN(CC)CCN,2.01,2.0141199429829917,2.29,1239,4,0,1.0
OADMET-0002050,CC(C)(C)c1ccc(CN)cc1,1.88,3.5996107260386148,3.571791044776119,51,2,0,1.0
OADMET-0002049,NCCO,2.86,2.605940580368042,2.7054255319148934,1238,0,0,1.0
OADMET-0002048,CN(C)C1(CN)CCCC1,2.01,2.4922589461008706,2.5691379310344833,1237,1,0,1.0
OADMET-0002047,C#CC(C)(C)N,2.01,2.1221835613250732,2.31875,1236,2,0,1.0
OADMET-0002046,NCC1CCCO1,1.92,2.056264797846476,2.29,1235,3,0,1.0
OADMET-0002045,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl,4.51,4.489231586456299,4.59815,471,0,0,1.0
OADMET-0002044,Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1,3.73,3.3880387941996255,3.4971951219512194,470,1,1,2.0
OADMET-0002043,Cc1cc(Br)ccc1NC(=O)CCSc1ccccc1,4.46,4.671430269877116,4.817948717948719,469,0,1,2.0
OADMET-0002042,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc2C1,5.61,5.040988763173421,4.9999852507374625,29,0,1,2.0
OADMET-0002041,CCC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1,5.03,5.3910651206970215,5.234230769230769,19,2,1,2.0
OADMET-0002040,O=C(c1cccs1)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1,3.55,4.605757713317871,4.776467889908257,56,0,1,2.0
OADMET-0002039,O=C(c1cc(-c2ccc(Cl)cc2Cl)on1)N1CCN(C(=O)c2ccco2)CC1,3.04,3.5403075218200684,3.5503846153846155,53,1,0,1.0
OADMET-0002038,COc1ccc(C(=O)NCCCN2CCOCC2)cc1OC,2.0,2.9218504428863525,2.795725806451613,16,1,1,2.0
OADMET-0002037,O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1,2.98,3.4736691315968833,3.4971951219512194,53,1,1,2.0
OADMET-0002036,CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CC1,4.09,3.588773488998413,3.571791044776119,131,2,1,2.0
OADMET-0002035,CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1,4.95,5.37099822362264,5.2117424242424235,226,4,1,2.0
OADMET-0002034,O=C(Cn1ccc([N+](=O)[O-])n1)N1CCc2ccccc2C1,4.17,3.517604351043701,3.4971951219512194,468,4,0,1.0
OADMET-0002033,CCOc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,3.88,4.11644967397054,4.164821428571428,130,2,1,2.0
OADMET-0002032,COc1ccc(CCNC(=O)Cn2c(=O)oc3ccccc32)cc1OC,3.89,3.8245105743408203,3.916360294117648,26,0,0,1.0
OADMET-0002031,CN1CCN(C(=O)C2CCCCC2)CC1,1.96,2.3967843850453696,2.4937500000000004,1234,2,0,1.0
OADMET-0002030,O=C(COc1ccc(Br)cc1)N1CCC(c2ccccc2)C1,4.57,4.513429323832194,4.59815,80,2,1,2.0
OADMET-0002029,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccs1,4.37,4.6872665087382,4.817948717948719,29,0,1,2.0
OADMET-0002028,Cc1ccc(SC(C)C(=O)NCc2cccnc2)cc1,3.95,3.823450803756714,3.916360294117648,225,3,1,2.0
OADMET-0002027,O=C(CCc1ccccc1)NCc1cccnc1,2.83,3.9067698319753013,3.916360294117648,18,4,1,2.0
OADMET-0002026,O=C(c1ccccc1Cl)N1CCC(Cc2ccccc2)CC1,1.95,4.123026529947917,4.164821428571428,2,3,1,2.0
OADMET-0002025,O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)cc1,3.75,4.385186990102132,4.477399999999999,224,3,1,2.0
OADMET-0002024,O=C(NCc1cccnc1)c1sc2cc(Cl)ccc2c1Cl,3.1,4.702311833699544,4.817948717948719,33,4,1,2.0
OADMET-0002023,O=C(NCc1ccc(Cl)cc1)c1cnccn1,2.7,2.9327351252237954,2.811071428571428,15,3,1,2.0
OADMET-0002022,COc1cc(C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC,3.85,4.032271067301433,4.092280701754386,223,4,0,1.0
OADMET-0002021,COc1cccc(OCC(=O)NC2CCCCC2)c1,4.41,4.526617368062337,4.59815,25,2,0,1.0
OADMET-0002020,COc1ccc(CCCC(=O)NC2CCCCC2)cc1,3.82,4.4871400197347,4.59815,129,1,1,2.0
OADMET-0002019,COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1,4.49,4.726418336232503,4.817948717948719,242,0,1,2.0
OADMET-0002018,CCCCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1,2.36,3.959565003712972,4.0285714285714285,23,3,1,2.0
OADMET-0002017,Cc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C,4.21,4.239883740743001,4.355306748466257,128,0,1,2.0
OADMET-0002016,COc1ccc(C(=O)N2CCOCC2)cc1Br,2.99,3.838390827178955,3.916360294117648,16,1,1,2.0
OADMET-0002015,COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1,4.12,4.93776257832845,4.888,243,4,1,2.0
OADMET-0002014,O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1,5.29,3.830237865447998,3.916360294117648,467,4,1,2.0
OADMET-0002013,O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1,4.28,4.598263740539551,4.776467889908257,466,3,1,2.0
OADMET-0002012,Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1,4.33,4.587290445963542,4.7175,50,2,0,1.0
OADMET-0002011,COc1ccc(C2(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)CCOCC2)cc1,4.46,4.114663283030192,4.164821428571428,28,2,0,1.0
OADMET-0002010,O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-],4.87,3.998094161351522,4.031000000000001,15,3,0,1.0
OADMET-0002009,CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1,3.11,3.942291736602783,3.916360294117648,465,3,1,2.0
OADMET-0002008,O=C(NCCCN1CCOCC1)C1COc2ccccc2O1,2.27,3.2733864784240723,3.0979268292682924,16,1,0,1.0
OADMET-0002007,CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,4.83,3.3603078524271646,3.4,464,2,1,2.0
OADMET-0002006,CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1,5.19,4.407365640004476,4.543097826086957,15,3,1,2.0
OADMET-0002005,CC(CC(=O)NC1CCCC1)c1ccccc1,4.24,4.914343039194743,4.860652173913044,127,4,1,2.0
OADMET-0002004,O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1,2.3,4.2662034034729,4.355306748466257,124,1,1,2.0
OADMET-0002003,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1,2.34,3.318958361943563,3.101637931034483,57,0,1,2.0
OADMET-0002002,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1,2.58,3.2122536500295005,3.0979268292682924,16,1,1,2.0
OADMET-0002001,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,3.1100000000000003,3.706652561823527,3.6602857142857137,463,0,0,1.0
OADMET-0002000,O=C(NCCO)c1ccc(Cl)cc1,1.92,2.4450696309407554,2.5691379310344833,15,3,1,2.0
OADMET-0001999,Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl,3.82,3.0014265378316245,2.9914062500000007,6,4,1,2.0
OADMET-0001998,COc1ccccc1CNC(=O)c1cccc(N(C)C)c1,4.87,5.292074203491211,5.067031249999999,7,3,0,1.0
OADMET-0001997,COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1,3.61,4.227254231770833,4.355306748466257,15,3,1,2.0
OADMET-0001996,O=C(NCCCc1ccccc1)c1cccs1,3.0,3.8983481725056968,3.916360294117648,56,0,1,2.0
OADMET-0001995,O=C(c1sc2ccccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1,4.32,4.39216963450114,4.477399999999999,50,2,1,2.0
OADMET-0001994,O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1,3.47,4.011643886566162,4.043714285714285,48,1,1,2.0
OADMET-0001993,Cc1cccc(C)c1NC(=O)C1CCCCN1C,2.98,4.334830284118652,4.47620253164557,10,1,1,2.0
OADMET-0001992,O=C(NCC1CCCO1)c1cccc(F)c1,2.95,4.54296334584554,4.682475247524752,320,1,1,2.0
OADMET-0001991,Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1,4.45,4.618015130360921,4.776467889908257,222,1,1,2.0
OADMET-0001990,O=C(COc1cccc2ccccc12)N1c2ccccc2CCc2ccccc21,5.29,5.539886315663655,5.284131355932205,35,0,0,1.0
OADMET-0001989,Cc1ccc(C)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1,4.4,4.682638009389241,4.817948717948719,462,1,0,1.0
OADMET-0001988,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,1.77,2.4388914903004966,2.5691379310344833,461,2,0,1.0
OADMET-0001987,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,2.45,3.896419366200765,3.916360294117648,10,1,0,1.0
OADMET-0001986,O=C(Nc1nnc(C2CC2)s1)c1ccncc1,3.85,2.886533260345459,2.795725806451613,1233,0,0,1.0
OADMET-0001985,CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C,3.58,3.9828077952067056,4.031000000000001,31,3,1,2.0
OADMET-0001984,O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1,3.41,3.7740533351898193,3.8408219178082192,14,1,0,1.0
OADMET-0001983,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCc2ccccc2C1,4.91,5.092539628346761,4.9999852507374625,78,1,1,2.0
OADMET-0001982,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,4.745,4.523646354675293,4.59815,10,1,1,2.0
OADMET-0001981,O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1,1.81,3.0589070320129395,2.9914062500000007,25,2,1,2.0
OADMET-0001980,O=C(CSc1nc2ccccc2s1)Nc1nccs1,4.06,4.8140339851379395,4.821480836236933,120,4,1,2.0
OADMET-0001979,O=C(c1ccc(Cl)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1,3.61,3.7086751461029053,3.6602857142857137,460,4,1,2.0
OADMET-0001978,O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)cc1,4.03,4.226828098297119,4.355306748466257,459,4,0,1.0
OADMET-0001977,COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12,5.42,4.430008252461751,4.543097826086957,38,0,1,2.0
OADMET-0001976,O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,4.58,4.913686275482178,4.860652173913044,221,1,0,1.0
OADMET-0001975,COc1ccccc1CNC(=O)c1ccccc1OC,4.78,5.043100516001384,4.9999852507374625,7,3,0,1.0
OADMET-0001974,Cc1cccc(C)c1NC(=O)CN1CCCC1,3.67,4.3904493649800616,4.477399999999999,10,1,1,2.0
OADMET-0001973,COc1cc(C(=O)NCC2(N(C)C)CCCC2)cc(OC)c1OCc1ccccc1,5.19,4.371204376220703,4.477399999999999,37,4,1,2.0
OADMET-0001972,Cc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.81,3.6209143797556558,3.571791044776119,458,0,0,1.0
OADMET-0001971,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1,2.84,2.6073310375213623,2.7054255319148934,123,4,1,2.0
OADMET-0001970,O=C(c1cc(-c2ccco2)on1)N1CCOCC1,2.22,2.3523757457733154,2.4937500000000004,17,0,1,2.0
OADMET-0001969,O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1,4.27,4.375344912211101,4.477399999999999,457,1,0,1.0
OADMET-0001968,O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,4.48,4.594985326131185,4.776467889908257,16,1,0,1.0
OADMET-0001967,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,2.18,2.0297539631525674,2.29,456,3,0,1.0
OADMET-0001966,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,4.59,4.435734589894612,4.543097826086957,455,4,1,2.0
OADMET-0001965,O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1,2.08,3.826709191004435,3.916360294117648,50,2,1,2.0
OADMET-0001964,CCc1nc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2nc1CC,4.71,3.843216896057129,3.916360294117648,220,0,0,1.0
OADMET-0001963,Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)CC2)c1,4.39,4.282144546508789,4.355306748466257,220,0,0,1.0
OADMET-0001962,Cc1cccc(C)c1NC(=O)CN1CCCC1=O,1.84,5.174830595652263,4.9999852507374625,10,1,1,2.0
OADMET-0001961,CCOC(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1,3.92,4.287460009256999,4.355306748466257,454,2,0,1.0
OADMET-0001960,N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1,4.84,5.0415239334106445,4.9999852507374625,126,2,0,1.0
OADMET-0001958,O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1,1.91,3.5420634746551514,3.5503846153846155,234,1,1,2.0
OADMET-0001957,CCCCCCCCCCCCCCCC(=O)NCCO,1.89,2.2825666268666587,2.46,125,0,0,1.0
OADMET-0001956,O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C1CCCCC1,1.86,4.630970319112142,4.776467889908257,34,3,1,2.0
OADMET-0001955,CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1,4.57,4.536287784576416,4.682475247524752,124,1,0,1.0
OADMET-0001954,CCN(CC)CCNC(=O)COc1ccc(OC)cc1,2.28,2.428048610687256,2.5691379310344833,123,4,1,2.0
OADMET-0001953,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,4.07,3.7490264574686685,3.8408219178082192,82,4,0,1.0
OADMET-0001951,CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1,5.95,5.548820495605469,5.284131355932205,453,2,0,1.0
OADMET-0001950,O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1,5.66,5.038846969604492,4.9999852507374625,126,2,0,1.0
OADMET-0001949,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,3.47,4.029306093851726,4.043714285714285,1,2,1,2.0
OADMET-0001948,COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,4.48,4.258737564086914,4.355306748466257,49,0,0,1.0
OADMET-0001947,O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1,3.6,3.3538924853006997,3.101637931034483,25,2,1,2.0
OADMET-0001946,Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1,4.64,4.589333534240723,4.758571428571429,452,3,0,1.0
OADMET-0001945,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC,1.81,3.0896039803822837,2.9914062500000007,16,1,1,2.0
OADMET-0001944,CCN(CC)CC(=O)Nc1c(C)cccc1C,3.13,4.611271699269612,4.776467889908257,10,1,1,2.0
OADMET-0001943,Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(Cl)cc1,5.52,5.226624329884847,5.026367187500001,29,0,1,2.0
OADMET-0001942,COC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1,2.82,3.9506062666575112,3.916360294117648,20,2,1,2.0
OADMET-0001941,CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,3.0,4.121917247772217,4.164821428571428,219,2,1,2.0
OADMET-0001940,O=C(NCCCN1CCOCC1)c1cc(-c2ccc(O)cc2)on1,2.27,2.641582727432251,2.7054255319148934,16,1,0,1.0
OADMET-0001938,Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1,2.19,3.9999006589253745,4.031000000000001,9,2,1,2.0
OADMET-0001937,Cc1c(NC(=O)C(Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-],5.25,5.2390774091084795,5.026367187500001,451,2,0,1.0
OADMET-0001936,Cc1cc(Cl)ccc1OCC(=O)NCc1ccncc1,2.93,3.8255430857340493,3.916360294117648,218,4,1,2.0
OADMET-0001935,COc1ccc(CCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC,4.99,4.700682957967122,4.817948717948719,217,2,0,1.0
OADMET-0001934,O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1,5.29,4.6435872713724775,4.817948717948719,79,1,1,2.0
OADMET-0001933,NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1,3.63,4.194476286570231,4.355306748466257,58,2,1,2.0
OADMET-0001932,O=C(CCSc1ccc(Cl)cc1)N1CCCCCC1,5.37,5.081684907277425,4.9999852507374625,216,0,1,2.0
OADMET-0001931,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1,1.97,3.705660422643026,3.6602857142857137,24,3,1,2.0
OADMET-0001930,CN1CCN(C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)CC1,3.63,3.200103680292765,3.0979268292682924,235,0,1,2.0
OADMET-0001928,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,5.62,4.67656135559082,4.817948717948719,36,0,0,1.0
OADMET-0001927,O=C(NC1CCCCCC1)c1cccs1,3.89,4.0713527997334795,4.092280701754386,56,0,1,2.0
OADMET-0001926,O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCCCCC1,5.23,4.988775412241618,4.998154761904762,78,1,0,1.0
OADMET-0001925,COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1,4.82,4.594768524169922,4.776467889908257,23,3,1,2.0
OADMET-0001924,O=C(c1c(F)cccc1F)N1CCN(c2ccccc2F)CC1,3.9,3.9176247119903564,3.916360294117648,24,3,1,2.0
OADMET-0001923,O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1,3.4,5.792984167734782,5.284131355932205,77,0,1,2.0
OADMET-0001922,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,4.98,4.1977033615112305,4.355306748466257,450,1,0,1.0
OADMET-0001921,COc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1,1.84,2.089726130167643,2.31875,49,0,1,2.0
OADMET-0001920,Cc1ccccc1C(=O)N1CCc2ccccc2C1,1.78,4.78770097096761,4.821480836236933,9,2,1,2.0
OADMET-0001919,O=C(Nc1ccccc1)c1ccccc1O,1.88,3.875413497289022,3.916360294117648,22,1,1,2.0
OADMET-0001918,O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O,4.73,4.877066930135091,4.821480836236933,22,1,1,2.0
OADMET-0001917,CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl,4.16,4.408006191253662,4.543097826086957,15,3,1,2.0
OADMET-0001916,COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OC,4.95,4.560459136962891,4.682475247524752,32,4,1,2.0
OADMET-0001914,O=C(CS)Nc1ccccc1,3.88,2.6103668212890625,2.7054255319148934,215,3,0,1.0
OADMET-0001913,O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl,4.875,4.467150052388509,4.5774358974358975,449,1,0,1.0
OADMET-0001912,CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,3.0,2.7433700561523438,2.795725806451613,214,2,1,2.0
OADMET-0001911,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,4.18,3.901867945988973,3.916360294117648,214,2,1,2.0
OADMET-0001910,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,2.42,3.412503719329834,3.4971951219512194,122,2,0,1.0
OADMET-0001909,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,2.415,3.359619458516439,3.101637931034483,22,1,1,2.0
OADMET-0001908,COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1,4.05,3.826725482940674,3.916360294117648,23,3,1,2.0
OADMET-0001906,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1,4.25,4.3910338083903,4.477399999999999,213,3,0,1.0
OADMET-0001905,O=C(CN1CCOCC1)Nc1nc2ccc([N+](=O)[O-])cc2s1,2.97,2.973464250564575,2.811071428571428,34,3,1,2.0
OADMET-0001904,Cc1cc(C)cc(C(=O)NCc2ccc3c(c2)OCO3)c1,4.84,4.44688097635905,4.5774358974358975,55,4,0,1.0
OADMET-0001903,O=C(Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl,5.16,5.388570149739583,5.234230769230769,33,4,1,2.0
OADMET-0001902,COc1ccc2cc(C(=O)N3CCc4ccccc4C3)[nH]c2c1,4.7,4.587891260782878,4.7175,31,3,0,1.0
OADMET-0001901,COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)cc1,4.06,4.801419576009114,4.821480836236933,448,0,0,1.0
OADMET-0001900,O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccco1,4.81,3.5874953269958496,3.571791044776119,28,2,1,2.0
OADMET-0001899,CCn1c2ccccc2c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21,4.95,4.599538485209147,4.776467889908257,121,0,0,1.0
OADMET-0001898,O=C(c1cc2cc(F)ccc2[nH]1)N1CCc2ccccc2C1,5.13,4.5327558517456055,4.682475247524752,31,3,0,1.0
OADMET-0001897,Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1C,3.48,4.621283849080403,4.776467889908257,76,2,1,2.0
OADMET-0001895,Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21,3.94,4.040196498235066,4.092280701754386,447,4,0,1.0
OADMET-0001894,COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1,5.1,5.08829387029012,4.9999852507374625,1,2,1,2.0
OADMET-0001893,O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1,1.94,4.764991919199626,4.817948717948719,212,3,1,2.0
OADMET-0001892,O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1,4.45,4.64965279897054,4.817948717948719,28,2,1,2.0
OADMET-0001890,CN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1,3.37,2.8869256178538003,2.795725806451613,84,0,0,1.0
OADMET-0001888,COc1ccc(CCNC(=O)c2cnc3scc(C)n3c2=O)cc1OC,4.13,3.7226282755533853,3.8408219178082192,26,0,0,1.0
OADMET-0001887,COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1,4.13,4.740180015563965,4.817948717948719,23,3,1,2.0
OADMET-0001885,O=C(NCCCn1ccnc1)c1cc(-c2cccs2)on1,3.1,2.9253910382588706,2.811071428571428,47,0,0,1.0
OADMET-0001884,O=C(NC1CCCC1)c1cc2c(ccc3ccccc32)o1,4.2,4.925141016642253,4.888,46,3,0,1.0
OADMET-0001883,O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1,4.75,4.443854649861653,4.5774358974358975,79,1,0,1.0
OADMET-0001882,O=C(Nc1ccccc1)c1cc(Cl)ccc1O,1.81,3.88407564163208,3.916360294117648,22,1,1,2.0
OADMET-0001881,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2O)CC1,4.6,4.241573174794515,4.355306748466257,24,3,0,1.0
OADMET-0001880,O=C(NCc1ccccn1)c1ccc2ccccc2n1,3.86,4.4267838795979815,4.543097826086957,211,2,1,2.0
OADMET-0001879,O=C(Nc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,3.53,4.905235131581624,4.834642319277108,135,2,0,1.0
OADMET-0001878,O=C(CSc1nc2ccccc2s1)NCc1ccc2c(c1)OCO2,4.83,4.71286137898763,4.817948717948719,120,4,0,1.0
OADMET-0001877,Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12,4.88,4.786462942759196,4.821480836236933,76,2,1,2.0
OADMET-0001876,O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1,3.1,3.2052276929219565,3.0979268292682924,48,1,1,2.0
OADMET-0001875,O=C(NCc1cccnc1)c1cnc2sccn2c1=O,1.9,2.663392702738444,2.7054255319148934,33,4,0,1.0
OADMET-0001874,Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1,4.77,4.483988126118978,4.59815,446,4,0,1.0
OADMET-0001872,C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1,3.92,4.497222900390625,4.59815,1232,2,1,2.0
OADMET-0001871,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,4.38,4.29453722635905,4.355306748466257,445,4,0,1.0
OADMET-0001870,O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,4.12,3.676480531692505,3.6602857142857137,48,1,1,2.0
OADMET-0001869,O=C(Nc1ccc(O)cc1)c1ccccc1O,2.54,2.8057560125986734,2.795725806451613,22,1,1,2.0
OADMET-0001868,O=C(C(Cl)Cl)N1CCOC12CCCCC2,2.84,2.806462605794271,2.795725806451613,1231,3,0,1.0
OADMET-0001867,COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1,3.55,4.5656232833862305,4.682475247524752,444,3,1,2.0
OADMET-0001866,COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]n2)cc1,4.54,4.629705588022868,4.776467889908257,210,4,0,1.0
OADMET-0001865,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO,2.81,2.6987632115681968,2.7054255319148934,133,1,0,1.0
OADMET-0001864,O=C(NCCCn1ccnc1)c1cc(-c2ccccc2)on1,3.49,3.5344789028167725,3.5503846153846155,47,0,0,1.0
OADMET-0001863,CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1,5.06,4.930837472279866,4.888,443,2,1,2.0
OADMET-0001862,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,3.27,3.246842940648397,3.0979268292682924,81,3,1,2.0
OADMET-0001861,O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1,2.01,2.4816009998321533,2.5691379310344833,122,2,0,1.0
OADMET-0001859,O=C(NCCc1c[nH]c2ccccc12)c1cccnc1,2.82,4.065054814020793,4.092280701754386,14,1,1,2.0
OADMET-0001858,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,1.9,3.2758729457855225,3.0979268292682924,77,0,1,2.0
OADMET-0001857,O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O,4.0,3.0082948207855225,2.9914062500000007,22,1,1,2.0
OADMET-0001828,Cc1nsc(C=O)c1C(=O)N1CCC2(CCCC2)CC1,4.3,4.09849484761556,4.164821428571428,1230,0,1,2.0
OADMET-0001827,Cc1cc(C=O)c(O)c(C(=O)N2CCCC(c3cc(C)n[nH]3)C2)c1,3.62,3.7347869078318277,3.8408219178082192,1229,1,0,1.0
OADMET-0001826,O=Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1,3.42,4.029830853144328,4.043714285714285,442,1,0,1.0
OADMET-0001825,O=CNc1cccc(NC(=O)NCCCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1,1.62,3.261719306310018,3.0979268292682924,1228,2,0,1.0
OADMET-0001824,O=Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1,2.56,3.3799334367116294,3.4971951219512194,15,3,0,1.0
OADMET-0001823,CN(C[C@]12CCC[C@H]1OCC2)c1cccc(O)c1C=O,5.23,4.749995231628418,4.817948717948719,1227,3,0,1.0
OADMET-0001822,CC(C)c1csc(CNC(=O)c2ccc(N(C)C)c(C=O)c2)n1,4.04,4.712404568990071,4.817948717948719,402,2,1,2.0
OADMET-0001821,Cc1nn(C)cc1C1CCCN1C(=O)COc1cccc(C=O)c1,4.17,3.894979238510132,3.916360294117648,209,4,1,2.0
OADMET-0001820,Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1C=O,4.45,3.83646027247111,3.916360294117648,441,0,0,1.0
OADMET-0001819,O=Cc1coc2ccc(Br)cc2c1=O,3.8,3.309460163116455,3.101637931034483,1226,4,0,1.0
OADMET-0001818,COc1ccc(OCC(=O)NCc2ccccc2OC)c(C=O)c1,4.05,4.576081434885661,4.682475247524752,7,3,1,2.0
OADMET-0001817,C=CC(=O)N1CCC(C(=O)N(Cc2cccnc2)Cc2ccccc2C)CC1,3.77,3.7784035205841064,3.8408219178082192,440,0,1,2.0
OADMET-0001816,C=CC(=O)N1CCN(C(=O)CC(O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1,3.99,3.2993737856547036,3.101637931034483,44,1,0,1.0
OADMET-0001815,C=CC(=O)N(CC)CC(=O)N(CC(=O)NC)CC(C)N1C[C@@H](C)O[C@@H](C)C1,2.81,2.596828063329061,2.7054255319148934,1225,0,0,1.0
OADMET-0001814,C=CC(=O)N(Cc1ccn(C)n1)c1ccc(C(=O)N2CCC(O)CC2)cc1,3.36,3.013986587524414,2.9914062500000007,408,2,1,2.0
OADMET-0001813,C=CC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1,4.07,2.5969823201497397,2.7054255319148934,1224,3,1,2.0
OADMET-0001812,C=CC(=O)Nc1ccc(C(=O)N(C)C2CCCc3nc(C)sc32)cc1,3.33,3.6001197497049966,3.571791044776119,118,1,1,2.0
OADMET-0001811,C=CC(=O)NCc1ccc(C(=O)N(C2CC2)C2CC(=O)NC2=O)cc1,1.7,2.5792524019877114,2.5691379310344833,12,0,1,2.0
OADMET-0001810,C=CC(=O)NC1(CNC(=O)C(C)(C)c2c(C)noc2C)CCCCCC1,4.7,4.721795241038005,4.817948717948719,1223,4,0,1.0
OADMET-0001809,C=CC(=O)N(c1ccc(C2CCOC2)cc1)C(C(=O)NC(C)(C)C)c1cccnc1,4.33,4.46608829498291,4.5774358974358975,1222,0,0,1.0
OADMET-0001808,C=CC(=O)Nc1ccc(NC(=O)C(C)n2nc(C)cc2C)c(Cl)c1,4.16,3.60186759630839,3.571791044776119,1221,1,0,1.0
OADMET-0001807,C=CC(=O)Nc1ccc(C(=O)NCc2cc(C)ccc2[N+](=O)[O-])cc1,4.63,3.47951078414917,3.4971951219512194,439,4,0,1.0
OADMET-0001806,C=CC(=O)NCc1ccccc1CC(=O)NCCc1nnc2c(=O)[nH]ccn12,1.68,2.8744561672210693,2.795725806451613,1220,2,0,1.0
OADMET-0001805,C=CC(=O)NC1(CNC(=O)[C@H]2CCCC[C@H]2c2ccccc2)CCOCC1,4.64,5.030251820882161,4.9999852507374625,438,4,1,2.0
OADMET-0001804,C=CC(=O)NC(C)C1CN(C(=O)c2cccc(Cl)c2Cl)CCO1,4.22,4.377720991770427,4.477399999999999,1219,3,0,1.0
OADMET-0001803,C=CC(=O)Nc1cccc(CC(=O)NCc2cn(C)nc2-c2cccc(F)c2)c1,4.17,4.544845104217529,4.682475247524752,73,3,0,1.0
OADMET-0001802,C=CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)c1,3.5,4.0759298006693525,4.092280701754386,1218,0,1,2.0
OADMET-0001801,C=CC(=O)Nc1ccc(C(=O)NCCCn2ccc(=O)[nH]c2=O)cc1,1.75,2.3926027615865073,2.4937500000000004,437,3,0,1.0
OADMET-0001800,C=CC(=O)N(CC)CC(=O)Nc1ccc(OC)c(C(=O)c2ccccc2)c1,4.53,3.807493289311727,3.916360294117648,197,2,0,1.0
OADMET-0001799,C=CC(=O)NCC1CCCCC1NC(=O)Cc1csc(C(C)(C)C)n1,5.22,5.097318331400554,4.9999852507374625,208,3,0,1.0
OADMET-0001798,C=CC(=O)NCc1c(Cl)cccc1N(C)Cc1cccnc1,5.25,4.378925641377767,4.477399999999999,1217,1,0,1.0
OADMET-0001797,C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2CO)cc1,3.59,4.206839879353841,4.355306748466257,436,2,0,1.0
OADMET-0001796,C=CC(=O)N1CC(CC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1,4.1,3.1851277351379395,3.0979268292682924,421,1,0,1.0
OADMET-0001795,C=CC(=O)Nc1ccc(C(=O)NCC2(C3=CCOCC3)CCC2)cc1,3.81,4.217363198598226,4.355306748466257,118,1,1,2.0
OADMET-0001794,C=CC(=O)NC(CNC(=O)c1nnc2ccccc2n1)c1ccc(C(C)C)cc1,5.37,4.721666653951009,4.817948717948719,1216,2,0,1.0
OADMET-0001793,C=CC(=O)NCC(NC(=O)C1CC=Cc2ccccc21)c1ccc2ccccc2c1,5.21,5.117200533548991,4.9999852507374625,409,3,1,2.0
OADMET-0001792,C=CC(=O)N1CCC(C(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)CC1,2.25,3.561252991358439,3.5503846153846155,4,1,0,1.0
OADMET-0001791,C=CC(=O)N1CCC(C(=O)N2CCC=C(c3cnn(C)c3)C2)CC1,1.91,1.8495428959528606,2.1492857142857145,75,3,1,2.0
OADMET-0001790,C=CC(=O)N1CCC(C(=O)Nc2ccc3c(ccn3CCC)c2)CC1,2.57,3.278769572575887,3.101637931034483,4,1,0,1.0
OADMET-0001789,C=CC(=O)N1CC(CC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)C1,1.73,3.115394035975138,2.9914062500000007,1215,2,1,2.0
OADMET-0001788,C=CC(=O)N(CC)CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1,4.67,3.3891193866729736,3.4971951219512194,197,2,0,1.0
OADMET-0001787,C=CC(=O)N(C)c1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)O)cc1,3.96,3.4259797732035318,3.4971951219512194,200,0,1,2.0
OADMET-0001786,C=CC(=O)NCc1ccccc1CC(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1,4.06,3.5361239910125732,3.5503846153846155,119,0,1,2.0
OADMET-0001785,C=CC(=O)N1CCC(C(=O)NC2COc3c(F)cc(F)cc3C2)CC1,4.09,3.2444869677225747,3.0979268292682924,207,4,1,2.0
OADMET-0001784,C=CC(=O)N(C)CC(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1,3.37,3.36774214108785,3.4,13,4,1,2.0
OADMET-0001783,C=CC(=O)N(C)c1ccc(C(=O)N(C)Cc2csc(C(C)OC)n2)cc1,3.99,3.487751007080078,3.4971951219512194,200,0,0,1.0
OADMET-0001782,C=CC(=O)N1CC(C(=O)NCC(C)(O)Cn2cc(Br)cn2)C1,2.35,2.186859925587972,2.353951612903226,21,4,0,1.0
OADMET-0001781,C=CC(=O)N(C)CC(=O)NCC(c1ccc(OC(C)C)cc1)N(C)C,2.37,4.069538911183675,4.092280701754386,117,3,0,1.0
OADMET-0001780,C=CC(=O)N1CCC(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1,2.98,2.5323358376820884,2.5691379310344833,4,1,1,2.0
OADMET-0001779,C=CC(=O)NCC(=O)N[C@@H]1CC(C)(C)Oc2ccc(F)cc21,3.76,3.600281000137329,3.571791044776119,74,3,1,2.0
OADMET-0001778,C=CC(=O)N1CCC(C(=O)NCc2nnc(CC)s2)CC1,2.28,2.205400307973226,2.353951612903226,4,1,0,1.0
OADMET-0001777,C=CC(=O)Nc1ccc(CCC(=O)NCC(C)c2nc(C)cs2)cc1,4.13,4.043217102686564,4.092280701754386,368,3,0,1.0
OADMET-0001776,C=CC(=O)Nc1cccc(CC(=O)NC2CCSc3c(F)cccc32)c1,3.98,5.025134722391765,4.9999852507374625,73,3,0,1.0
OADMET-0001775,C=CC(=O)N(C)CC(=O)N1CCCC(NC(=O)c2cc3ccccc3o2)C1,3.43,3.5488088130950928,3.5503846153846155,46,3,1,2.0
OADMET-0001774,C=CC(=O)Nc1ccc(CC(=O)N2CC3(CCOCC3)CC2C)cc1,4.45,3.94353715578715,3.916360294117648,435,1,0,1.0
OADMET-0001773,C=CC(=O)N(Cc1cc2c(cc1OC)CC(C)O2)Cc1ccsc1C,5.81,4.923581600189209,4.888,1214,3,0,1.0
OADMET-0001772,C=CC(=O)N1CC(CC(=O)NC(C)COc2ccc(C)cc2)C1,2.82,2.8983853658040366,2.795725806451613,1213,4,0,1.0
OADMET-0001771,C=CC(=O)Nc1ccc(C(=O)NCCOC2(C)CCOCC2)cc1,3.87,3.36759360631307,3.4,12,0,1,2.0
OADMET-0001770,C=CC(=O)N1CCCC(C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1,1.94,3.2985684871673584,3.101637931034483,115,0,0,1.0
OADMET-0001769,C=CC(=O)Nc1ccc(C(=O)N(C)CC2(C)CCCO2)cc1,3.52,4.298402786254883,4.47620253164557,118,1,0,1.0
OADMET-0001768,C=CC(=O)Nc1ccc(C(=O)N=c2sccn2Cc2ccccc2)cc1,4.19,3.7898035844167075,3.8408219178082192,1212,0,0,1.0
OADMET-0001767,C=CC(=O)N1CCC(C(=O)N2CCCc3sc(Br)cc3C2)CC1,5.25,3.5889883836110434,3.571791044776119,75,3,1,2.0
OADMET-0001766,C=CC(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC,4.28,3.2284340063730874,3.0979268292682924,1211,3,1,2.0
OADMET-0001765,C=CC(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1,3.9,3.2910049756368003,3.101637931034483,1210,4,0,1.0
OADMET-0001764,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1,3.76,3.412513017654419,3.4971951219512194,206,1,0,1.0
OADMET-0001763,C=CC(=O)N1CCC(C(=O)NC2CCN(S(=O)(=O)CCC)CC2)CC1,1.88,2.7085280418395996,2.7054255319148934,21,4,0,1.0
OADMET-0001762,C=CC(=O)NCCC(=O)N1CCc2c(ccc(Br)c2F)C1,4.26,3.9791529178619385,4.031000000000001,8,4,1,2.0
OADMET-0001761,C=CC(=O)NCc1ccc(C(=O)NCC2(C)COc3ccccc3O2)cc1,4.1,4.258240540822347,4.355306748466257,12,0,0,1.0
OADMET-0001760,C=CC(=O)N(C)CC(=O)NC(C)(CC)c1nc2c(c(=O)[nH]1)CCCC2,3.47,3.7650893529256186,3.8408219178082192,1209,3,0,1.0
OADMET-0001759,C=CC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1,3.4,2.655099948247274,2.7054255319148934,45,0,1,2.0
OADMET-0001758,C=CC(=O)NCc1ccc(C(=O)Nc2ncc(C3(O)CCC3)s2)cc1,1.71,3.61374298731486,3.571791044776119,12,0,1,2.0
OADMET-0001757,C=CC(=O)Nc1ccc(C(=O)NC(c2ncccn2)C2CC2)cc1,3.25,3.935161272684733,3.916360294117648,1208,4,0,1.0
OADMET-0001756,C=CC(=O)N1CCC(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)CC1,2.94,2.853663682937622,2.795725806451613,205,3,0,1.0
OADMET-0001755,C=CC(=O)NCCC(=O)N1CCCC1(C)Cc1ccc(Cl)c(Cl)c1,6.37,4.909484386444092,4.860652173913044,434,4,1,2.0
OADMET-0001754,C=CC(=O)Nc1cc(NC(=O)C23CCN(C2)S(=O)(=O)C3)ccc1F,3.04,3.413093407948812,3.4971951219512194,45,0,0,1.0
OADMET-0001753,C=CC(=O)NC(C)C1CCN(C(=O)CC2COc3ccccc3O2)CC1,4.63,4.278986136118571,4.355306748466257,1207,2,0,1.0
OADMET-0001752,C=CC(=O)NC1CCN(Cc2ccc(OC)cc2OC)C1=O,3.33,3.6938257217407227,3.6602857142857137,433,0,1,2.0
OADMET-0001751,C=CC(=O)N(CCc1c(C)noc1C)Cc1cc(Cl)cs1,4.62,4.2534817059834795,4.355306748466257,1206,4,0,1.0
OADMET-0001750,C=CC(=O)N1CC(CC(=O)Nc2ccc(=O)n(Cc3cccc(Cl)c3)c2)C1,3.27,3.525254011154175,3.4971951219512194,1205,1,0,1.0
OADMET-0001749,C=CC(=O)N(C)CC(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1,1.65,2.4005788962046304,2.4937500000000004,412,3,1,2.0
OADMET-0001748,C=CC(=O)NCCc1ccc2ccn(S(=O)(=O)c3ccc(C)cc3)c2c1,4.89,5.03930679957072,4.9999852507374625,432,4,0,1.0
OADMET-0001747,C=CC(=O)NCc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1,3.91,2.1907037099202475,2.353951612903226,429,2,0,1.0
OADMET-0001746,C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1,2.6,3.26323668162028,3.0979268292682924,8,4,1,2.0
OADMET-0001745,C=CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1,3.87,3.866375287373861,3.916360294117648,204,2,1,2.0
OADMET-0001744,C=CC(=O)NCCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1,2.14,3.0961403846740723,2.9914062500000007,8,4,1,2.0
OADMET-0001743,C=CC(=O)N(C)CC(=O)N1CCOC(c2ccc(Cl)s2)C1,4.11,3.4279083410898843,3.4971951219512194,13,4,0,1.0
OADMET-0001742,C=CC(=O)N(CC)CC(=O)NCC(C)(C)C1(O)CCCOC1,2.94,2.827900250752767,2.795725806451613,1204,2,0,1.0
OADMET-0001741,C=CC(=O)N(CC)CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1,2.45,2.165935516357422,2.353951612903226,116,2,0,1.0
OADMET-0001740,C=CC(=O)N1CCC(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1,2.82,3.0505261421203613,2.9914062500000007,21,4,1,2.0
OADMET-0001739,C=CC(=O)N(C)CC(=O)N1CCN(c2cccc(Br)c2)CC1,3.59,2.7147220770517984,2.7054255319148934,13,4,1,2.0
OADMET-0001738,C=CC(=O)N(C)CC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1,5.09,4.499306996663411,4.59815,1203,1,1,2.0
OADMET-0001737,C=CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)s1,3.99,4.866316000620524,4.821480836236933,116,2,1,2.0
OADMET-0001736,C=CC(=O)NCc1ccc(C(=O)N2COC[C@@]3(COC[C@@H]4CCCN43)C2)cc1,3.05,3.0830936431884766,2.9914062500000007,12,0,1,2.0
OADMET-0001735,C=CC(=O)N(Cc1cnn(CC)c1)Cc1ccc(C2CC2C)o1,4.27,4.406010786692302,4.543097826086957,178,3,1,2.0
OADMET-0001734,C=CC(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1,4.53,4.502662976582845,4.59815,73,3,1,2.0
OADMET-0001733,C=CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2N2CCOCC2)cc1,3.44,3.889235496520996,3.916360294117648,12,0,1,2.0
OADMET-0001732,C=CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(F)c(Br)c3)C2)cc1,4.38,4.48287312189738,4.59815,1202,0,0,1.0
OADMET-0001731,C=CC(=O)N(C)CC(=O)NC(C)c1ccc(-c2nn[nH]n2)cc1,2.75,2.2869889736175537,2.46,431,3,0,1.0
OADMET-0001730,C=CC(=O)N(C)c1ccc(C(=O)N2CCN(c3cccc(F)c3F)CC2)cc1,3.26,3.5261361598968506,3.4971951219512194,24,3,1,2.0
OADMET-0001729,C=CC(=O)Nc1ccc(CCC(=O)N2CCS(=O)C(C)(C)CC2)cc1,3.67,3.698790709177653,3.6602857142857137,1201,3,0,1.0
OADMET-0001727,C=CC(=O)N(CC)CC(=O)N1CCN(C2CCCOC2)CC1,2.54,2.111360549926758,2.31875,116,2,0,1.0
OADMET-0001726,C=CC(=O)N1CCC(C(=O)N2CCCC2Cn2cnc3ccccc32)CC1,3.35,3.062523047129313,2.9914062500000007,72,1,0,1.0
OADMET-0001725,C=CC(=O)N(Cc1cc(C(N)=O)cs1)C[C@H]1CCO[C@@H]1c1cnn(C)c1,2.55,2.9462083180745444,2.811071428571428,1200,1,0,1.0
OADMET-0001724,C=CC(=O)N(Cc1cnn(C)c1C)CC1(c2cccc(F)c2)CCOCC1,4.6,4.71721887588501,4.817948717948719,1199,0,0,1.0
OADMET-0001723,C=CC(=O)N(Cc1cnc(C(C)(C)C)nc1)c1ccc(NC(=O)CC)cc1,4.07,3.179381767908732,3.0979268292682924,1198,2,0,1.0
OADMET-0001722,C=CC(=O)Nc1ccc(O)c(C(=O)Nc2cc3sc(=O)n(C)c3cc2C)c1,3.87,3.186717907587687,3.0979268292682924,1197,1,0,1.0
OADMET-0001721,C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cc1,3.91,2.7401405970255532,2.795725806451613,203,4,0,1.0
OADMET-0001720,C=CC(=O)NCCC(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1,3.44,3.9828184445699057,4.031000000000001,8,4,1,2.0
OADMET-0001719,C=CC(=O)NCCC(=O)N1C[C@H](CO)[C@@H](c2cnn(C)c2)C1,1.67,2.5157135327657065,2.5691379310344833,202,1,1,2.0
OADMET-0001718,C=CC(=O)Nc1ccccc1CC(=O)N1CCCC1C(=O)N(C)C,4.08,4.1398515701293945,4.311111111111112,430,2,0,1.0
OADMET-0001717,C=CC(=O)NCc1ccc(C(=O)N2CCN(C3=NCCS3)CC2)cc1,3.36,2.1439042488733926,2.353951612903226,8,4,1,2.0
OADMET-0001716,C=CC(=O)N1CCCC1C(=O)NCc1noc2c1CC(C)CC2,4.04,4.20167891184489,4.355306748466257,1196,0,0,1.0
OADMET-0001715,C=CC(=O)NCc1ccc(C(=O)NCCc2cnc3ccccc3c2)cc1,3.41,3.8249875704447427,3.916360294117648,201,0,1,2.0
OADMET-0001714,C=CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1,1.72,3.641790231068929,3.571791044776119,206,1,0,1.0
OADMET-0001713,C=CC(=O)NCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1,3.49,3.255377769470215,3.0979268292682924,429,2,1,2.0
OADMET-0001712,C=CC(=O)N(C)c1ccc(C(=O)N(C)c2nnc(C)s2)cc1,2.66,2.265204588572184,2.353951612903226,200,0,0,1.0
OADMET-0001711,C=CC(=O)N(C)CC(=O)N1CCN(Cc2cc3c(s2)CCCC3)CC1,1.62,2.5773824055989585,2.5691379310344833,13,4,1,2.0
OADMET-0001710,C=CC(=O)NCCc1noc(COc2ccc(Cl)cc2)n1,4.45,3.2495442231496177,3.0979268292682924,1195,2,0,1.0
OADMET-0001709,C=CC(=O)N(CC)CC(=O)N1CCCC1c1nc(-c2ccccc2Cl)c[nH]1,4.56,4.322597662607829,4.47620253164557,428,1,0,1.0
OADMET-0001708,C=CC(=O)N1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1,2.43,2.442464907964071,2.5691379310344833,72,1,0,1.0
OADMET-0001707,C=CC(=O)NCCC(=O)N1CCC(O)(c2scnc2Br)CC1,2.81,2.8388331731160483,2.795725806451613,8,4,0,1.0
OADMET-0001695,CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccsc1C=O,4.44,4.1240889231363935,4.164821428571428,1194,1,0,1.0
OADMET-0001694,O=Cc1c(-c2ccc(Br)s2)nc2ccccn12,3.67,4.383257706960042,4.477399999999999,1193,3,0,1.0
OADMET-0001693,CCSc1nnc(SCc2cc(C=O)ccc2OC)s1,4.52,4.396685759226481,4.543097826086957,407,1,0,1.0
OADMET-0001692,O=Cc1c(O)ccc2cc(OP(=O)(O)O)ccc12,1.89,2.145092169443766,2.353951612903226,1192,1,0,1.0
OADMET-0001691,CNC(=O)C(NC(=O)c1ccc2c(C=O)c[nH]c2c1)c1ccccc1,3.47,3.587754408518473,3.571791044776119,427,1,0,1.0
OADMET-0001690,O=Cc1ccc(C(=O)NCc2noc(-c3ccc(Cl)cc3F)n2)[nH]1,3.91,3.730061928431193,3.8408219178082192,1191,4,0,1.0
OADMET-0001689,O=Cc1ccc2cc(Cl)cc(Br)c2n1,3.28,4.492130597432454,4.59815,1190,1,0,1.0
OADMET-0001688,COC(=O)c1[nH]c2ccc(Br)cc2c1C=O,3.48,3.9397149085998535,3.916360294117648,1189,4,0,1.0
OADMET-0001687,Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=O,4.18,3.684882164001465,3.6602857142857137,193,1,0,1.0
OADMET-0001686,O=Cc1ccc(-c2ncccc2OCCc2ccccn2)cc1,4.5,3.5038462479909263,3.4971951219512194,1188,4,0,1.0
OADMET-0001685,O=Cc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1,2.27,2.7790591716766357,2.795725806451613,1187,2,0,1.0
OADMET-0001684,COc1ccc(C(C)=O)cc1COc1c(C)cc(C=O)cc1C,3.91,4.427162488301595,4.543097826086957,1186,1,0,1.0
OADMET-0001683,O=Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)[nH]1,4.58,5.129624207814534,4.9999852507374625,1185,4,0,1.0
OADMET-0001682,Cc1c(C=O)c2ccccn2c1CCc1ccncc1,4.63,3.370975891749064,3.4971951219512194,1184,0,0,1.0
OADMET-0001681,CC1CCN(c2ccc(F)cc2F)CCN1c1ncc(C=O)cn1,4.09,3.7598869800567627,3.8408219178082192,404,3,0,1.0
OADMET-0001680,Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1C=O,4.31,4.079786539077759,4.092280701754386,193,1,0,1.0
OADMET-0001679,Cc1cccc(C)c1NC(=O)C(CC(C)C)n1cccc1C=O,5.43,4.554651737213135,4.682475247524752,1183,3,0,1.0
OADMET-0001678,O=Cc1ccc(Oc2ccc(Br)cc2)nc1,2.37,2.518054405848185,2.5691379310344833,1182,2,1,2.0
OADMET-0001677,NC(=O)C1CCCN1c1nc2ccccn2c1C=O,2.97,2.8344234625498452,2.795725806451613,1181,4,0,1.0
OADMET-0001676,O=Cc1ccc(OC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1,3.94,4.346903324127197,4.47620253164557,11,3,0,1.0
OADMET-0001675,Cc1ccccc1-n1cc(-c2c[nH]c(C=O)c2)nn1,3.46,4.438921133677165,4.543097826086957,1180,2,0,1.0
OADMET-0001674,C=CC(=O)N(Cc1cc(CC)no1)Cc1sncc1Br,3.81,4.021496136983235,4.043714285714285,1179,3,0,1.0
OADMET-0001673,C=CC(=O)NCCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21,2.73,3.769841988881429,3.8408219178082192,1178,3,0,1.0
OADMET-0001672,C=CC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)CC(C)S(C)=O,3.35,3.363070090611776,3.4,1177,2,1,2.0
OADMET-0001671,C=CC(=O)N1CCN(C(=O)c2csc(N=S(C)(=O)N(C)C)n2)[C@@H](C)C1,3.66,2.64868426322937,2.7054255319148934,44,1,0,1.0
OADMET-0001670,C=CC(=O)NC[C@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@@H]1OCC,4.5,4.339843114217122,4.47620253164557,1176,1,0,1.0
OADMET-0001669,C=CC(=O)N1CC(C(=O)NC(CC)CC)Oc2ccccc21,3.72,3.904257615407308,3.916360294117648,426,2,0,1.0
OADMET-0001668,C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2cnc(C3CCCO3)s2)C1,3.49,4.206365426381429,4.355306748466257,422,3,1,2.0
OADMET-0001667,C=CC(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1,4.56,3.7324326038360596,3.8408219178082192,1175,2,0,1.0
OADMET-0001666,C=CC(=O)N1CCC(C(=O)NC(CCO)c2cccs2)CC1,1.76,2.712616761525472,2.7054255319148934,199,4,1,2.0
OADMET-0001665,C=CC(=O)NCCC(=O)N[C@H]1CC[C@@H](S(C)(=O)=O)CC1,2.36,2.0399535497029624,2.29,1174,3,0,1.0
OADMET-0001664,C=CC(=O)N1CCN(C(=O)C2CCCN(c3nc(C)cs3)C2)[C@@H](C)C1,3.43,3.1441164016723633,3.0979268292682924,44,1,1,2.0
OADMET-0001663,C=CC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)[C@@H](C)C1,1.89,2.5860602060953775,2.5691379310344833,44,1,0,1.0
OADMET-0001662,C=CC(=O)N(C)CC(=O)Nc1nn(-c2ncccc2F)cc1C,3.14,3.5738397439320884,3.571791044776119,1173,1,1,2.0
OADMET-0001661,C=CC(=O)Nc1cccc(CC(=O)N2CCC(O)(c3ccc(F)c(F)c3)CC2)c1,4.26,4.642443497975667,4.776467889908257,73,3,0,1.0
OADMET-0001660,C=CC(=O)NCC1(NC(=O)c2cccc(CNC(C)=O)c2)CCCCC1,3.33,4.342732747395833,4.47620253164557,1172,3,1,2.0
OADMET-0001659,C=CC(=O)Nc1cccc(C(=O)N2CCC3=NS(=O)(=O)NC=C3C2)c1,1.7,2.642451842625936,2.7054255319148934,416,2,1,2.0
OADMET-0001658,C=CC(=O)Nc1ccc(CC(=O)N2CCn3c(n[nH]c(=O)c3=O)C2)cc1,2.2,1.970152457555135,2.29,1171,0,0,1.0
OADMET-0001657,C=CC(=O)N1CCCC(C(=O)N(C)C2CCN(c3cc(C)nc(C)n3)CC2)C1,1.66,3.14785369237264,3.0979268292682924,425,0,1,2.0
OADMET-0001656,C=CC(=O)N1CCC(C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)CC1,2.5,2.707418998082479,2.7054255319148934,424,4,0,1.0
OADMET-0001655,C=CC(=O)NCCC(=O)N1CCCC(c2nc3c(s2)CCC3)C1,4.11,4.667730331420898,4.817948717948719,423,3,1,2.0
OADMET-0001654,C=CC(=O)NCc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1,3.66,3.277973175048828,3.101637931034483,1170,4,0,1.0
OADMET-0001653,C=CC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)C1,1.88,4.469125588734944,4.5774358974358975,422,3,1,2.0
OADMET-0001652,C=CC(=O)N(CC)CC(=O)NC(C)(C)c1cn(C(C)C)nn1,3.09,3.8943235874176025,3.916360294117648,1169,3,1,2.0
OADMET-0001651,C=CC(=O)N(CCc1cn(C)nn1)CC1CCC(C)(C)CC1,4.37,4.311562220255534,4.47620253164557,1168,4,0,1.0
OADMET-0001650,C=CC(=O)N1CCC(C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1,2.86,3.6042795181274414,3.571791044776119,4,1,1,2.0
OADMET-0001649,C=CC(=O)NC(Cc1ccccc1)c1nc(-c2ccncc2)no1,3.95,3.913004000981649,3.916360294117648,415,1,1,2.0
OADMET-0001648,C=CC(=O)N(C)CC(=O)N1CCC2(CC1)Cc1cc(OC)ccc1C2=O,2.64,3.3267223040262857,3.101637931034483,13,4,0,1.0
OADMET-0001647,C=CC(=O)N1CCC(C(=O)Nc2cnn(C(C)C3CC3)c2)CC1,3.33,3.01926326751709,2.9914062500000007,4,1,1,2.0
OADMET-0001646,C=CC(=O)N(CC1=CCCCC1)Cc1cc(-c2ccc(Cl)cc2)on1,4.22,4.616622765858968,4.776467889908257,1167,3,0,1.0
OADMET-0001645,C=CC(=O)N1CCCC(C(=O)N=S(C)(=O)c2cccc(Cl)c2)C1,4.45,3.942434231440226,3.916360294117648,419,1,1,2.0
OADMET-0001644,C=CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)[C@@H](C)C1,2.51,2.3062121868133545,2.4937500000000004,44,1,0,1.0
OADMET-0001643,C=CC(=O)Nc1cccnc1Oc1ccc(Cl)cc1Cl,4.1,4.00191855430603,4.043714285714285,1166,2,1,2.0
OADMET-0001642,C=CC(=O)N1CCC(C(=O)NC(C)c2n[nH]c(CC)n2)(c2ccccc2)CC1,4.24,3.8180532455444336,3.916360294117648,198,1,0,1.0
OADMET-0001641,C=CC(=O)NCc1ccccc1C(=O)NCc1cc(C2CC2)nn1C,3.27,3.3864115873972573,3.4971951219512194,417,4,1,2.0
OADMET-0001640,C=CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](c2nc3ccccc3o2)CC1,2.23,3.4034054279327393,3.4971951219512194,46,3,1,2.0
OADMET-0001639,C=CC(=O)Nc1cc(NC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)ccc1F,2.58,4.2363020579020185,4.355306748466257,45,0,0,1.0
OADMET-0001638,C=CC(=O)N1CCC(C(=O)NCC(C)(O)C2CCCC2)CC1,2.28,2.5760750770568848,2.5691379310344833,21,4,0,1.0
OADMET-0001637,C=CC(=O)Nc1cnn(C(C)c2nnc3n2CCCCC3)c1,3.62,4.21016804377238,4.355306748466257,1165,3,0,1.0
OADMET-0001636,C=CC(=O)N1CCC[C@@H](C(=O)NCCc2cnc3c(Cl)cnn3c2)C1,3.15,2.7324119408925376,2.795725806451613,71,0,0,1.0
OADMET-0001635,C=CC(=O)N1CC(C(=O)N(CCCC)Cc2nc3ccccc3c(=O)[nH]2)C1,3.63,3.3641849358876548,3.4,1164,0,1,2.0
OADMET-0001634,C=CC(=O)N1CCC(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1,4.83,2.475046475728353,2.5691379310344833,4,1,1,2.0
OADMET-0001633,C=CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1OC(C)C,4.18,4.659643014272054,4.817948717948719,117,3,0,1.0
OADMET-0001632,C=CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnnn3CC)c2)C1,2.45,2.4450114568074546,2.5691379310344833,4,1,1,2.0
OADMET-0001631,C=CC(=O)Nc1cc(NC(=O)c2nc(C3CC3)oc2C)ccc1F,4.35,3.8919947147369385,3.916360294117648,45,0,1,2.0
OADMET-0001630,C=CC(=O)N1CCC(C(=O)N2CCCC(C)CC2)(c2ccccc2)CC1,5.82,4.893517017364502,4.834642319277108,198,1,1,2.0
OADMET-0001629,C=CC(=O)N1CC(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1,3.27,2.8044540087381997,2.795725806451613,421,1,0,1.0
OADMET-0001628,C=CC(=O)N(C)CC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1,3.48,3.214986801147461,3.0979268292682924,13,4,0,1.0
OADMET-0001627,C=CC(=O)N(CC)CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1,4.67,4.282422224680583,4.355306748466257,116,2,1,2.0
OADMET-0001626,C=CC(=O)N(CCCN1CCOCC1)C1CCS(=O)(=O)C1,2.86,2.199108441670736,2.353951612903226,1163,0,0,1.0
OADMET-0001625,C=CC(=O)N1CCC(C(=O)Nc2nc3c(o2)CCCC3)CC1,2.97,2.7303191820780435,2.795725806451613,4,1,1,2.0
OADMET-0001624,C=CC(=O)NC(c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C,4.33,4.95683479309082,4.988000000000001,1162,0,0,1.0
OADMET-0001623,C=CC(=O)N(C)CC(=O)Nc1cc(N2CCC3(CCC3)C2)c(Cl)cn1,4.87,3.8988993962605796,3.916360294117648,420,2,0,1.0
OADMET-0001622,C=CC(=O)N(C)CC(=O)N[C@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1,4.2,4.070966641108195,4.092280701754386,1161,4,0,1.0
OADMET-0001621,C=CC(=O)N1CCCC(C(=O)N[C@H](C)c2coc3c(F)cccc23)C1,4.65,4.091410239537557,4.164821428571428,419,1,0,1.0
OADMET-0001620,C=CC(=O)Nc1cc(F)cc(NC2CCN(S(C)(=O)=O)CC2)c1,3.85,3.810323476791382,3.916360294117648,1160,3,0,1.0
OADMET-0001619,C=CC(=O)N(Cc1nc2c(s1)CC(C)CC2)[C@@H](CC)CO,5.05,4.77151346206665,4.821480836236933,1159,2,1,2.0
OADMET-0001618,C=CC(=O)NCC(=O)NCC1(c2cccc(Cl)c2F)CCCC1,4.88,4.615454037984212,4.776467889908257,1158,1,1,2.0
OADMET-0001617,C=CC(=O)Nc1cc(NC(=O)Cc2ccc(O)c(OC)c2)ccc1F,3.92,3.68116823832194,3.6602857142857137,45,0,0,1.0
OADMET-0001616,C=CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c3c(c2)OCCCO3)cc1,4.34,4.047845681508382,4.092280701754386,418,1,1,2.0
OADMET-0001615,C=CC(=O)N1CCC(C(=O)NCc2cc3c(cc2OC)OCO3)C1,2.79,2.5260828336079917,2.5691379310344833,71,0,1,2.0
OADMET-0001614,C=CC(=O)N(Cc1oc(CC)nc1C)Cc1sc2ccccc2c1C,3.88,4.827137311299642,4.821480836236933,1157,0,1,2.0
OADMET-0001613,C=CC(=O)NCCC(=O)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1,4.08,3.3872644106547036,3.4971951219512194,8,4,1,2.0
OADMET-0001612,C=CC(=O)N(C)CC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1,3.53,3.072940190633138,2.9914062500000007,13,4,1,2.0
OADMET-0001611,C=CC(=O)N[C@@H]1CN(C(=O)Cn2nnc(C3CC3)n2)C[C@H]1CC(C)(C)C,4.25,3.6200541655222573,3.571791044776119,1156,4,0,1.0
OADMET-0001610,C=CC(=O)NC1CCCOC1C1CCN(C(=O)CCCc2sccc2C)CC1,5.01,4.064068555831909,4.092280701754386,1155,3,0,1.0
OADMET-0001609,C=CC(=O)NCc1ccccc1C(=O)NC1(c2noc(C)n2)CCCCC1,4.31,4.216901938120524,4.355306748466257,417,4,0,1.0
OADMET-0001608,C=CC(=O)Nc1cccc(C(=O)N2CCS(=N)(=O)c3ccccc32)c1,3.98,4.291986147562663,4.355306748466257,416,2,0,1.0
OADMET-0001607,C=CC(=O)N1CCC(C(=O)NCc2nnc3ccc(N(C)C)nn23)CC1,2.28,2.3364364306131997,2.4937500000000004,4,1,0,1.0
OADMET-0001606,C=CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1,3.99,3.548431396484375,3.5503846153846155,415,1,1,2.0
OADMET-0001605,C=CC(=O)Nc1ccc(O)c(C(=O)N(C)C(C)C(=O)NC(C)(C)C)c1,4.21,4.359816551208496,4.477399999999999,413,3,0,1.0
OADMET-0001604,C=CC(=O)NCc1ccc(C(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1,2.68,3.3903510570526123,3.4971951219512194,8,4,0,1.0
OADMET-0001602,C=CC(=O)N1CCCC(C(=O)NCc2cc(=O)nc(SC)[nH]2)C1,1.77,2.147199551264445,2.353951612903226,71,0,1,2.0
OADMET-0001601,C=CC(=O)N[C@H]1CN(C(=O)Cc2noc3ccc(F)cc23)C[C@@H]1C1CC1,3.52,4.413838704427083,4.543097826086957,1154,2,1,2.0
OADMET-0001600,C=CC(=O)N1CCN(C(=O)c2ccc(N3CCCNS3(=O)=O)cc2)[C@@H](C)C1,1.96,3.1907944679260254,3.0979268292682924,414,0,0,1.0
OADMET-0001599,C=CC(=O)NCc1ccc(C(=O)N(c2cc(C)ccc2C)C2CCOCC2)cc1,4.29,4.372244993845622,4.477399999999999,12,0,1,2.0
OADMET-0001598,C=CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1,3.71,2.662114222844442,2.7054255319148934,1153,1,0,1.0
OADMET-0001597,C=CC(=O)N(C)C(C)c1ccccc1N1CCCS1(=O)=O,4.5,5.172148545583089,4.9999852507374625,1152,0,1,2.0
OADMET-0001596,C=CC(=O)N1CCCC(C(=O)Nc2ccc3c(n2)NC(=O)CO3)C1,2.23,2.6113741397857666,2.7054255319148934,71,0,1,2.0
OADMET-0001595,C=CC(=O)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1,1.8,2.2251522541046143,2.353951612903226,1151,4,1,2.0
OADMET-0001594,C=CC(=O)N1CCCC(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)C1,1.7,2.4876085917154946,2.5691379310344833,71,0,0,1.0
OADMET-0001593,C=CC(=O)N(CC)CC(=O)Nc1ccc(C)c(Oc2ccnc(C(=O)NC)c2)c1,4.84,2.7750446796417236,2.795725806451613,197,2,0,1.0
OADMET-0001592,C=CC(=O)N(C)c1ccc(C(=O)Nc2nc3cc(C(N)=O)ccc3[nH]2)cc1,2.44,2.24122683207194,2.353951612903226,203,4,0,1.0
OADMET-0001591,C=CC(=O)NCC(=O)N1CCC2(CC1)OCCc1cc(Cl)sc12,3.5,3.698083241780599,3.6602857142857137,1150,3,0,1.0
OADMET-0001590,C=CC(=O)N(C)CC(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1,2.88,2.2097600301106772,2.353951612903226,13,4,1,2.0
OADMET-0001589,C=CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1,3.04,3.7982959747314453,3.8408219178082192,196,3,1,2.0
OADMET-0001588,C=CC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1,4.34,5.184133529663086,5.026367187500001,413,3,0,1.0
OADMET-0001587,C=CC(=O)N(Cc1ccccc1OCC)CC1(O)CCCC1,5.09,4.57683261235555,4.682475247524752,1149,2,1,2.0
OADMET-0001586,C=CC(=O)N1CCCC(C(=O)N2CCN(c3nc(Br)n[nH]3)CC2)C1,2.57,2.6164445082346597,2.7054255319148934,115,0,0,1.0
OADMET-0001585,C=CC(=O)N(C)CC(=O)NCCN1C(=O)NC2(CCCC2)C1=O,2.25,2.6563419500986734,2.7054255319148934,412,3,0,1.0
OADMET-0001584,C=CC(=O)N(Cc1cc(Br)ccc1F)C1CCC2(CC1)OCCO2,5.28,4.435968081156413,4.543097826086957,1148,1,0,1.0
OADMET-0001583,C=CC(=O)Nc1ccccc1N1CCN(C(=O)OCC(C)C)CC1,5.28,4.421640237172444,4.543097826086957,1147,0,1,2.0
OADMET-0001582,C=CC(=O)N(C)CC(=O)Nc1ccc(N2CCCCC2)cc1C(N)=O,3.01,3.45365301767985,3.4971951219512194,13,4,1,2.0
OADMET-0001581,C=CC(=O)N(C)CC(=O)Nc1ccccc1N1CC2CCC1C2,5.01,5.375026702880859,5.2117424242424235,117,3,1,2.0
OADMET-0001580,C=CC(=O)Nc1cccc(C(=O)NCC2(CC)OCCc3ccccc32)c1,5.26,4.819197177886963,4.821480836236933,1146,4,1,2.0
OADMET-0001579,C=CC(=O)N(Cc1ccc(CS(C)(=O)=O)cc1)Cc1cnn(C)c1,2.77,2.889056444168091,2.795725806451613,411,3,1,2.0
OADMET-0001578,C=CC(=O)N1CC(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C(C)C)C1,3.58,3.7763615449269614,3.8408219178082192,4,1,0,1.0
OADMET-0001577,C=CC(=O)NCCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1,3.83,3.0970540046691895,2.9914062500000007,8,4,1,2.0
OADMET-0001576,C=CC(=O)N1CCCC(C(=O)N2CCCC(c3ocnc3C(=O)OC)C2)C1,2.7,3.0705224672953286,2.9914062500000007,115,0,1,2.0
OADMET-0001575,C=CC(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1,2.48,1.961684028307597,2.29,1145,3,0,1.0
OADMET-0001574,C=CC(=O)Nc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1F,4.01,4.219265302022298,4.355306748466257,45,0,0,1.0
OADMET-0001573,C=CC(=O)Nc1cccc(CC(=O)NCc2nnc(S)n2CC)c1,2.61,3.15162984530131,3.0979268292682924,73,3,0,1.0
OADMET-0001572,C=CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C3CCOC3)cn2)C1,2.37,3.1867265701293945,3.0979268292682924,1144,2,1,2.0
OADMET-0001571,C=CC(=O)NCCc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1,4.35,3.6657937367757163,3.6602857142857137,168,1,0,1.0
OADMET-0001570,C=CC(=O)N1Cc2ccccc2CC1CNC(=O)C1=NOC(c2ccccc2)C1,4.63,4.53034512201945,4.619999999999999,1143,1,0,1.0
OADMET-0001569,C=CC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1,4.28,3.8831565380096436,3.916360294117648,208,3,1,2.0
OADMET-0001568,C=CC(=O)NCCC(=O)N1CCN(C(=O)c2ccsc2)CC1,2.55,2.0169485807418823,2.29,8,4,1,2.0
OADMET-0001567,C=CC(=O)N1CCC(C(=O)N2CCC(n3cc(C(=O)OC)nn3)C2)CC1,1.85,2.2024444739023843,2.353951612903226,72,1,1,2.0
OADMET-0001566,C=CC(=O)NC(C)c1nc(-c2ccc(Cl)cc2)c(C)s1,4.66,4.6655426025390625,4.817948717948719,410,0,0,1.0
OADMET-0001565,C=CC(=O)N1CCC(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)CC1,3.07,3.5284363428751626,3.5503846153846155,4,1,1,2.0
OADMET-0001564,C=CC(=O)N1CCC(C(=O)N2CCc3c(ncn3-c3ccccc3)C2)CC1,2.92,3.1915058294932046,3.0979268292682924,4,1,0,1.0
OADMET-0001563,C=CCc1ccc(OCCOc2ccc(C=O)cc2)c(OC)c1,3.97,3.7558206717173257,3.8408219178082192,194,0,0,1.0
OADMET-0001562,C=CC(=O)N1CC2(CCC(CNC(=O)C(C)Oc3ccc(C)cc3C)O2)C1,4.52,4.468552271525065,4.5774358974358975,1142,0,0,1.0
OADMET-0001561,C=CC(=O)NCC(NC(=O)c1ccc2c(c1)CNC2=O)c1ccc2ccccc2c1,3.95,4.512300809224446,4.59815,409,3,1,2.0
OADMET-0001558,C=CC(=O)NCc1ccc(C(=O)NCC2CCCC23CCOCC3)cc1,3.69,3.626540025075277,3.571791044776119,12,0,0,1.0
OADMET-0001557,C=CC(=O)N(Cc1ccnn1CC1CCC1)c1cccc(CO)c1,4.81,4.006446361541748,4.043714285714285,1141,4,1,2.0
OADMET-0001556,C=CC(=O)N(Cc1ccn(C)n1)C1CCN(C(=O)c2ccccc2F)CC1,3.58,3.260587135950724,3.0979268292682924,408,2,0,1.0
OADMET-0001555,C=CC(=O)N1CC(C(=O)N[C@H]2COC[C@H]2Oc2cnn(-c3ccccc3)c2)C1,3.25,2.6629083156585693,2.7054255319148934,1140,3,0,1.0
OADMET-0001554,C=CC(=O)Nc1ccc(C(=O)N2CCS(=O)CC2c2cnn(C)c2)cc1,2.02,2.8559347788492837,2.795725806451613,1139,2,1,2.0
OADMET-0001553,C=CC(=O)N1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)[C@@H](C)C1,2.96,2.833328644434611,2.795725806451613,44,1,0,1.0
OADMET-0001552,C=CC(=O)NC(C)(C)CC(C)(NCCc1cnn(C)c1C)c1nnnn1C1CCCC1,4.64,4.780595938364665,4.821480836236933,1138,1,0,1.0
OADMET-0001551,Cn1cc(CCOc2ccc(Br)cc2C=O)cn1,4.07,3.5279035568237305,3.5503846153846155,1137,0,0,1.0
OADMET-0001550,O=Cc1c(Cl)nc(Oc2ccccc2)n1-c1ccccc1,5.04,4.279542446136475,4.355306748466257,1136,3,0,1.0
OADMET-0001549,O=Cc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1,2.58,3.3141047159830728,3.101637931034483,379,4,0,1.0
OADMET-0001548,O=Cc1sc(N2CCCCC2)nc1-c1cccs1,4.7,4.95487101872762,4.988000000000001,1135,2,0,1.0
OADMET-0001547,Cc1cccn2c(=O)c(C=O)c(Sc3ncccn3)nc12,3.25,4.93797508875529,4.888,405,4,0,1.0
OADMET-0001545,Nc1c(C=O)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1,1.69,2.3634396394093833,2.4937500000000004,1134,1,0,1.0
OADMET-0001544,O=Cc1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,2.68,2.8010381062825522,2.795725806451613,1133,2,1,2.0
OADMET-0001543,COc1ccc(C=O)cc1Cn1ncc(Cl)c(Cl)c1=O,4.2,3.847478707631429,3.916360294117648,407,1,0,1.0
OADMET-0001542,CC1CN(C(=O)c2csc(C=O)c2)CC(C)O1,1.68,2.2785979906717935,2.353951612903226,1132,3,1,2.0
OADMET-0001540,CCOC(=O)c1cccc2nc(C=O)c([N+](=O)[O-])n12,3.37,2.678813854853312,2.7054255319148934,1131,4,0,1.0
OADMET-0001539,O=Cc1c(Oc2ccc3c(c2)OCO3)nc2ccccn2c1=O,3.34,3.2174288431803384,3.0979268292682924,1130,2,0,1.0
OADMET-0001538,CC(C)c1nn(C(C)(C)C)c(O)c1C=O,4.12,4.124120553334554,4.164821428571428,1129,1,0,1.0
OADMET-0001537,O=Cc1cc(F)c(OCc2cn(-c3ccc(Cl)cc3)nn2)c(F)c1,3.49,4.080272833506267,4.092280701754386,1128,0,0,1.0
OADMET-0001536,Cc1cc(C)n(CC(C)CNC(=O)COc2ccccc2C=O)n1,4.82,3.9565730889638266,4.0285714285714285,406,0,0,1.0
OADMET-0001535,O=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3)cc2)o1,4.87,4.835936864217122,4.821480836236933,1127,4,0,1.0
OADMET-0001533,O=Cc1ccc(CC(=O)NCCCCc2ccc(Cl)s2)[nH]1,5.2,3.702388286590576,3.6602857142857137,1126,3,0,1.0
OADMET-0001532,O=Cc1ccc(OCC(=O)NC2CCCc3ccccc32)cc1,4.67,4.009073098500569,4.043714285714285,195,2,1,2.0
OADMET-0001531,O=Cc1nn(C2CCCCO2)nc1Br,3.29,3.9181509812672934,3.916360294117648,1125,2,0,1.0
OADMET-0001530,O=Cc1ccc(C(=O)C=Cc2ccc(Cl)cc2)o1,3.87,3.3017591635386148,3.101637931034483,1124,1,1,2.0
OADMET-0001529,Cc1cc(C=O)cc2c1OC1(C=C2)Oc2ccccc2C(=O)N1C,5.1,4.611315568288167,4.776467889908257,1123,0,0,1.0
OADMET-0001528,Cc1ccccc1Nc1nc(Cl)c(C=O)s1,4.56,4.229613463083903,4.355306748466257,1122,4,0,1.0
OADMET-0001527,Cc1ccccc1C1CN(c2ccc(C=O)cn2)CCO1,3.79,3.4584142367045083,3.4971951219512194,1121,3,0,1.0
OADMET-0001526,O=Cc1sc(=NS(=O)(=O)c2ccc(F)cc2)n(-c2ccccc2)c1Cl,3.53,4.951547145843506,4.988000000000001,1120,2,0,1.0
OADMET-0001525,COc1cc(C=O)ccc1OCC(=O)NC1CCCc2ccccc21,4.91,4.526980717976888,4.619999999999999,195,2,0,1.0
OADMET-0001524,COc1cncc(CNC(=O)CCOc2ccc(C=O)cc2OC)c1,3.01,2.8863330682118735,2.795725806451613,194,0,1,2.0
OADMET-0001522,O=Cc1ccccc1S(=O)(=O)N1CCCCC1CCn1ccnn1,4.53,4.6339155832926435,4.776467889908257,1119,1,0,1.0
OADMET-0001520,CC1CC(C)CN(CC(C)NC(=O)c2cc(Br)c(C=O)n2C)C1,4.55,3.8408761024475098,3.916360294117648,1118,0,0,1.0
OADMET-0001519,CCC(CC)c1nnc(NC(=O)c2cc(C=O)[nH]c2C)s1,3.81,4.134320656458537,4.311111111111112,1117,3,0,1.0
OADMET-0001518,O=Cc1cc(Cl)cnc1Sc1ccncn1,3.66,3.144975423812866,3.0979268292682924,1116,4,0,1.0
OADMET-0001517,Cn1cc(C=O)cc1C(=O)NC(Cn1ccnc1)c1ccccc1,3.1,4.1262526512146,4.164821428571428,1115,2,0,1.0
OADMET-0001516,Cc1ccc2cc(C=O)c(N3CCCCC3)nc2c1,4.79,5.351675192515056,5.2117424242424235,1114,1,0,1.0
OADMET-0001514,CCOC(=O)c1c(Nc2ccccc2)sc(C=O)c1Cl,4.53,4.848702430725098,4.821480836236933,1113,0,0,1.0
OADMET-0001513,Cc1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=O,4.98,4.993059317270915,4.998154761904762,193,1,0,1.0
OADMET-0001512,CC1(Cn2cc(-c3cncc(C=O)c3)nn2)COC1,1.82,3.251877943674723,3.0979268292682924,1112,4,0,1.0
OADMET-0001511,CN(C(=O)c1cc(C=O)ccc1F)C(c1ccccc1)c1nnc[nH]1,3.62,3.9259962240854898,3.916360294117648,1111,3,0,1.0
OADMET-0001510,COc1ccc2nc(O)c(C=O)cc2c1,1.67,2.2012032667795816,2.353951612903226,1110,2,0,1.0
OADMET-0001509,O=Cc1csc(COc2ccc(Cl)cc2)n1,2.86,3.307744344075521,3.101637931034483,1109,1,1,2.0
OADMET-0001508,O=Cc1ccccc1OCCOc1ccc(Cl)c2cccnc12,4.58,4.558383305867513,4.682475247524752,1108,0,0,1.0
OADMET-0001507,Cc1cc(C=O)c(C)n1-c1ccc(F)c(F)c1F,4.61,4.2239054044087725,4.355306748466257,1107,4,0,1.0
OADMET-0001506,COc1cc(C=O)ccc1OCc1ncc(C)c(OC)c1C,4.47,3.577827533086141,3.571791044776119,194,0,0,1.0
OADMET-0001505,Cc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12,3.86,4.133447090784709,4.311111111111112,405,4,0,1.0
OADMET-0001504,O=Cc1nc2ccccc2n1Cc1ccc2ccccc2c1,5.16,4.5439120928446455,4.682475247524752,1106,3,0,1.0
OADMET-0001503,O=Cc1ccc(OCCCCN2CCCCC2)cc1,3.52,1.976882537206014,2.29,1105,2,0,1.0
OADMET-0001502,Cc1cccc2cc(C=O)c(Oc3ccc(F)cc3)nc12,4.57,4.500985463460286,4.59815,1104,1,1,2.0
OADMET-0001501,CC(C)(C)c1cnnn1-c1ccc(C=Cc2ccc(C=O)cc2)cc1,3.91,4.269863128662109,4.355306748466257,1103,0,0,1.0
OADMET-0001500,O=Cc1cnc(N2CC3(CCC3)C2c2ccc(F)cc2)nc1,4.41,4.289229075113933,4.355306748466257,404,3,0,1.0
OADMET-0001499,COc1ccc(OCC(=O)NCc2cccs2)c(C=O)c1,3.88,3.355490207672119,3.101637931034483,403,4,1,2.0
OADMET-0001498,CC1(Cc2ccc(Cl)s2)CCCN1C(=O)c1cncc(C=O)c1,5.51,5.4391428629557295,5.262840909090909,1102,1,0,1.0
OADMET-0001497,O=Cc1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1,4.95,4.8271721204121905,4.821480836236933,1101,4,0,1.0
OADMET-0001496,O=Cc1ccc(N2CCN(c3ncnc4[nH]ncc34)CC2)s1,1.85,2.0113292932510376,2.29,261,0,0,1.0
OADMET-0001495,CC1(Cc2ccccc2)CCCN1c1ncc(C=O)cn1,5.09,4.816279888153076,4.821480836236933,1100,1,0,1.0
OADMET-0001494,Cc1noc2ncc(NC(=O)c3ccc(N(C)C)c(C=O)c3)cc12,2.26,4.25568962097168,4.355306748466257,402,2,0,1.0
OADMET-0001493,Cc1cc(C(=O)N2CC(n3cncn3)C2)cc(C=O)c1O,2.33,3.034154733022054,2.9914062500000007,1099,3,0,1.0
OADMET-0001492,CCOc1ccc2nc(N3CCCC(C(=O)Nc4cccc(C(C)=O)c4)C3)sc2c1,4.19,4.526389757792155,4.59815,401,0,0,1.0
OADMET-0001491,COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1OC,5.18,4.750849723815918,4.817948717948719,26,0,0,1.0
OADMET-0001490,COc1cccc(C(=O)Nc2cccc(OCc3cc(=O)n4cc(C)sc4n3)c2)c1,5.3,4.65333366394043,4.817948717948719,1098,0,1,2.0
OADMET-0001489,Cc1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1,4.09,5.0786848068237305,4.9999852507374625,1097,4,0,1.0
OADMET-0001488,Cn1cccc1Cc1nnc(SCC(=O)N2CCCCC2)n1CCc1ccccc1,5.22,5.307709217071533,5.067031249999999,1096,3,0,1.0
OADMET-0001487,COc1ccc(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1,3.76,5.638419469197591,5.284131355932205,1095,2,0,1.0
OADMET-0001486,Clc1ccc(Nc2c3c(nc4ccccc24)CCCC3)cc1,5.08,4.916141986846924,4.860652173913044,1094,1,0,1.0
OADMET-0001485,CCOc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1,5.78,4.944965998331706,4.988000000000001,1093,0,0,1.0
OADMET-0001484,COc1ccc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1,2.44,3.3621533711751304,3.4,1092,4,0,1.0
OADMET-0001482,Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCN(c3ccccc3)CC2)cc1C,5.67,5.222217400868733,5.026367187500001,1091,3,0,1.0
OADMET-0001481,CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(C)cc(C)c3)no2)cc1,4.41,5.045792738596599,4.9999852507374625,1090,2,0,1.0
OADMET-0001480,O=C(Nc1ccc(Cl)cc1)c1csc2c1CCCCC2,4.83,4.633962472279866,4.776467889908257,1089,1,0,1.0
OADMET-0001479,Cc1cc2cc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)c(=O)[nH]c2cc1C,4.61,4.524190266927083,4.59815,1088,0,0,1.0
OADMET-0001478,CCOc1ccc(CC(=O)N2CCC(CCOC)(NC(=O)Nc3cccc(C)c3)C2)cc1,5.04,4.710692564646403,4.817948717948719,400,1,0,1.0
OADMET-0001477,O=C(C1CCC1)N(Cc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)C1,5.33,5.439744472503662,5.262840909090909,1087,4,1,2.0
OADMET-0001476,COCCC1(NC(=O)c2ccc(F)cc2)CCN(C(=O)COc2cccc(C)c2)C1,4.38,4.807891050974528,4.821480836236933,400,1,0,1.0
OADMET-0001474,CCn1nc(C)c(CN2CCc3c(c(CCC(=O)N4CCCC4)nn3C)C2)c1C,2.86,4.347995281219482,4.47620253164557,43,4,0,1.0
OADMET-0001473,CCn1cc(C(=O)N2CCCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)cn1,2.52,4.183388710021973,4.355306748466257,43,4,1,2.0
OADMET-0001472,COc1cccc(NC(=O)N2CCCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)c1,3.57,4.5747354825337725,4.682475247524752,43,4,1,2.0
OADMET-0001471,CCOCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1,1.73,3.705963055292765,3.6602857142857137,1086,3,0,1.0
OADMET-0001470,CCCn1c(C)cnc1C1CCN(S(=O)(=O)c2cccc3cccnc23)C1,6.43,5.508370240529378,5.284131355932205,42,2,1,2.0
OADMET-0001469,CCOC(=O)c1ccc(CNC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)cc1,4.34,4.893646240234375,4.834642319277108,1085,2,0,1.0
OADMET-0001468,CCC(C)C(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)CS2(=O)=O,4.01,4.633163134256999,4.776467889908257,1084,1,1,2.0
OADMET-0001467,CC(C)C(=O)N(CCCN1CCCC1)C1CCCN(C(=O)COc2ccc(F)cc2)C1,3.87,4.546921253204346,4.682475247524752,43,4,1,2.0
OADMET-0001466,CCn1nc(C)c(CN2CCC(N(CCCN3CCCC3)C(=O)C(C)C)C2)c1C,3.16,3.9268506368001304,3.916360294117648,43,4,0,1.0
OADMET-0001465,Cc1noc(C)c1S(=O)(=O)N1CCC(N(CCCN2CCCC2)C(=O)C(C)C)C1,4.41,4.478839874267578,4.59815,43,4,1,2.0
OADMET-0001464,Cc1ccc(C(=O)N2CCC(N3C(=O)CCC3C(=O)NCc3ccccc3)CC2)s1,4.45,3.8013949394226074,3.8408219178082192,1083,0,0,1.0
OADMET-0001463,CC(=O)N(CCc1noc(C2CCC2)n1)C1CCN(C(=O)CN2CCCCCC2)C1,3.21,3.773833990097046,3.8408219178082192,192,2,1,2.0
OADMET-0001462,CC(=O)N(CCc1noc(C2CCC2)n1)C1CCN(C(=O)CCCc2ccccc2)C1,5.16,4.541299184163411,4.682475247524752,192,2,1,2.0
OADMET-0001461,CCC(CC)C(=O)N1CCC(N(CCc2noc(C3CCC3)n2)C(C)=O)C1,5.18,4.303019682566325,4.47620253164557,192,2,1,2.0
OADMET-0001460,O=C(NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1)c1ccc2[nH]cnc2c1,2.48,2.7545864582061768,2.795725806451613,70,0,1,2.0
OADMET-0001459,Cc1ncoc1C(=O)NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1,3.69,2.806973457336426,2.795725806451613,70,0,1,2.0
OADMET-0001458,Cn1cnc(C(=O)NCCN(C2CCOCC2)C2CCCN(C(=O)C3CC3)C2)c1,3.0,2.635000308354696,2.7054255319148934,70,0,0,1.0
OADMET-0001457,Cn1cnc(S(=O)(=O)NCCN(C2CCOCC2)C2CCCN(C(=O)C3CC3)C2)c1,2.9,3.133662303288778,3.0979268292682924,70,0,0,1.0
OADMET-0001456,CC(C)NC(=O)NCCN(C1CCOCC1)C1CCN(S(C)(=O)=O)CC1,3.16,3.2493533293406167,3.0979268292682924,1082,4,0,1.0
OADMET-0001454,COCCC1(C(N)=O)CCCN(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)C1,2.3,3.4480783939361572,3.4971951219512194,396,4,0,1.0
OADMET-0001453,COc1ccc(C2(C(=O)NCC3CN(CC(C)C)C(=O)CO3)CCCCC2)cc1,5.52,4.904014428456624,4.834642319277108,114,0,0,1.0
OADMET-0001452,CC(C)CN1CC(CNC(=O)c2nccc3ccccc23)OCC1=O,5.06,4.3710713386535645,4.477399999999999,114,0,0,1.0
OADMET-0001451,CC(C)CN1CC(CNC(=O)CCCc2c[nH]c3ccccc23)OCC1=O,5.04,4.121894836425781,4.164821428571428,114,0,0,1.0
OADMET-0001450,O=C(c1ccccn1)N1CCCC1CCc1noc(C2CC2)n1,3.66,4.813583215077718,4.821480836236933,109,1,1,2.0
OADMET-0001449,O=C(c1cncc(Br)c1)N1CCCC1CCc1noc(-c2cccnc2)n1,5.2,4.3554581006368,4.477399999999999,399,3,0,1.0
OADMET-0001448,CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1,4.54,3.2782018979390464,3.101637931034483,191,3,0,1.0
OADMET-0001447,O=C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CCCCCCN1,4.65,3.602100213368734,3.571791044776119,191,3,1,2.0
OADMET-0001446,Cn1ccnc1C(=O)N1CCC(C(=O)N2CCCCCCNC(=O)CC2)CC1,2.51,2.452864726384481,2.5691379310344833,191,3,1,2.0
OADMET-0001445,CCN1[C@@H]2CCCC[C@@]2(C(=O)NCCCN2CCCC2=O)CCS1(=O)=O,4.36,4.413824558258057,4.543097826086957,1081,3,0,1.0
OADMET-0001444,CO[C@H]1CN(C2CCN(C(=O)COCc3ccccc3)CC2)[C@H]1c1cccnc1,4.56,3.8942736784617105,3.916360294117648,398,3,0,1.0
OADMET-0001442,CCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCOCCNC(=O)CC1,3.69,3.285050551096598,3.101637931034483,1080,2,0,1.0
OADMET-0001441,Cc1cccc(OCCc2noc(C3CN(C(=O)c4ccsc4)C3)n2)c1,5.05,4.829866886138916,4.821480836236933,113,3,0,1.0
OADMET-0001440,COc1ccc(C(=O)N2CC(c3nc(CCOCC4CC4)no3)C2)cc1,4.59,4.5053450266520185,4.59815,113,3,0,1.0
OADMET-0001439,Cc1ccccc1S(=O)(=O)N1CC(c2nc(CCN(C)C(=O)C3CCOCC3)no2)C1,5.33,4.761382897694905,4.817948717948719,1079,1,0,1.0
OADMET-0001438,CCn1cc(CN2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)ccc1=O,1.67,2.5514488220214844,2.5691379310344833,190,4,0,1.0
OADMET-0001437,Cc1noc(C)c1CNC(=O)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2,4.53,4.20235029856364,4.355306748466257,1078,0,1,2.0
OADMET-0001436,CCOCCCNC(=O)CN1C(=O)C(Oc2ccc(F)cc2)C12CCCCC2,5.35,4.609862168629964,4.776467889908257,1077,4,0,1.0
OADMET-0001435,O=C(c1ccncc1)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccncc2)CC1,3.09,3.2839811642964682,3.101637931034483,1076,3,1,2.0
OADMET-0001434,OCC1CN(c2ncccn2)CC12CCN(Cc1cccc3[nH]ccc13)CC2,2.86,3.5603835582733154,3.5503846153846155,1075,2,0,1.0
OADMET-0001433,CNC(=O)c1cc[nH]c1C1CCCN(C(=O)CN2CCCC2=O)C1,2.36,3.6428071657816568,3.571791044776119,1074,1,0,1.0
OADMET-0001432,Oc1ccc(CN2CCCCC2c2nc(CCOCC3CC3)no2)cc1,4.61,4.549001852671306,4.682475247524752,113,3,0,1.0
OADMET-0001431,CCCNC(=O)N1CCC2(CC1)N(C1CCCC1)C(=O)CS2=O,3.64,3.695330540339152,3.6602857142857137,1073,0,1,2.0
OADMET-0001430,CCC(C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1,4.92,4.2329475084940595,4.355306748466257,1072,4,0,1.0
OADMET-0001429,COc1ccc(NC(=O)N2CCn3nnc(CCC(=O)N4CCCC4)c3C2)cc1,3.34,3.55452831586202,3.5503846153846155,1071,3,0,1.0
OADMET-0001427,CCOCCCNC(=O)N1CCC(Cc2nnc(-c3ccccc3)[nH]2)CC1,4.79,4.087230682373047,4.164821428571428,189,2,0,1.0
OADMET-0001426,CN1C(=O)c2cccn2CC1CNC(=O)CCc1c[nH]c2ccccc12,4.87,4.280860265096028,4.355306748466257,114,0,0,1.0
OADMET-0001425,CCC(=O)N1CCC(Oc2ccccc2-c2nc(C3CC3)no2)C1,5.15,4.811794916788737,4.821480836236933,397,4,0,1.0
OADMET-0001424,CCOC(=O)c1ccc(NC(=O)CC2CCCCN(C)C2=O)cc1,4.98,4.161709467569987,4.355306748466257,1070,2,1,2.0
OADMET-0001423,COCCNC(=O)CN1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1,1.88,2.7257922490437827,2.7054255319148934,1069,1,0,1.0
OADMET-0001422,O=C(CCc1c[nH]c2ccccc12)N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1,4.77,4.031054576237996,4.092280701754386,14,1,0,1.0
OADMET-0001420,CCOc1ccc(CN2C[C@@H]3C(=O)N(CCN4CCc5ccccc5C4)C(=O)[C@@H]3C2)cc1,5.19,3.5773255825042725,3.571791044776119,1068,2,1,2.0
OADMET-0001419,N#Cc1ccc(CN2CCc3nc(N4CCc5ccccc5C4)[nH]c(=O)c3CC2)cc1,3.61,3.607302268346151,3.571791044776119,1067,3,0,1.0
OADMET-0001418,CN(Cc1cccnc1)c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(F)c(Cl)c1)CC2,4.24,3.5658723513285318,3.571791044776119,376,2,0,1.0
OADMET-0001417,COc1ccc(CC(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@@H](CO)C2)cc1,3.38,3.6035494009653726,3.571791044776119,183,3,1,2.0
OADMET-0001416,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2nnc3n2CCCC3)cc1,4.71,4.364737351735433,4.477399999999999,1066,4,0,1.0
OADMET-0001415,COc1ccc(-c2nc(CC3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)no2)cc1,3.83,4.437496026357015,4.543097826086957,1065,2,0,1.0
OADMET-0001414,Cn1nc(C2CCCN(C(=O)C3CCC3)C2)n(C2CCCC2)c1=O,4.86,4.302167097727458,4.47620253164557,1064,1,0,1.0
OADMET-0001413,O=C(c1ccc2[nH]ccc2c1)N1CCC(Cc2nncn2Cc2ccccc2)C1,3.4,4.230671723683675,4.355306748466257,190,4,0,1.0
OADMET-0001412,O=C(c1ccc2cc[nH]c2c1)N1CCC(Cc2nncn2Cc2ccccc2)C1,4.11,4.492379188537598,4.59815,190,4,0,1.0
OADMET-0001410,CCn1cc(S(=O)(=O)NC[C@@]23CCC[C@H]2N(CCOC)C(=O)CC3)cn1,4.8,4.3650407791137695,4.477399999999999,42,2,1,2.0
OADMET-0001409,CCCN1C(=O)CC[C@]2(CNC(=O)c3noc(C)c3COC)CCC[C@@H]12,4.1,5.020847638448079,4.998154761904762,42,2,1,2.0
OADMET-0001408,CCCN1C(=O)CC[C@]2(CNC(=O)c3cc(C4CC4)[nH]n3)CCC[C@@H]12,5.27,5.0910905202229815,4.9999852507374625,42,2,1,2.0
OADMET-0001407,O=C(Nc1ccccc1)c1ccc(N2CCC(NCc3ccc(O)cc3)C2)nc1,3.2,3.6150313218434653,3.571791044776119,1063,0,0,1.0
OADMET-0001406,CCCN1C(=O)CC[C@]2(CNS(=O)(=O)c3cccc4cccnc34)CCC[C@@H]12,5.86,5.792092959086101,5.284131355932205,42,2,1,2.0
OADMET-0001405,CCCN1C(=O)CC[C@]2(CNC(=O)c3n[nH]c4ccccc34)CCC[C@@H]12,5.8,5.057198683420817,4.9999852507374625,42,2,1,2.0
OADMET-0001404,CCOCCCNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1,4.09,3.3197238445281982,3.101637931034483,189,2,0,1.0
OADMET-0001403,O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2cccc(Cl)c2)CC1,4.05,4.002765814463298,4.043714285714285,394,3,1,2.0
OADMET-0001402,CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2F)CC1,4.39,4.707711696624756,4.817948717948719,1062,4,1,2.0
OADMET-0001401,CCNc1cc(N2CCCC(CCC(=O)N3CCN(C(=O)OCC)CC3)C2)ncn1,3.49,2.8974382082621255,2.795725806451613,1061,3,1,2.0
OADMET-0001400,CCCN(C)c1nccnc1OC1CCN(C(=O)C(C)C)C1,4.99,4.618020216623942,4.776467889908257,1060,2,0,1.0
OADMET-0001399,COc1ccccc1CCC(=O)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1,5.01,5.713634173075358,5.284131355932205,1059,1,0,1.0
OADMET-0001398,Cc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)cc1,1.66,4.14331595102946,4.311111111111112,1058,0,0,1.0
OADMET-0001397,CNc1ccc(OC2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)nc1,4.38,4.1167213916778564,4.164821428571428,396,4,0,1.0
OADMET-0001396,Cc1ccc(CN2CC(C(=O)N3CCCn4nc(-c5ccccc5)cc4C3)CC2=O)cc1,5.48,4.693811257680257,4.817948717948719,395,3,0,1.0
OADMET-0001395,Cc1ccc(S(=O)(=O)NC(C(=O)NCc2n[nH]c3ccccc23)C(C)C)cc1,5.48,5.562712669372559,5.284131355932205,1057,4,0,1.0
OADMET-0001394,CC(NC(=O)Cc1c(F)cccc1Cl)C(=O)N1CCN(c2ccccn2)CC1,4.74,4.072282791137695,4.092280701754386,219,2,0,1.0
OADMET-0001393,CCC(=O)Nc1ccc(C)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O,3.04,4.323767344156901,4.47620253164557,394,3,1,2.0
OADMET-0001392,Cc1cccc(CNC(=O)c2ccc(-c3nnc4ccc(NC(=O)C5CCC5)cn34)cc2)c1,2.85,4.484401861826579,4.59815,1056,3,0,1.0
OADMET-0001391,CCOc1cc(=O)c(C(=O)N2CCN(CC(C)C)CC2)nn1-c1ccc(C)cc1,4.33,3.839041312535604,3.916360294117648,1055,2,0,1.0
OADMET-0001390,CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3ccc4oc(C)nc4c3)C2)cc1,1.75,2.1270243326822915,2.31875,393,2,1,2.0
OADMET-0001388,O=C(CCc1nc2ccccc2s1)NC1CCN(C(=O)N2C[C@H]3C[C@@H](C2)[C@H]2CCCC(=O)N2C3)CC1,6.14,4.203927357991536,4.355306748466257,1054,1,1,2.0
OADMET-0001387,CC(=O)N1CCc2cc(N3CC(C(=O)NCc4ccc(F)cc4F)CC3=O)ccc21,1.63,3.9410885175069175,3.916360294117648,128,0,1,2.0
OADMET-0001385,CCC(=O)NCc1csc(C2CCCN(C(=O)c3ccccc3OC)C2)n1,4.75,4.928680260976155,4.888,188,0,0,1.0
OADMET-0001384,CCOC(=O)N1CCN(C(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)CC1,1.71,3.527036190032959,3.4971951219512194,1053,0,1,2.0
OADMET-0001383,CS(=O)(=O)N(Cc1ccccn1)C1CN(C(=O)CCc2c[nH]c3ccccc23)C1,3.93,4.234288215637207,4.355306748466257,392,1,0,1.0
OADMET-0001382,O=C(C1CCCCC1)N1CC(N(Cc2ccccn2)C(=O)Nc2ccccc2)C1,4.76,4.512547492980957,4.59815,391,0,0,1.0
OADMET-0001381,CCN(Cc1ccncc1)C1CN(C(=O)c2ccn(CC)n2)C1,4.44,2.823805014292399,2.795725806451613,187,3,1,2.0
OADMET-0001380,CCN(Cc1ccncc1)C1CN(C(=O)CC2CCN(C(C)=O)CC2)C1,2.42,2.640486478805542,2.7054255319148934,187,3,1,2.0
OADMET-0001379,CCn1nccc1C(=O)N1CC(N(Cc2ccncc2)CC(C)C)C1,4.88,3.6168662707010903,3.571791044776119,187,3,1,2.0
OADMET-0001377,C=CCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)C1,3.19,3.069051504135132,2.9914062500000007,1052,3,1,2.0
OADMET-0001376,CCC(=O)NCCc1csc(C2CCN(C(=O)c3ccccc3F)CC2)n1,3.92,3.7255478700002036,3.8408219178082192,188,0,1,2.0
OADMET-0001375,Cc1nnc2c(=O)n(CC(=O)NC3CCCC3)c3cccnc3n12,3.39,4.00783356030782,4.043714285714285,1051,4,0,1.0
OADMET-0001374,O=C(Cn1c(N2CCCCC2)nc2ccccc2c1=O)NCc1cccc(Cl)c1,5.25,5.514434337615967,5.284131355932205,1050,2,0,1.0
OADMET-0001373,CCCCNC(=O)c1cn(CCC)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,4.38,4.894017696380615,4.834642319277108,1049,1,0,1.0
OADMET-0001372,O=C(c1ccc2c(c1)CN(C(=O)c1ccc3ncccc3c1)CCO2)N1CCCC1,3.41,3.788100004196167,3.8408219178082192,1048,0,1,2.0
OADMET-0001371,CC(CNC(=O)CCn1c(N2CCCCC2)nc2ccsc2c1=O)c1ccccc1,5.14,5.754823207855225,5.284131355932205,1047,4,0,1.0
OADMET-0001370,CC(C)n1c(=O)n(CC(=O)NCCCc2ccccc2)c2cc(S(=O)(=O)N3CCCC3)ccc21,5.26,4.98202387491862,4.988000000000001,1046,3,0,1.0
OADMET-0001369,CCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccc(OC)cc1)C(C(=O)N(C)C)C2,4.26,4.411087354024251,4.543097826086957,1045,2,0,1.0
OADMET-0001368,Cc1cccc(-c2noc(C3CCCN3C(=O)C(C)NC(=O)c3ccccc3)n2)c1,5.6,4.930899620056152,4.888,390,0,1,2.0
OADMET-0001367,COc1cccc(-c2nc(C3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)no2)c1,5.43,5.307997862497966,5.067031249999999,1044,1,0,1.0
OADMET-0001366,Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(CC(=O)N2CCCC2)CS3)c(C)c1,5.2,4.777273178100586,4.821480836236933,1043,0,0,1.0
OADMET-0001365,CCOC(=O)c1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)c1,4.8,4.816324075063069,4.821480836236933,1042,4,0,1.0
OADMET-0001364,Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCCc4ccccc4)n3)c2c1,5.09,4.352728684743245,4.47620253164557,1041,3,0,1.0
OADMET-0001363,COCc1nc(CNC(=O)CSc2nc3cc(C)ccc3[nH]2)no1,3.57,3.331077496210734,3.101637931034483,389,4,0,1.0
OADMET-0001362,CCCn1cc(NC(=O)NC(C)c2ccc(-n3cncn3)cc2)nn1,3.53,3.6325689951578775,3.571791044776119,1040,2,0,1.0
OADMET-0001361,COCCn1ccnc1CN1CCC(NS(C)(=O)=O)CC1,3.55,2.87898842493693,2.795725806451613,1039,1,0,1.0
OADMET-0001360,Cn1ncc(CN2CCC(N3CCC(O)CC3)CC2)c1C1CC1,3.02,2.7472317218780518,2.795725806451613,1038,0,0,1.0
OADMET-0001359,CC(Cn1cncn1)NCC1(c2cccc(F)c2)CCCC1,4.38,5.0299727121988935,4.9999852507374625,1037,3,0,1.0
OADMET-0001358,CC(=O)c1cc(CN2CCC3(CC2)CN(CC(C)c2ccccc2)C(=O)O3)cs1,3.43,4.013753175735474,4.043714285714285,1036,0,0,1.0
OADMET-0001357,CCc1cc(-c2ccnn2C)nc(N(C)C)n1,3.38,4.29541015625,4.355306748466257,1035,0,0,1.0
OADMET-0001356,COc1ccc(NC(=O)NC(C)c2cnn(C)c2)cc1NS(C)(=O)=O,3.94,3.0622138182322183,2.9914062500000007,171,1,0,1.0
OADMET-0001355,CCc1ccc(CN(C)Cc2ccc(CN3CCCCC3)s2)nc1,3.78,4.513481458028157,4.59815,1034,3,0,1.0
OADMET-0001354,COc1cc(-c2ccc(C(C)N3CCCC3)cc2)nc(N)n1,3.62,3.787858009338379,3.8408219178082192,1033,3,0,1.0
OADMET-0001353,CC(C)[C@@H]1CN(C(=O)c2ncn[nH]2)C[C@H]1NS(=O)(=O)N(C)C,3.24,3.8788699309031167,3.916360294117648,355,4,0,1.0
OADMET-0001352,CCc1nnc(CNC(=O)Nc2cc3c(cc2OC)n(C)c(=O)n3C)s1,2.61,3.586095094680786,3.571791044776119,106,2,1,2.0
OADMET-0001351,CCCCN(Cc1ccc(F)cc1)Cc1cc(O)c(OC)cn1,4.55,4.405646642049153,4.543097826086957,1032,2,0,1.0
OADMET-0001350,COc1ncccc1-c1ncc(C)c(N(C)C)n1,3.7,4.641920407613118,4.776467889908257,1031,1,0,1.0
OADMET-0001349,COc1ccc(CC(=O)N2CCC(CNC(=O)CCn3nnnc3C)CC2)cc1,3.36,3.5305909315745034,3.5503846153846155,384,4,0,1.0
OADMET-0001347,CN(Cc1noc(C2CCCC2)n1)Cc1nc2ccc(F)cc2[nH]1,4.64,4.397140185038249,4.543097826086957,1030,0,0,1.0
OADMET-0001346,Cc1cc(C(=O)N(CCOc2ccccc2)CC2CCCO2)ccc1N1CCOCC1,4.38,4.699476877848308,4.817948717948719,1029,4,0,1.0
OADMET-0001345,C[C@H](N)C(=O)Nc1ccccc1CN1CCOCC1,3.28,3.3251951535542807,3.101637931034483,1028,3,0,1.0
OADMET-0001344,Cc1cc(C(=O)NCc2nc(N)nc(N(C)C)n2)c(-c2ccccc2)o1,4.08,4.730122089385986,4.817948717948719,343,2,0,1.0
OADMET-0001343,Cc1cc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)n(C2CCCC2)n1,3.71,3.4520510037740073,3.4971951219512194,324,4,1,2.0
OADMET-0001342,Cc1cc(C)n(CCN(C)C(=O)c2cccc(-c3cncc(C(=O)O)n3)c2)n1,1.81,3.5078159173329673,3.4971951219512194,387,1,0,1.0
OADMET-0001341,O=C(NCc1cc(-c2ccco2)on1)[C@H]1CNC[C@@H](C(=O)N2CCOCC2)C1,3.44,2.6005709171295166,2.7054255319148934,388,3,1,2.0
OADMET-0001340,Cc1ccn(CCCNc2cc(C(C)C)ncn2)n1,3.16,3.385789473851522,3.4971951219512194,1027,2,0,1.0
OADMET-0001339,O=C(N[C@@H]1CCN(C(=O)CCc2ccc(=O)[nH]n2)C[C@H]1O)c1ccccc1,2.05,2.4343345959981284,2.5691379310344833,183,3,0,1.0
OADMET-0001338,Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3snnc3C)c2)n1,4.87,4.891313393910726,4.821480836236933,387,1,0,1.0
OADMET-0001337,CCc1csc(CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)n1,4.99,5.052441755930583,4.9999852507374625,1026,1,0,1.0
OADMET-0001336,CCc1cn[nH]c1C1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,4.96,4.543745358784993,4.682475247524752,1025,0,0,1.0
OADMET-0001335,COc1ccc(NC2(C(=O)NCc3noc(C4CC4)n3)CCCCC2)cc1,4.74,4.969960530598958,4.988000000000001,68,2,1,2.0
OADMET-0001334,CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cc(=O)[nH]c(=O)[nH]1,3.49,2.4231062730153403,2.5691379310344833,1024,4,0,1.0
OADMET-0001333,CC(C)Nc1ncc(C(=O)NC2CCSC2)cn1,3.73,4.3034359614054365,4.47620253164557,1023,3,0,1.0
OADMET-0001332,CN1CCN(C(=O)CSCc2ccccc2Cl)[C@H]2CS(=O)(=O)C[C@H]21,4.69,4.64320691426595,4.776467889908257,1022,1,0,1.0
OADMET-0001331,CC(C)(C)c1cc(CNC(=O)C2CCC(=O)NC(=O)N2)[nH]n1,3.09,2.839782396952311,2.795725806451613,382,1,0,1.0
OADMET-0001330,O=C(c1ccc(-c2cccnc2)nc1)N1CCCC(c2ccccc2)CC1,4.56,4.610787073771159,4.776467889908257,386,0,0,1.0
OADMET-0001329,CN1CCN(Cc2nnc(C3CCN(C(=O)Cn4ncnn4)CC3)n2C)CC1,3.05,2.5635562737782798,2.5691379310344833,1021,4,0,1.0
OADMET-0001328,c1ccc(COC2CCN(Cc3cc(CN4CCCC4)cs3)CC2)cc1,3.67,3.134568134943644,3.0979268292682924,1020,0,0,1.0
OADMET-0001327,Nc1nnnn1CC(=O)N1CCC(Oc2cccnc2)CC1,1.91,2.4695403575897217,2.5691379310344833,1019,4,0,1.0
OADMET-0001326,COCCN(Cc1cc(C(C)C)on1)Cc1ccccc1Cl,4.8,5.1557191212972,4.9999852507374625,1018,3,0,1.0
OADMET-0001325,CN(Cc1ccc(-c2cc[nH]n2)o1)C1CCSCC1,3.98,3.904329776763916,3.916360294117648,1017,2,0,1.0
OADMET-0001324,O=S(=O)(N1CCCCC1)N1CCCN(Cc2c[nH]cn2)CC1,3.39,4.181874990463257,4.355306748466257,1016,1,0,1.0
OADMET-0001323,O=C(NCCc1noc(C2CC2)n1)c1nc2ccccc2[nH]c1=O,3.58,3.900266647338867,3.916360294117648,109,1,0,1.0
OADMET-0001322,Nc1nnnn1CC(=O)NCCc1noc(-c2ccccc2)n1,2.55,3.3475181261698403,3.101637931034483,179,2,0,1.0
OADMET-0001321,Cc1cccc2[nH]c(C3CCCN3C(=O)c3c[nH]c(=O)[nH]3)nc12,2.59,3.1875569025675454,3.0979268292682924,1015,0,0,1.0
OADMET-0001320,Cc1nn(C)c(C)c1CCC(=O)NC(C)c1nnc(CC(=O)O)[nH]1,2.51,2.5543152491251626,2.5691379310344833,186,1,0,1.0
OADMET-0001319,CCc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)[nH]1,3.69,3.5862416426340737,3.571791044776119,1014,4,0,1.0
OADMET-0001318,Cc1ncsc1CN(Cc1ccccc1)C(=O)NC1CCCCC1,4.66,4.962494691212972,4.988000000000001,1013,3,0,1.0
OADMET-0001317,CC(C)(O)CCc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1,3.25,3.240349054336548,3.0979268292682924,1012,2,1,2.0
OADMET-0001316,Nc1nnc(CCNC(=O)C2CCN(C(=O)C3CCCO3)CC2)s1,2.36,2.570082505544027,2.5691379310344833,1011,1,0,1.0
OADMET-0001315,CN(C)Cc1ccccc1CN(C)C(=O)c1ccc(-c2cccc(F)c2)cc1,4.46,4.5547111829121905,4.682475247524752,1010,0,0,1.0
OADMET-0001314,CCCOc1cccc(-c2nccnc2NC)c1,3.43,4.2667342821757,4.355306748466257,1009,4,1,2.0
OADMET-0001313,CCc1nc(CN2CCC(n3nc(C)cc3C)C2)no1,3.53,4.048549652099609,4.092280701754386,374,3,0,1.0
OADMET-0001312,c1ccc(OCCN2CCN(Cc3ccc(C4CCCO4)s3)CC2)cc1,3.53,3.702540556589762,3.6602857142857137,1008,2,0,1.0
OADMET-0001311,CCCn1ncnc1C(C)NC(=O)c1cc(C)oc1C,3.81,3.659956216812134,3.575,1007,0,0,1.0
OADMET-0001308,CCCc1nc(C)c(CNC(=O)Cn2nnnc2N)s1,3.23,2.8235374291737876,2.795725806451613,111,3,0,1.0
OADMET-0001307,Cc1ccccc1CNC(=O)CN1CCN(c2ccnc3nncn23)CC1,3.03,2.7441306908925376,2.795725806451613,1006,0,0,1.0
OADMET-0001306,Cc1ccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1,3.56,4.905874729156494,4.834642319277108,1005,1,1,2.0
OADMET-0001305,CCc1noc(C)c1C(=O)N1CCC(N2CCSCC2)CC1,3.17,3.0714738368988037,2.9914062500000007,1004,0,1,2.0
OADMET-0001304,Cc1nc(-c2ccc(C(C)N3CCOCC3)cc2)n(C)n1,2.56,3.3470048904418945,3.101637931034483,1003,4,0,1.0
OADMET-0001303,COc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)c1,4.15,4.787492911020915,4.821480836236933,1002,3,0,1.0
OADMET-0001302,c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,3.94,4.083028554916382,4.092280701754386,1001,2,0,1.0
OADMET-0001301,CC(Cc1cccs1)NC(=O)c1cccc(Cn2cccn2)c1,4.68,4.897645473480225,4.834642319277108,385,2,1,2.0
OADMET-0001300,Cc1nc(CCNC(=O)N(C)[C@@H]2CS(=O)(=O)C[C@H]2O)nc2c1CCC2,3.18,2.994219700495402,2.811071428571428,1000,1,0,1.0
OADMET-0001299,Fc1ccccc1CCC1CCCN(c2nnnn2-c2ccccc2)C1,4.92,5.096515973409017,4.9999852507374625,999,0,0,1.0
OADMET-0001297,CNC(=O)CC1C(=O)NCCN1C(=O)NCc1nc2cc(F)ccc2[nH]1,2.6,2.301093896230062,2.4937500000000004,998,4,0,1.0
OADMET-0001296,Cc1nnnn1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1,2.71,3.79314390818278,3.8408219178082192,384,4,0,1.0
OADMET-0001295,Cc1ccc(C(=O)NC(c2nccn2C)C(C)C)s1,4.6,4.9770612716674805,4.988000000000001,997,3,0,1.0
OADMET-0001294,O=C(O)c1csc(CCNC(=O)N2CCOc3ccc(CO)cc3C2)n1,2.34,2.367304007212321,2.4937500000000004,996,2,0,1.0
OADMET-0001293,CCSc1ccccc1NC(=O)c1cscn1,4.19,4.716411749521892,4.817948717948719,353,1,1,2.0
OADMET-0001292,Cc1nc2cc(C(=O)N3CC(Oc4ccccc4Cl)C3)ccc2s1,3.68,4.014387130737305,4.043714285714285,995,1,1,2.0
OADMET-0001290,CCCCC(=O)Nc1ccc(C(=O)NCCc2nnc(N)s2)cc1,3.41,3.237131118774414,3.0979268292682924,176,0,0,1.0
OADMET-0001289,COc1ccc2c(c1)CC(C(=O)NCc1nnnn1-c1ccccc1)CO2,4.21,4.328201611836751,4.47620253164557,112,4,0,1.0
OADMET-0001288,O=C(NCc1nc(-c2ncccn2)no1)C1CC(=O)N(Cc2ccncc2)C1,2.76,2.75121275583903,2.795725806451613,994,4,0,1.0
OADMET-0001287,CC(=O)c1ccc(-c2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)nc1,2.5,2.9536032676696777,2.811071428571428,993,2,0,1.0
OADMET-0001286,COc1ccccc1-n1c(SCC(=O)O)nnc1C1CCOCC1,2.39,3.646644671758016,3.571791044776119,992,3,0,1.0
OADMET-0001284,CCOc1c(CN(C)Cc2nc(C(N)=O)no2)cccc1OC,3.35,3.6916699409484863,3.6602857142857137,991,2,0,1.0
OADMET-0001283,Cn1nc2cccc(S(=O)(=O)NCCCc3csc(N)n3)c2n1,4.0,3.8292012214660645,3.916360294117648,366,0,0,1.0
OADMET-0001282,COCCCn1cnnc1CNC(=O)Cn1ccccc1=O,2.37,2.7447145779927573,2.795725806451613,381,2,0,1.0
OADMET-0001281,CN(C)CCN1CC2(CCN(C(=O)CCCS(N)(=O)=O)CC2)OC1=O,2.28,2.4276540279388428,2.5691379310344833,990,1,0,1.0
OADMET-0001280,COCCn1cncc1CN1CCN(S(C)(=O)=O)CC1,3.14,3.1220240592956543,3.0979268292682924,989,0,0,1.0
OADMET-0001279,CCCOC1CCCN(C(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1,4.83,4.342782656351726,4.47620253164557,988,4,0,1.0
OADMET-0001278,Nc1nc(-c2ccccc2C(=O)O)cc(N2CCOCC2)n1,2.56,2.1387792428334556,2.353951612903226,987,3,0,1.0
OADMET-0001277,CCc1cc(NCCCn2ccnc2)n2nccc2n1,1.61,3.5128923257191977,3.4971951219512194,986,2,0,1.0
OADMET-0001276,Fc1ccc(-c2n[nH]cc2CN(Cc2cccnc2)Cc2cccnc2)cc1,4.6,3.982727289199829,4.031000000000001,985,1,0,1.0
OADMET-0001275,Cc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)c(C)c1,3.8,4.306476910909017,4.47620253164557,69,0,1,2.0
OADMET-0001274,CNC(=O)c1ccc(S(=O)(=O)NCc2nonc2C)cc1,3.68,3.697617689768473,3.6602857142857137,341,4,0,1.0
OADMET-0001273,CSc1ncc(CNC(=O)Cn2nnnc2N)n1C,3.39,2.5783063570658364,2.5691379310344833,383,1,0,1.0
OADMET-0001272,O=C(NCCCn1ccnn1)C1Cc2ccccc2O1,2.95,4.039031823476155,4.092280701754386,185,4,0,1.0
OADMET-0001270,Cc1cc(C)nc(SCc2ccc(C(=O)NCc3noc(C4CC4)n3)o2)n1,4.39,4.726729393005371,4.817948717948719,182,3,1,2.0
OADMET-0001268,CCCn1cc(NC(=O)NCCn2c(C)cc(C)nc2=O)nn1,2.43,2.9022251764933267,2.795725806451613,984,0,0,1.0
OADMET-0001267,Cn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O,3.29,2.5904219150543213,2.7054255319148934,382,1,0,1.0
OADMET-0001266,CCN1CCN(C(=O)NC(C)c2nncn2CCCOC)CC1,2.79,2.550126870473226,2.5691379310344833,381,2,0,1.0
OADMET-0001264,Cn1cccc1CCC(=O)N1CCCN(C2CCCC2)CC1,2.91,4.355457941691081,4.47620253164557,983,4,0,1.0
OADMET-0001263,CC(c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1,4.5,5.081428686777751,4.9999852507374625,982,3,1,2.0
OADMET-0001262,CN(C)c1ccc(CCC(=O)NCc2noc(C(N)=O)n2)cc1,3.18,3.04151717821757,2.9914062500000007,69,0,0,1.0
OADMET-0001261,CN1CC(=O)N(CC(=O)Nc2cccc(NC(=O)c3cccnc3)c2)C1=O,3.15,2.820291837056478,2.795725806451613,380,3,1,2.0
OADMET-0001260,COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCS(=O)(=O)CC2)c1,3.37,3.6754438082377114,3.6602857142857137,981,1,1,2.0
OADMET-0001259,Cc1ccc(CN2CCC(CNC(=O)c3n[nH]nc3C)CC2)o1,2.88,2.810609499613444,2.795725806451613,980,3,0,1.0
OADMET-0001258,Cc1cnc2c(C(=O)Nc3ccc(Oc4nnn[nH]4)cc3)cnn2c1,1.64,1.8838249444961548,2.2079999999999997,66,3,1,2.0
OADMET-0001257,Cc1nc(CN2CC[C@@H](Nc3ncccc3C#N)[C@H](O)C2)cs1,3.77,4.068234046300252,4.092280701754386,979,2,0,1.0
OADMET-0001256,CSCc1ccc(C(=O)NC2CCS(=O)(=O)CC2)o1,3.21,3.8432087898254395,3.916360294117648,978,1,0,1.0
OADMET-0001255,CCN1CC(C(=O)NCCCc2nc(C)c(C)s2)CC1=O,3.39,3.5352958043416343,3.5503846153846155,342,3,1,2.0
OADMET-0001254,COc1cc(C)c(C)cc1S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C1,5.05,4.584613800048828,4.682475247524752,977,2,0,1.0
OADMET-0001253,OCC1CCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1,4.36,4.29812224706014,4.47620253164557,976,1,0,1.0
OADMET-0001252,Cc1n[nH]c(SCC(=O)N(C)Cc2nc(-c3ccncc3)no2)n1,3.73,2.476155440012614,2.5691379310344833,354,0,0,1.0
OADMET-0001251,Cc1nccn1CC1CCCN(S(=O)(=O)N(C)C(C)C)C1,4.47,4.324852466583252,4.47620253164557,975,0,0,1.0
OADMET-0001250,Cn1cc(S(=O)(=O)NCc2nncn2CCc2ccccc2)c(=O)n(C)c1=O,3.09,3.9537598292032876,3.916360294117648,974,4,0,1.0
OADMET-0001248,CC(C)c1cc(C(=O)NCCc2nnc(N)s2)nc(N)n1,3.28,2.542431195576986,2.5691379310344833,176,0,1,2.0
OADMET-0001247,CCCc1noc(CN(C)C(=O)NC2CCS(=O)(=O)C2)n1,3.55,3.2108325958251953,3.0979268292682924,347,2,0,1.0
OADMET-0001246,Nc1nnc(SCC(=O)NCc2csc(-c3ncccn3)n2)s1,2.77,3.3360556761423745,3.101637931034483,973,3,0,1.0
OADMET-0001245,Cc1ccccc1C1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1,2.84,3.76001771291097,3.8408219178082192,972,2,0,1.0
OADMET-0001244,CCc1ocnc1C(=O)N1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21,2.8,2.680370569229126,2.7054255319148934,971,1,0,1.0
OADMET-0001243,Cc1cc(N2CCN(C(=O)CC3C=CCC3)CC2)nc(N)n1,3.03,3.3762611548105874,3.4971951219512194,970,0,0,1.0
OADMET-0001242,O=C(NCCCc1nnn[nH]1)c1[nH]nc2c1CCC2,2.62,2.297048330307007,2.4937500000000004,337,2,0,1.0
OADMET-0001241,O=Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O,1.66,3.504805564880371,3.4971951219512194,969,4,1,2.0
OADMET-0001240,Cc1cc(OCc2ccc(C=O)o2)ccc1[N+](=O)[O-],3.38,2.930245558420817,2.811071428571428,379,4,0,1.0
OADMET-0001239,O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,7.54855421686747,4.894663651784261,4.834642319277108,968,3,0,1.0
OADMET-0001238,CNC(=O)C1(NC(=O)c2nccn2C)CCCCC1,3.33,3.326279799143473,3.101637931034483,967,2,0,1.0
OADMET-0001237,Cc1cccc(OC2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)c1,3.94,3.929925282796224,3.916360294117648,57,0,1,2.0
OADMET-0001236,Cn1nnnc1SCCNC(=O)c1nc(=O)[nH]c2ccccc12,2.57,3.085056702295939,2.9914062500000007,358,3,0,1.0
OADMET-0001235,Cc1nnnn1-c1ccc(NS(=O)(=O)NCc2ccccc2)cc1,3.35,3.472496668497721,3.4971951219512194,966,1,0,1.0
OADMET-0001234,CN(CC(=O)O)Cc1cc2ccccc2n(C)c1=O,4.11,3.3999478022257485,3.4971951219512194,378,1,0,1.0
OADMET-0001233,COc1ccc2oc(CNC(=O)[C@H]3CCC[C@@H](O)C3)nc2c1,3.4,2.7837847073872886,2.795725806451613,965,0,0,1.0
OADMET-0001232,CCNc1ncc(CN2CCC(C(=O)O)CC2)cn1,3.35,2.458651542663574,2.5691379310344833,964,4,0,1.0
OADMET-0001231,Cc1cc(C)cc(N2CCN(C(=O)c3ccccc3-n3cncn3)CC2=O)c1,3.95,4.880581378936768,4.821480836236933,963,3,1,2.0
OADMET-0001230,CCC(NS(=O)(=O)N1CCOCC1)c1nc(C)c[nH]1,4.19,3.1800310611724854,3.0979268292682924,962,2,1,2.0
OADMET-0001229,CCc1nnc(CN(CC)C(=O)CC2CCOC2)o1,3.49,3.02254056930542,2.9914062500000007,961,1,0,1.0
OADMET-0001228,CS(=O)(=O)CCC(=O)N1C[C@H]2CC[C@H]1C2,2.71,5.131366570790608,4.9999852507374625,960,0,1,2.0
OADMET-0001227,CN(Cc1ccc2nonc2c1)C(=O)N[C@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1,2.79,2.4047407309214273,2.4937500000000004,959,4,0,1.0
OADMET-0001226,O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1cnco1,3.19,2.6809895038604736,2.7054255319148934,958,3,0,1.0
OADMET-0001225,CCc1nc(CNC(=O)c2ccc3nnnn3c2)cs1,3.52,2.4814067681630454,2.5691379310344833,371,0,0,1.0
OADMET-0001224,CCc1noc(C(C)NC(=O)c2cnc(N)nc2-c2ccccc2)n1,3.76,4.028661568959554,4.043714285714285,957,2,0,1.0
OADMET-0001223,Nc1nc(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1,2.9,2.6158626079559326,2.7054255319148934,370,1,0,1.0
OADMET-0001222,COc1ccccc1OC1CN(CC(C)(C)CN2CCOCC2)C1,3.19,4.832326253255208,4.821480836236933,956,1,0,1.0
OADMET-0001221,Cc1ccc(CN2CCNC(=O)C2CC(=O)N2CCC3(CC2)COC(=O)O3)o1,2.97,3.630875031153361,3.571791044776119,955,0,0,1.0
OADMET-0001220,CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N(C)CCO)c2)cn1,3.16,3.540620803833008,3.5503846153846155,954,4,0,1.0
OADMET-0001219,CC(C)n1ccnc1CNC(=O)N1CCC[C@@H]1C(N)=O,2.74,3.636209805806478,3.571791044776119,148,2,1,2.0
OADMET-0001218,Cc1c[nH]c(C(C)NC(=O)c2cc(Cl)ccc2C)n1,3.82,3.7829275131225586,3.8408219178082192,953,3,1,2.0
OADMET-0001217,O=C(Cn1cccn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1,4.01,3.577246348063151,3.571791044776119,952,3,0,1.0
OADMET-0001216,O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cnn[nH]1,3.11,2.525034189224243,2.5691379310344833,951,4,0,1.0
OADMET-0001215,Cc1cc(N2CCC[C@@H]2C(=O)O)nc(N2CCOCC2)n1,2.24,2.7586230436960855,2.795725806451613,950,0,0,1.0
OADMET-0001214,CC1(C)CC1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,4.57,4.915591557820638,4.860652173913044,359,4,1,2.0
OADMET-0001213,CCc1csc(CCNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n1,4.36,4.379576206207275,4.477399999999999,949,4,0,1.0
OADMET-0001212,COc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1Cn1cccn1,4.28,3.9892820517222085,4.031000000000001,948,0,0,1.0
OADMET-0001211,CC(=O)Nc1ccc2nc(CNCCNc3ccncc3C)ccc2c1,2.67,3.271803538004557,3.0979268292682924,947,4,0,1.0
OADMET-0001210,c1ccc(-c2ccc(CN3CC(N4CCOCC4)C3)s2)cc1,3.23,3.9322391351064048,3.916360294117648,946,3,0,1.0
OADMET-0001209,COCC1CCN(C(=O)Cn2nc3ccccc3n2)C1,4.0,4.116511106491089,4.164821428571428,377,0,0,1.0
OADMET-0001208,Cn1cncc1C(=O)NC1(c2cc(F)cc(F)c2)CC1,4.11,4.891812960306804,4.821480836236933,945,2,0,1.0
OADMET-0001207,Cc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCOCC2)c(C)n1,2.75,2.737854798634847,2.795725806451613,944,1,0,1.0
OADMET-0001206,Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1C,2.77,3.0237561066945395,2.9914062500000007,175,2,1,2.0
OADMET-0001204,O=C(CCCn1ccnc1)N1CCC(Cc2ccc(F)cc2)CC1,5.33,3.6821255683898926,3.6602857142857137,105,2,0,1.0
OADMET-0001203,Cc1n[nH]c(C2CCCN(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)n1,3.05,3.2925228277842202,3.101637931034483,155,2,1,2.0
OADMET-0001202,CCc1nnc(CN(CC)C(=O)Nc2ccc(Cc3nnc(C)[nH]3)cc2)o1,2.49,2.883406718571981,2.795725806451613,943,0,0,1.0
OADMET-0001201,CCCC(C)N1CC2(CCN(C(=O)c3cnccn3)CC2)OC1=O,3.95,3.6967995166778564,3.6602857142857137,942,4,0,1.0
OADMET-0001200,Fc1cc(CN2CCCN(Cc3cccnc3)CC2)ccc1Cl,4.17,3.1960244178771973,3.0979268292682924,376,2,0,1.0
OADMET-0001199,CCOCC(=O)N1CCC(C(=O)N2CCCC(O)CC2)CC1,2.53,3.0005297660827637,2.811071428571428,375,4,0,1.0
OADMET-0001198,COCCc1nc(CNC(=O)CSc2nc(C)n[nH]2)no1,2.79,3.047856330871582,2.9914062500000007,68,2,0,1.0
OADMET-0001197,CN(Cc1ccc(CN2CC[C@@H](N)[C@H](O)C2)o1)S(C)(=O)=O,2.68,2.674391587575277,2.7054255319148934,941,3,0,1.0
OADMET-0001196,COC(C)c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1,4.98,5.234212080637614,5.026367187500001,940,2,0,1.0
OADMET-0001195,CCc1nc(CN2CCOC(c3ccc4cc(OC)ccc4c3)C2)no1,3.78,4.511041482289632,4.59815,374,3,0,1.0
OADMET-0001194,CC(C)C[C@@H](NC(=O)c1cccc(-c2ncc[nH]2)c1)C(N)=O,3.32,3.796655813852946,3.8408219178082192,939,1,0,1.0
OADMET-0001193,CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cn(CCN)nn1,2.48,2.877671162287394,2.795725806451613,938,0,0,1.0
OADMET-0001192,CSCCC(=O)NC1CCN(Cc2ccccc2F)CC1,3.06,3.5232964356740317,3.4971951219512194,937,3,1,2.0
OADMET-0001191,CC(C)(C)n1ccc(C(=O)N2CCN(CCCCO)CC2)c1,3.66,2.5510241190592446,2.5691379310344833,936,1,0,1.0
OADMET-0001190,O=C(CCCn1cncn1)NC1CCCN(Cc2cccs2)C1,3.48,3.1461048126220703,3.0979268292682924,935,2,0,1.0
OADMET-0001189,CN(C)CC1COCCN(CCCn2cccn2)C1,3.05,3.3093581199645996,3.101637931034483,934,1,0,1.0
OADMET-0001188,CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1O,3.19,2.0778907934824624,2.31875,933,0,0,1.0
OADMET-0001187,COc1cccc(-c2ccccc2NC(=O)C2CCN(c3cnccn3)CC2)c1,4.19,4.392350514729817,4.477399999999999,932,4,0,1.0
OADMET-0001186,Cc1nnc2ncc(-c3ccc(OC(C)C)cc3)cn12,3.7,3.9989378452301025,4.031000000000001,367,4,0,1.0
OADMET-0001185,CC(C)c1nc(C(=O)NC2(c3nnc(N)s3)CCCCC2)cs1,5.54,5.051860809326172,4.9999852507374625,931,3,1,2.0
OADMET-0001184,COc1ccccc1CCC(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O,3.34,3.7811711629231772,3.8408219178082192,930,2,0,1.0
OADMET-0001183,CCCS(=O)(=O)NC(C)c1nc(-c2ccc(OC)c(OC)c2)no1,3.85,4.209217230478923,4.355306748466257,184,1,1,2.0
OADMET-0001182,Cc1cc(CN2CCC(c3nnc[nH]3)CC2)on1,2.69,2.487581809361776,2.5691379310344833,350,4,0,1.0
OADMET-0001181,CCc1nc2cc(NC(=O)C3CCC3)ccc2n1CC,4.56,4.192935784657796,4.355306748466257,373,3,0,1.0
OADMET-0001180,CCSc1cccc(-c2cc(C(=O)N3CCCCC3)ccn2)c1,4.77,5.378503163655599,5.2117424242424235,929,1,1,2.0
OADMET-0001179,COCc1ccc(C(=O)NCc2noc(C(N)=O)n2)s1,2.66,2.5567604700724282,2.5691379310344833,69,0,1,2.0
OADMET-0001178,Cc1nnnn1CCC(=O)Nc1ccc2[nH]c(C(C)O)nc2c1,2.53,2.5379560788472495,2.5691379310344833,372,2,0,1.0
OADMET-0001177,COc1ccc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)cc1CO,4.84,4.823407491048177,4.821480836236933,928,0,0,1.0
OADMET-0001176,Cc1ccc2nc(CN3CCN(C)C(c4ccccc4)C3)[nH]c2c1C,4.47,4.314488410949707,4.47620253164557,927,4,0,1.0
OADMET-0001175,CC(=O)N[C@@H](C)C(=O)Nc1cccc(-n2cccn2)c1,3.9,3.9905873934427896,4.031000000000001,926,3,0,1.0
OADMET-0001174,Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)COCc2nc3ccccc3[nH]2)on1,3.81,3.5308926900227866,3.5503846153846155,348,1,0,1.0
OADMET-0001173,Cc1nn(C)cc1C(=O)NCC1CCCN(c2ccncc2)C1,3.3,2.8335509300231934,2.795725806451613,925,2,0,1.0
OADMET-0001172,CC(C)c1nccc(C(=O)N2CCc3n[nH]cc3C2)n1,2.43,3.356237014134725,3.101637931034483,924,2,0,1.0
OADMET-0001171,CCCCC(=O)Nc1ccc(C)cc1NC(=O)Cn1nnnc1N,3.55,4.077481508255005,4.092280701754386,111,3,0,1.0
OADMET-0001170,CCc1csc(CNC(=O)c2cc3ncccn3n2)n1,3.24,3.3081154823303223,3.101637931034483,371,0,1,2.0
OADMET-0001169,CCn1cnnc1CCNC(=O)c1ccc(CN2CCCC2)o1,3.01,3.254758834838867,3.0979268292682924,335,0,0,1.0
OADMET-0001168,CCCCSCc1cc(C(=O)NC2(C(=O)O)CCCC2)oc1C,4.55,3.480374574661255,3.4971951219512194,923,3,0,1.0
OADMET-0001167,Cc1ncn(CCNC(=O)c2cncc(O)c2)c1C,2.28,2.704633871714274,2.7054255319148934,922,4,0,1.0
OADMET-0001166,CC(=O)N1CC[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2)[C@H](O)C1,2.4,2.4960015614827475,2.5691379310344833,183,3,0,1.0
OADMET-0001165,COCc1nnc(NC(=O)CN2CCC(NS(C)(=O)=O)CC2)s1,2.49,2.8619558016459146,2.795725806451613,921,0,0,1.0
OADMET-0001164,COC1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)O)C1,2.51,2.5378071467081704,2.5691379310344833,920,0,0,1.0
OADMET-0001163,O=C(Nc1ccccc1Cl)N1CCC(n2cc(C3CCCCC3)nn2)CC1,3.93,4.034644842147827,4.092280701754386,919,4,1,2.0
OADMET-0001162,Cc1nnc(CN(C)C(=O)NCC2CCCCC2)o1,3.5,3.72862180074056,3.8408219178082192,918,3,0,1.0
OADMET-0001161,CSCc1noc(CNC(=O)c2n[nH]c(=O)c3ccccc23)n1,3.62,3.4327664375305176,3.4971951219512194,917,2,0,1.0
OADMET-0001160,Nc1nnc(CNC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)s1,3.31,3.236661354700724,3.0979268292682924,180,3,0,1.0
OADMET-0001159,Cc1csc(CN(C)CCCc2nccn2C)n1,3.41,3.6335416634877524,3.571791044776119,916,1,0,1.0
OADMET-0001158,COCCc1nc(CNC(=O)N(C)Cc2noc(C3CC3)n2)no1,3.2,3.3600889841715493,3.2,68,2,1,2.0
OADMET-0001157,COc1ccc2ncn(CCc3n[nH]c(N)n3)c(=O)c2c1,3.15,2.3128557205200195,2.4937500000000004,915,0,0,1.0
OADMET-0001156,CC(C)c1cc(CNC(=O)CC2C=CCC2)on1,4.16,4.6414103507995605,4.776467889908257,914,4,0,1.0
OADMET-0001155,Cc1nc2sccn2c1C(=O)NCc1ccc(S(N)(=O)=O)cc1,1.72,2.566262642542521,2.5691379310344833,370,1,0,1.0
OADMET-0001154,COc1c[nH]c(C(=O)N[C@H]2C[C@H](c3cc(=O)[nH]c(C4CC4)n3)C2)cc1=O,2.74,3.6111592451731362,3.571791044776119,913,3,0,1.0
OADMET-0001153,CNC(=O)c1ccc(CNC(=O)c2nnc3nc(C)cc(C)n23)o1,3.48,2.9744823773701987,2.811071428571428,912,2,0,1.0
OADMET-0001152,CCCn1ccnc1CN(C)CCc1ccccn1,3.86,4.155760924021403,4.355306748466257,911,1,0,1.0
OADMET-0001151,COc1coc(CN2CCCn3nc(C#N)cc3C2)cc1=O,2.87,3.190473477045695,3.0979268292682924,910,0,0,1.0
OADMET-0001150,CO[C@H]1CN(C2CSCCSC2)C[C@@H]1O,3.69,3.043715794881185,2.9914062500000007,909,3,0,1.0
OADMET-0001149,Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(CC(C)C)no1,4.71,4.953597704569499,4.988000000000001,908,1,1,2.0
OADMET-0001148,O=C(O)[C@@H]1CC[C@H](C(=O)NCc2cscn2)C1,2.59,2.175499677658081,2.353951612903226,907,2,0,1.0
OADMET-0001147,COc1ccc2c(C)c(CC(=O)NCc3noc(C4CC4)n3)c(=O)oc2c1,3.72,4.371324221293132,4.477399999999999,182,3,1,2.0
OADMET-0001146,CC(C)Nc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1,4.13,3.8853355248769126,3.916360294117648,906,1,0,1.0
OADMET-0001145,O=C(NCc1noc(C2CCCO2)n1)c1n[nH]c2c1CCC2,3.48,4.281952857971191,4.355306748466257,905,0,0,1.0
OADMET-0001144,Cc1cccc(OC2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)c1,3.74,3.910479466120402,3.916360294117648,369,1,0,1.0
OADMET-0001143,NS(=O)(=O)c1ccc(C(=O)N2CCCOC(Cn3cccn3)C2)cc1,3.04,3.0615947246551514,2.9914062500000007,904,4,0,1.0
OADMET-0001142,O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccc2c(c1)CCO2,4.24,4.166969935099284,4.355306748466257,903,3,0,1.0
OADMET-0001141,O=C(c1cccc(-n2cnnc2)c1)N1CCCCC1CCc1ccccc1,4.41,5.090457598368327,4.9999852507374625,173,4,1,2.0
OADMET-0001140,CCCn1cnnc1CNC(=O)Nc1cccc(NS(C)(=O)=O)c1,2.77,3.8351521492004395,3.916360294117648,106,2,0,1.0
OADMET-0001139,Fc1cnc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1,3.79,4.916696230570476,4.860652173913044,902,2,0,1.0
OADMET-0001138,COc1ccc(N2CCN(Cc3cc(=O)c(OC)co3)C(C)C2=O)cc1,2.9,3.5766889254252114,3.571791044776119,901,1,0,1.0
OADMET-0001137,Cc1nc(N)ncc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1,2.75,2.6473660469055176,2.7054255319148934,900,0,0,1.0
OADMET-0001136,CCCN(Cc1ccccc1OC)Cc1ccccc1C(=O)O,4.16,4.281856854756673,4.355306748466257,7,3,1,2.0
OADMET-0001135,Cc1ncn(C)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1,2.22,2.0334675312042236,2.29,899,4,0,1.0
OADMET-0001134,Cc1ccc(C)c(-c2nccn2C2CCNC2)c1,3.34,4.1947981516520185,4.355306748466257,898,3,0,1.0
OADMET-0001133,CC(CNC(=O)C1CCC(=O)N(C2CC2)C1)(c1ccccc1)c1ccccc1,4.61,5.120710690816243,4.9999852507374625,897,2,0,1.0
OADMET-0001132,O=C(CSCCN1CCCC1)N1CCC(OCc2ccccn2)CC1,2.67,3.516451438268026,3.4971951219512194,896,1,0,1.0
OADMET-0001131,Cc1csc(C(C)CNC(=O)c2ccc[nH]2)n1,3.75,3.8101715246836343,3.916360294117648,368,3,0,1.0
OADMET-0001130,Cc1cnc(N)c(-c2ccc(OC(C)C)cc2)c1,3.85,3.4476033051808677,3.4971951219512194,367,4,0,1.0
OADMET-0001129,Cc1cccnc1N1CCN(C(=O)CN2CC(=O)NC2=O)CC1,2.76,2.0820183753967285,2.31875,895,4,1,2.0
OADMET-0001128,CCCn1nccc1S(=O)(=O)NCCCc1csc(N)n1,4.28,3.714765469233195,3.8408219178082192,366,0,0,1.0
OADMET-0001127,CC(C)Cc1nc(CNC(=O)c2ccncc2F)no1,3.29,3.068526347478231,2.9914062500000007,894,2,0,1.0
OADMET-0001126,COC(=O)c1ccc(-c2ccc(C(=O)N(C)CC(O)CO)cc2)c(CO)c1,2.5,3.108238458633423,2.9914062500000007,893,2,0,1.0
OADMET-0001125,O=C(Nc1nc2c(F)cccc2s1)C1CCOC1,3.63,4.829702218373616,4.821480836236933,301,3,1,2.0
OADMET-0001124,Nc1[nH]nc(C(=O)NC(Cn2cccn2)c2ccccc2)c1Cl,4.12,4.0924826463063555,4.164821428571428,892,3,0,1.0
OADMET-0001123,COc1cc2c(cc1CN(Cc1ccccn1)CC1CCCO1)CCC2,4.26,4.959249655405681,4.988000000000001,891,2,0,1.0
OADMET-0001122,CC(C(=O)N1CCNC(=O)CC1)c1n[nH]c(=O)c2ccccc12,2.2,3.42225972811381,3.4971951219512194,890,1,0,1.0
OADMET-0001121,CNC(=O)Cn1cc(-c2cccc(C(=O)NCCN3CCCOC3=O)c2)cn1,2.84,3.1773813565572104,3.0979268292682924,889,0,1,2.0
OADMET-0001120,NS(=O)(=O)CC1CCN(C(=O)NCc2nc(-c3ccccn3)no2)C1,2.95,2.4293286005655923,2.5691379310344833,67,1,0,1.0
OADMET-0001119,O=C(CCn1cc(Cl)cn1)N1CCC(CN2CCCC2=O)CC1,3.52,3.9401960372924805,3.916360294117648,365,0,1,2.0
OADMET-0001118,CNC(=O)C1CCN(c2ncc(Cl)cn2)C1,3.14,2.531888564427694,2.5691379310344833,888,4,0,1.0
OADMET-0001117,Cc1nc(C)c(CNC(=O)CC2CCOC2)s1,3.42,2.740163246790568,2.795725806451613,887,3,0,1.0
OADMET-0001116,O=C(CC1C=CS(=O)(=O)C1)N1CCC(OCc2cccnc2)CC1,3.21,3.046127716700236,2.9914062500000007,364,2,0,1.0
OADMET-0001115,O=C(CN1C(=O)CNC1=O)NCCc1noc(C2CCCC2)n1,2.53,2.5718819300333657,2.5691379310344833,109,1,1,2.0
OADMET-0001114,Cc1nnnn1-c1cccc(NC(=O)c2cccc(-n3cnnc3)c2)c1,2.55,3.268428325653076,3.0979268292682924,110,4,0,1.0
OADMET-0001113,Cc1csc(CN2CCN(S(C)(=O)=O)CC2)n1,3.2,3.3514928023020425,3.101637931034483,886,2,1,2.0
OADMET-0001112,Nc1nc(NCc2cc(-c3ccccn3)no2)cc(C2CC(O)C2)n1,3.08,2.8242105642954507,2.795725806451613,885,1,0,1.0
OADMET-0001111,COc1c(F)cccc1C(=O)Nc1ccc2c(c1)CC(C)O2,4.24,4.978886127471924,4.988000000000001,884,0,0,1.0
OADMET-0001110,CC(NC(=O)c1cc(C2CC2)[nH]n1)c1nnc(CC(=O)O)[nH]1,2.74,2.548553943634033,2.5691379310344833,186,1,0,1.0
OADMET-0001109,O=C(CN1C(=O)CNC1=O)NCc1n[nH]c2c1CCCCC2,2.47,2.678042729695638,2.7054255319148934,883,4,0,1.0
OADMET-0001108,CC(C)Cn1cncc1CNC(=O)c1cncc(F)c1,3.16,3.3413843313852944,3.101637931034483,181,0,0,1.0
OADMET-0001107,CCc1ocnc1C(=O)NC1CCN(c2cc(=O)[nH]c(N)n2)CC1,2.23,2.4640684922536216,2.5691379310344833,882,3,0,1.0
OADMET-0001106,CCS(=O)(=O)NCC1CN(C(C)=O)CCO1,2.45,3.540101925532023,3.5503846153846155,881,1,0,1.0
OADMET-0001105,COc1ccccc1-n1cc(C(C)NC(=O)Cc2c[nH]c(=O)[nH]c2=O)cn1,2.88,3.0012267430623374,2.88,107,0,0,1.0
OADMET-0001104,Cc1ccc2[nH]c(C(NC(=O)Cn3nnnc3N)C(C)C)nc2c1,3.73,3.577066342035929,3.571791044776119,111,3,0,1.0
OADMET-0001103,CCc1ccc(C(=O)N(C)Cc2ncccc2C)[nH]1,3.94,4.792936484018962,4.821480836236933,880,4,0,1.0
OADMET-0001102,COc1ccc(CN(Cc2ccccn2)C(=O)NCC2CCN(C)C2)cc1,3.53,4.417612552642822,4.543097826086957,178,3,0,1.0
OADMET-0001101,O=C(c1ccccn1)C1CCCN(C(=O)NCCc2noc(C3CC3)n2)C1,4.26,3.7793959776560464,3.8408219178082192,109,1,1,2.0
OADMET-0001100,CS(=O)(=O)NCCC(=O)N1CCCC(OCc2cccnc2)C1,3.43,3.0780758062998452,2.9914062500000007,364,2,1,2.0
OADMET-0001099,OC1(CCNc2ccc(Cl)cn2)CCCC1,3.92,3.855464458465576,3.916360294117648,879,0,0,1.0
OADMET-0001098,CCCn1cc(CN2CCCC(c3nnc4ccccn34)C2)c(C)n1,3.49,4.403445243835449,4.543097826086957,878,4,0,1.0
OADMET-0001097,CCCCC1CCCN1C(=O)NCc1ccc(O)cc1,4.31,4.625334739685059,4.776467889908257,363,3,1,2.0
OADMET-0001096,CCCn1cc(NC(=O)N(C)Cc2cc(-c3ccncc3)no2)nn1,2.3,2.990406592686971,2.811071428571428,877,3,0,1.0
OADMET-0001095,CCc1nc(C)c(C(=O)NC2COc3c(cccc3OC)C2)o1,3.87,4.096712509791057,4.164821428571428,876,2,0,1.0
OADMET-0001094,CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1nc(COC)no1,3.09,4.069971879323323,4.092280701754386,875,1,0,1.0
OADMET-0001093,COc1ccc(NC(C)(C)C(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cc1,4.08,4.7182745933532715,4.817948717948719,298,4,0,1.0
OADMET-0001092,Cc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCCC3)c2)c1,4.82,4.292528947194417,4.355306748466257,874,0,1,2.0
OADMET-0001091,CCn1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)cn1,4.1,3.8578818639119468,3.916360294117648,873,4,0,1.0
OADMET-0001090,COc1ccc(CNCCCc2ccccc2F)c(OC)c1C,4.32,4.693595886230469,4.817948717948719,872,3,0,1.0
OADMET-0001089,CC(NC(=O)Nc1cccc(N2CCN(C)C2=O)c1)c1nnc(N)s1,2.55,3.691488186518351,3.6602857142857137,871,2,0,1.0
OADMET-0001088,CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2ccsc2)c1,5.11,5.2788160641988116,5.067031249999999,362,4,0,1.0
OADMET-0001087,OCC1(CC2CC2)CCCN(c2nc(-c3ccccc3)no2)C1,4.88,5.24003791809082,5.026367187500001,870,1,0,1.0
OADMET-0001086,CN(C)C(=O)N1CCOCC1CC(=O)NCCc1ccccn1,3.39,3.3937312761942544,3.4971951219512194,869,0,0,1.0
OADMET-0001085,CCCOC1CCCN(C(=O)CCn2cncn2)C1,3.53,3.7090439001719155,3.6602857142857137,868,3,0,1.0
OADMET-0001084,CCc1nnc(CN(C)Cc2nccn2C2CC2)o1,3.46,3.546238740285238,3.5503846153846155,867,4,0,1.0
OADMET-0001083,CN(C)CCOc1ccc(CN2CCN(Cc3nccn3C)CC2)cc1,3.46,2.8780232270558677,2.795725806451613,340,0,0,1.0
OADMET-0001082,COc1ccc(-c2n[nH]cc2CNC(=O)C2CC3(CCNCC3)CN2)cc1,2.11,2.935687224070231,2.811071428571428,866,2,0,1.0
OADMET-0001081,CO[C@H]1CN(C(=O)CCc2ccc(C)cc2C)C[C@@H]1O,3.64,3.9319307009379068,3.916360294117648,865,3,0,1.0
OADMET-0001080,CCCN(CC1CC1)C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1,5.22,5.446227232615153,5.262840909090909,864,4,0,1.0
OADMET-0001079,CC(C)c1cc(CN(C)C(=O)NCc2nc(-c3ncccn3)no2)on1,3.43,3.873196283976237,3.916360294117648,361,0,0,1.0
OADMET-0001078,CCN1CCCCC1CNc1ncc(C#N)c(N)n1,2.93,2.531855821609497,2.5691379310344833,863,3,0,1.0
OADMET-0001077,O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cncc(F)c1,3.91,4.106784025828044,4.164821428571428,181,0,0,1.0
OADMET-0001076,CC(C)C(NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ncnn1C,4.87,5.102609952290853,4.9999852507374625,862,2,0,1.0
OADMET-0001075,Cc1nnc(CCNC(=O)c2ccc3nccn3c2)s1,2.27,2.614494800567627,2.7054255319148934,861,1,0,1.0
OADMET-0001074,NC(=O)c1noc(CNC(=O)c2ccc(Oc3ccccc3)o2)n1,3.04,3.142091751098633,3.0979268292682924,860,0,0,1.0
OADMET-0001073,CC(C)c1ccc(NC(=O)NCCc2ncnn2C)cc1,3.98,3.7140275637308755,3.8408219178082192,859,4,0,1.0
OADMET-0001072,CC1CCC(=O)N1c1ccc(NC(=O)c2cccc(OCC(N)=O)c2)cc1,3.62,3.1728715896606445,3.0979268292682924,360,2,1,2.0
OADMET-0001071,O=C(NCC1CCN(Cc2ncc[nH]2)CC1)c1ccsc1,2.86,2.825809637705485,2.795725806451613,858,3,0,1.0
OADMET-0001070,Cc1nc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cs1,3.61,4.584915320078532,4.682475247524752,359,4,0,1.0
OADMET-0001069,CC(Oc1ccccc1CN1CCN(C(=O)N(C)C)CC1)C(=O)O,2.67,2.885042111078898,2.795725806451613,857,2,1,2.0
OADMET-0001068,Cc1cc(CN(C)Cc2cccc(O)c2)c(C)c(CN2CCN(C)CC2)c1,3.97,3.66094978650411,3.575,856,1,0,1.0
OADMET-0001067,O=c1c2cccc(F)c2ncn1CC1CCCOC1,3.11,4.518492698669434,4.59815,855,0,0,1.0
OADMET-0001066,COCCc1noc(C(C)NC(=O)Cn2c(C)cc(C)nc2=O)n1,2.42,2.883904298146566,2.795725806451613,352,2,0,1.0
OADMET-0001065,O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCOC[C@H]1OCCO,3.31,3.4220951398213706,3.4971951219512194,854,4,0,1.0
OADMET-0001064,COc1cccc(CNC(=O)N2CCC(NC(C)=O)C2)c1OC,3.14,3.948169469833374,3.916360294117648,67,1,1,2.0
OADMET-0001063,Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Oc2nnn[nH]2)cc1,2.44,1.7650745312372844,2.1492857142857145,66,3,0,1.0
OADMET-0001062,CCc1noc(CN(CC)C(=O)c2ccc(-c3cc(C)n[nH]c3=O)cc2)n1,3.3,3.1771977742513022,3.0979268292682924,346,3,0,1.0
OADMET-0001061,Cn1nnnc1SCCNC(=O)N1CCN(c2ncccc2C#N)CC1,4.08,3.3925182819366455,3.4971951219512194,358,3,1,2.0
OADMET-0001060,Fc1cccc(CN2CCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)c1,3.97,3.5993850231170654,3.571791044776119,357,4,0,1.0
OADMET-0001059,O=C(NCc1nc(C2CCCCC2)no1)c1cc(=O)n(-c2ccccc2)[nH]1,3.61,4.3137556711832685,4.47620253164557,853,2,0,1.0
OADMET-0001058,CCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)nc1,4.1,4.7315975824991865,4.817948717948719,356,3,0,1.0
OADMET-0001057,Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)c1csc(N)n1,3.65,2.7621126969655356,2.795725806451613,852,0,0,1.0
OADMET-0001056,CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(CN(C)C)o1,3.92,5.066271146138509,4.9999852507374625,111,3,0,1.0
OADMET-0001055,COc1cccc(CCNC(=O)N2CCC(CS(N)(=O)=O)C2)c1OC,2.8,3.586168050765991,3.571791044776119,67,1,1,2.0
OADMET-0001054,CC1(C(=O)NCc2noc(C(N)=O)n2)CCCCO1,2.56,2.833390712738037,2.795725806451613,69,0,0,1.0
OADMET-0001053,CC(C)Cc1cc(C(=O)N2C[C@H]3CC=CC[C@H]3C2)on1,4.64,4.783270676930745,4.821480836236933,851,1,1,2.0
OADMET-0001052,O=C(c1nc2cccnc2[nH]1)N1CCCC(c2nnc[nH]2)C1,2.85,2.4058375358581543,2.4937500000000004,850,0,0,1.0
OADMET-0001051,CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)Cn1nnnc1N,2.49,2.82725191116333,2.795725806451613,849,4,0,1.0
OADMET-0001050,O=C(NC1CCN(CC2CCCO2)CC1)c1ccncc1Cl,2.16,2.623730262120565,2.7054255319148934,848,3,0,1.0
OADMET-0001049,CC(C)Cc1cc(CNS(=O)(=O)c2cc(C(N)=O)cs2)on1,4.01,4.158014297485352,4.355306748466257,847,2,0,1.0
OADMET-0001048,COCCOc1ccccc1NC(=O)NCc1nnc(N)s1,2.97,3.533989191055298,3.5503846153846155,180,3,0,1.0
OADMET-0001047,COCCn1nnnc1C1CN(C(=O)CCn2nc(C)cc2C)CCO1,3.79,4.1030575434366865,4.164821428571428,846,1,0,1.0
OADMET-0001046,COc1ccccc1CCN1CCCC(CN(C)S(=O)(=O)N2CCCC2)C1,4.23,5.082009315490723,4.9999852507374625,845,0,0,1.0
OADMET-0001045,Cn1ccnc1C1CCN(Cc2c(F)cccc2Cl)CC1,4.29,4.269103527069092,4.355306748466257,844,4,0,1.0
OADMET-0001044,CC(C)c1nnsc1CNC(=O)[C@@H]1COC(=O)N1,3.2,2.638608455657959,2.7054255319148934,843,3,0,1.0
OADMET-0001043,C1=C([C@@]23CCCN(Cc4ccccn4)[C@H]2CCOC3)CCOC1,3.76,3.4518415927886963,3.4971951219512194,842,2,0,1.0
OADMET-0001042,Nc1nc(CCCNC(=O)C2Cc3ccccc3S(=O)(=O)N2)cs1,3.87,3.897970676422119,3.916360294117648,339,1,1,2.0
OADMET-0001041,NCc1ccc(C(=O)NCCc2nc(N)cc(O)n2)cc1,3.76,2.6681459744771323,2.7054255319148934,841,1,0,1.0
OADMET-0001040,CCNc1ncc(C(=O)N2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)cn1,3.08,4.435529867808024,4.543097826086957,355,4,0,1.0
OADMET-0001039,Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCc1nnn[nH]1)O2,3.33,4.054152727127075,4.092280701754386,840,0,0,1.0
OADMET-0001038,COc1cccc(-c2ccnn2C(C)C)c1OC,3.97,4.471951007843018,4.59815,839,3,0,1.0
OADMET-0001037,O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccon1,2.68,3.4097816149393716,3.4971951219512194,838,1,1,2.0
OADMET-0001036,CC(C)N1CCOC(CC(=O)N(C)CCN2CCCC2)C1,2.5,3.3421481450398765,3.101637931034483,837,1,0,1.0
OADMET-0001035,Cc1nc2ccccn2c1CC(=O)N1CCCN(S(C)(=O)=O)CC1,3.12,3.8952128092447915,3.916360294117648,108,0,1,2.0
OADMET-0001034,COCCN(C)C[C@@H]1CN(C(=O)c2cnc(C)nc2-c2ccccc2)C[C@@H]1CO,3.56,4.005828221638997,4.043714285714285,836,2,0,1.0
OADMET-0001033,CN(Cc1cccnc1)Cc1cnn(CCC(=O)O)c1,2.04,2.3577383359273276,2.4937500000000004,835,1,0,1.0
OADMET-0001032,CCOC(=O)N1CCC(NCc2n[nH]c(N)n2)CC1,2.5,2.658248027165731,2.7054255319148934,834,0,0,1.0
OADMET-0001031,Nc1nnnn1CC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1,3.73,2.872666358947754,2.795725806451613,14,1,0,1.0
OADMET-0001030,COCc1noc(CNC(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)n1,3.39,3.0889101028442383,2.9914062500000007,344,1,0,1.0
OADMET-0001029,Cc1nnc(CCNC(=O)Nc2cc(NS(C)(=O)=O)ccc2F)s1,2.7,3.44722580909729,3.4971951219512194,833,4,1,2.0
OADMET-0001028,CC(NC(=O)c1n[nH]c(N)c1-c1ccccc1)c1nncn1C(C)C,3.44,3.800865809122721,3.8408219178082192,832,3,0,1.0
OADMET-0001027,Cc1nnnn1CCC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1,3.67,3.2612251440684,3.0979268292682924,831,2,0,1.0
OADMET-0001026,COc1ccc(OCc2nnc([C@H]3C[C@@H](N)C3)n2C)c(Cl)c1,2.94,3.291689872741699,3.101637931034483,830,1,0,1.0
OADMET-0001025,COCCCN1CC2(CCN(Cc3ccc(NC(C)=O)cc3)CC2)CC1=O,2.39,3.2761240800221763,3.0979268292682924,829,0,0,1.0
OADMET-0001024,Cc1n[nH]c(SCC(=O)N(C)Cc2csc(-c3ccccc3)n2)n1,4.24,4.012842973073323,4.043714285714285,354,0,0,1.0
OADMET-0001023,COCc1ccc(C(=O)N(Cc2cccc(OC)c2OC)C2CCCC2)s1,5.58,5.116956869761149,4.9999852507374625,828,4,0,1.0
OADMET-0001022,Cn1ncnc1C(NC(=O)CCn1ccc(=O)[nH]c1=O)C1CC1,2.31,2.923208157221476,2.795725806451613,827,3,0,1.0
OADMET-0001021,CCSc1nnc(-c2ccccc2NC(=O)c2csnn2)c(=O)[nH]1,1.62,3.4909278551737466,3.4971951219512194,353,1,0,1.0
OADMET-0001020,COc1ccc(C(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)[C@H]2C[C@@H](O)C2)cn1,2.74,2.323817332585653,2.4937500000000004,107,0,1,2.0
OADMET-0001019,O=C(CN1CCCCC1=O)Nc1ccc(Oc2nnn[nH]2)cc1,2.31,1.937895139058431,2.29,10,1,0,1.0
OADMET-0001018,CCCOC1CCCN(CCc2c[nH]c(=O)n(C)c2=O)C1,3.34,2.6535122394561768,2.7054255319148934,826,2,0,1.0
OADMET-0001017,Cc1csc(NC(=O)C(C)N2CCC3(CC2)C(=O)NCCCN3C)n1,4.26,3.972152312596639,4.031000000000001,825,0,0,1.0
OADMET-0001016,CNS(=O)(=O)c1ccc(CCC(=O)NCc2nc(COC)no2)cc1,3.28,2.944260358810425,2.811071428571428,69,0,0,1.0
OADMET-0001015,CN1CCN(Cc2ccc3c4c(cccc24)C(=O)OC3)CC1c1ccccc1,4.0,4.764121214548747,4.817948717948719,824,3,0,1.0
OADMET-0001014,O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCCCn2nnnc21,4.11,4.529633204142253,4.619999999999999,823,4,0,1.0
OADMET-0001013,CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)nc(=O)[nH]1,2.37,3.5207724571228027,3.4971951219512194,822,3,0,1.0
OADMET-0001012,Cc1nc(-c2ccc(CNC(=O)CC3C(=O)N(C)C(=O)N3C)cc2)no1,3.47,2.5972347259521484,2.7054255319148934,821,2,1,2.0
OADMET-0001011,Cc1cc(C)n(CCCNC(=O)N2CCC(CS(N)(=O)=O)C2)n1,3.14,2.897695620854696,2.795725806451613,67,1,0,1.0
OADMET-0001010,CCCc1nnsc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1,5.6,5.0454756418863935,4.9999852507374625,820,1,0,1.0
OADMET-0001009,Cn1ccnc1C(NC(=O)Cn1nnnc1N)c1ccccc1,3.21,3.3522450923919678,3.101637931034483,179,2,0,1.0
OADMET-0001008,O=C(NCCn1cnnn1)c1nccnc1C(=O)N1CCCCC1,2.78,3.301551898320516,3.101637931034483,819,0,0,1.0
OADMET-0001007,CCc1oc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1CN1CCCC1,1.63,3.7688469886779785,3.8408219178082192,818,4,0,1.0
OADMET-0001006,CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)CSc1ccccn1)C2,4.26,5.719206809997559,5.284131355932205,817,3,0,1.0
OADMET-0001005,O=C(CN1C(=O)CNC1=O)N1CCOC2(CCN(C(=O)c3ccco3)CC2)C1,2.67,2.2554260889689126,2.353951612903226,53,1,1,2.0
OADMET-0001004,O=C1NC2(CCOCC2)C(=O)N[C@H]1Cc1c[nH]cn1,2.79,2.740257819493612,2.795725806451613,816,2,0,1.0
OADMET-0001003,CC(C)c1noc(CCNC(=O)Cc2ccc(-n3cnnn3)cc2)n1,3.49,3.105987866719564,2.9914062500000007,815,1,0,1.0
OADMET-0001002,CN(C)C(=O)c1ccc(-c2ccc(C(=O)NCCc3noc(CO)n3)cc2)o1,3.6,3.3513269424438477,3.101637931034483,814,0,0,1.0
OADMET-0001001,COCCc1noc(C(C)NC(=O)c2nonc2C)n1,2.92,3.2256826559702554,3.0979268292682924,352,2,0,1.0
OADMET-0001000,CCN(Cc1cnn(CC)c1)C(=O)NCC1CCN(C)CC1,2.65,2.826763312021891,2.795725806451613,178,3,0,1.0
OADMET-0000999,CCN(Cc1nc(C(C)C)no1)S(=O)(=O)c1cc(-c2ccno2)cs1,4.84,4.644881248474121,4.817948717948719,813,4,0,1.0
OADMET-0000998,CCc1nccn1CCCNC(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1,2.57,2.121189514795939,2.31875,812,2,0,1.0
OADMET-0000997,COc1cccc(-c2ncc(CNC(=O)CC3NC(=O)NC3=O)s2)c1,3.07,3.736424366633097,3.8408219178082192,811,1,1,2.0
OADMET-0000996,COc1ccc(C(NS(=O)(=O)c2ccc(C)c(C)c2)[C@H]2C[C@@H](O)C2)cn1,4.55,4.885116100311279,4.821480836236933,107,0,1,2.0
OADMET-0000995,COCCNC(=O)c1cccc(S(=O)(=O)NCCc2cnccn2)c1,2.93,3.649277925491333,3.575,810,0,0,1.0
OADMET-0000994,COc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC,3.14,2.876436154047648,2.795725806451613,177,4,0,1.0
OADMET-0000993,COc1ccccc1S(=O)(=O)Nc1c(C)nn(CC(=O)O)c1C,2.75,3.717702070871989,3.8408219178082192,351,3,0,1.0
OADMET-0000992,CNC(=O)Cc1ccc(NC(=O)NCC2CCCN(S(C)(=O)=O)C2)cc1,3.26,2.7982930342356362,2.795725806451613,809,4,1,2.0
OADMET-0000991,O=C(O)c1n[nH]cc1CN1CCC(c2nnc[nH]2)CC1,3.17,2.3929193019866943,2.4937500000000004,350,4,0,1.0
OADMET-0000990,CCn1cc(-c2ccc(C(=O)NCCCc3cccc(OC)c3)cc2)cn1,4.39,4.075102249781291,4.092280701754386,808,2,1,2.0
OADMET-0000989,CS(=O)(=O)N1CCC(Oc2ccccc2F)CC1,3.63,4.580472469329834,4.682475247524752,349,0,1,2.0
OADMET-0000988,Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cc(C)c3nc(N)sc3c2)on1,3.79,3.535430828730265,3.5503846153846155,348,1,0,1.0
OADMET-0000987,CC(C)Cc1nc(CN(C)S(=O)(=O)C2CCS(=O)(=O)C2)no1,4.19,3.711430788040161,3.8408219178082192,347,2,0,1.0
OADMET-0000986,Cc1c(C(C)NC(=O)C(C)(C)n2cccc2)cnn1C,3.86,4.757131099700928,4.817948717948719,807,1,0,1.0
OADMET-0000985,CC1(c2ccccc2)CCCN(C(=O)CCn2ccc(=O)[nH]c2=O)C1,4.55,4.097805102666219,4.164821428571428,806,0,0,1.0
OADMET-0000984,CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)c2coc3ccccc23)C[C@H]1O,3.92,4.325135389963786,4.47620253164557,805,4,0,1.0
OADMET-0000983,CC(=O)c1c(C)nn(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)c1C,2.32,2.6303744316101074,2.7054255319148934,804,3,0,1.0
OADMET-0000982,CCC(NC(=O)c1cnc(N)s1)c1nc(C)c[nH]1,3.01,2.579039732615153,2.5691379310344833,803,2,1,2.0
OADMET-0000981,CCc1noc(CN(CC)C(=O)Nc2cccc(NS(C)(=O)=O)c2)n1,3.99,4.113853454589844,4.164821428571428,346,3,0,1.0
OADMET-0000980,Cc1n[nH]c(SCC(=O)NC(c2ccccc2)c2nnc(N)s2)n1,2.74,3.736198663711548,3.8408219178082192,802,1,0,1.0
OADMET-0000979,COc1ccc(NC(=O)CCCn2cncn2)cc1NC(=O)c1ccco1,3.6,3.6484034856160483,3.575,801,0,0,1.0
OADMET-0000978,COc1cc(N2CCCC(c3nc4c(C)cccc4[nH]3)C2)nc(N)n1,4.25,4.609985828399658,4.776467889908257,345,2,0,1.0
OADMET-0000977,O=C(Nc1ccc(Oc2nnn[nH]2)cc1)c1ccc(Cn2cccn2)o1,2.68,1.8243468205134075,2.1492857142857145,66,3,1,2.0
OADMET-0000976,CS(=O)(=O)Nc1cccc(NC(=O)NCC2(O)CCCCC2)c1,3.81,3.8222707907358804,3.916360294117648,106,2,0,1.0
OADMET-0000975,CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(=O)cc(C)o1,3.28,3.4105486075083413,3.4971951219512194,800,4,0,1.0
OADMET-0000974,COCc1noc(CCNC(=O)Nc2cccc3nsnc23)n1,3.64,3.440053383509318,3.4971951219512194,344,1,0,1.0
OADMET-0000973,COC(=O)c1cc(C#N)c(N(C)Cc2noc(C(C)C)n2)nc1C,4.06,4.7447004318237305,4.817948717948719,799,3,0,1.0
OADMET-0000972,CC(=O)NCCC1CCCCN1S(=O)(=O)Cc1ccc(Cl)cc1,4.36,4.866005579630534,4.821480836236933,798,2,1,2.0
OADMET-0000971,Cc1cc(C(=O)N[C@@H]2CCN(Cc3nc(C(C)C)no3)C[C@H]2O)no1,3.09,2.743396600087484,2.795725806451613,797,0,0,1.0
OADMET-0000970,CCc1nnc(CNC(=O)Nc2cccc(NS(=O)(=O)N(C)C)c2)s1,4.25,4.7049581209818525,4.817948717948719,106,2,1,2.0
OADMET-0000969,Cc1noc(-c2ccc(S(=O)(=O)NCCCn3ccnn3)o2)c1C,3.92,3.901139577229818,3.916360294117648,796,3,0,1.0
OADMET-0000968,CCCSCc1nc(-c2ccc(C)nn2)no1,3.94,3.5680956840515137,3.571791044776119,795,4,0,1.0
OADMET-0000967,Cc1ccc2c(C)c(C(=O)O)oc2c1C,3.13,2.842226187388102,2.795725806451613,134,0,0,1.0
OADMET-0000966,CC(C)C(=O)Nc1cccc(C(=O)NCc2noc(-c3ccco3)n2)c1,3.9,4.11569348971049,4.164821428571428,336,1,0,1.0
OADMET-0000965,Cc1nonc1CNC(=O)c1cnn2cc(CCO)cnc12,2.96,2.7728021144866943,2.795725806451613,794,3,0,1.0
OADMET-0000964,CN(C)c1nc(N)nc(CNC(=O)c2ccc(CCC(C)(C)O)cc2)n1,3.15,3.2751451333363852,3.0979268292682924,343,2,0,1.0
OADMET-0000963,c1coc(-c2noc(CNCc3cccnc3-n3cncn3)n2)c1,3.93,3.2636539141337075,3.0979268292682924,793,2,0,1.0
OADMET-0000962,NS(=O)(=O)c1ccc(Cl)c(NC(=O)NC2COC3(CCCCC3)C2)c1,4.39,4.323807875315349,4.47620253164557,792,1,0,1.0
OADMET-0000961,Cn1cc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)cn1,2.44,2.389476219813029,2.4937500000000004,342,3,0,1.0
OADMET-0000960,COCCCN1CCCC(c2nccn2CC2CCC2)C1,3.63,4.497689882914226,4.59815,791,0,0,1.0
OADMET-0000959,O=C(NCc1cc(C2CC2)on1)c1c[nH]c2ncnn2c1=O,2.7,2.381255785624186,2.4937500000000004,790,4,0,1.0
OADMET-0000958,CNC(=O)c1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1,2.56,2.704500913619995,2.7054255319148934,341,4,0,1.0
OADMET-0000957,CN(C)CCCOc1cccc(CN2CCN(c3ccc(Cl)cn3)CC2)c1,3.56,3.036106745402018,2.9914062500000007,340,0,0,1.0
OADMET-0000956,N#Cc1cccnc1N1CCC(NC(=O)C2CCC(=O)NC(=O)N2)CC1,2.94,2.637998342514038,2.7054255319148934,789,3,0,1.0
OADMET-0000955,COc1cccc(-c2noc(-c3ccc(-c4ccc(O)cc4)nc3)n2)c1OC,3.66,4.016222556432088,4.043714285714285,788,2,0,1.0
OADMET-0000954,Cc1cc(=O)cc(C(=O)NCCCc2csc(N)n2)[nH]1,2.48,3.137092113494873,3.0979268292682924,339,1,0,1.0
OADMET-0000953,CC(C)c1noc(C(C)NC(=O)Cc2c[nH]c(=O)n(C)c2=O)n1,2.73,2.7928399244944253,2.795725806451613,787,1,0,1.0
OADMET-0000952,Fc1cc(-c2ccc(Cn3ccnc3)cc2)c2ncccc2c1,3.99,4.32400639851888,4.47620253164557,786,0,0,1.0
OADMET-0000951,Cc1n[nH]nc1C(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2C,3.33,2.8145221869150796,2.795725806451613,785,4,0,1.0
OADMET-0000950,Cc1nc(C(C)NC(=O)c2cccn2C)c(C)s1,3.79,3.6117672125498452,3.571791044776119,784,3,0,1.0
OADMET-0000949,Cc1cc(C)n(CC(=O)NCC2CCN(C(=O)c3csc(N)n3)CC2)n1,3.08,2.8923021157582602,2.795725806451613,338,1,0,1.0
OADMET-0000948,Cc1nc2ncccn2c1C(=O)N1CCC(c2nccn2CC(N)=O)CC1,3.13,2.850756565729777,2.795725806451613,783,1,0,1.0
OADMET-0000947,COc1ccc(-c2cn(CCn3[nH]c(=O)c4ccccc4c3=O)nn2)cn1,2.15,4.292456944783528,4.355306748466257,782,4,0,1.0
OADMET-0000946,CNC(=O)c1noc(CN2CCC3(CC2)Nc2ccccc2NC3=O)n1,2.52,3.1869059403737388,3.0979268292682924,781,4,0,1.0
OADMET-0000945,CNc1nc(C)cc(-c2ccc(C(=O)NCCc3n[nH]c(=O)n3C)cc2)n1,3.26,3.117438554763794,2.9914062500000007,780,0,0,1.0
OADMET-0000944,O=C(CCc1nc2ccccc2nc1O)NCc1n[nH]c(=O)[nH]1,2.54,2.2905450661977134,2.46,779,4,0,1.0
OADMET-0000943,CCc1nc(CN(C)C(=O)NCc2nc(C(=O)NC)no2)no1,2.61,2.435717503229777,2.5691379310344833,68,2,0,1.0
OADMET-0000942,CCc1ccc(-c2cc(C(=O)NCCCc3nnn[nH]3)[nH]n2)cc1,2.26,2.4567174116770425,2.5691379310344833,337,2,0,1.0
OADMET-0000941,COc1cccc(-n2cc(CN(C)C(=O)c3c[nH]nc3-n3cnnn3)cn2)c1,3.86,3.977298895517985,4.031000000000001,778,3,0,1.0
OADMET-0000940,CCc1nc(CC2CN(C(=O)CN3C(=O)OC(C)(C)C3=O)CCO2)no1,3.09,2.934285879135132,2.811071428571428,777,2,0,1.0
OADMET-0000939,CCCN(CCC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1,4.76,4.501822630564372,4.59815,776,1,1,2.0
OADMET-0000938,Cn1c(C(=O)NCCCc2nnc(N)s2)cc(=O)n(C)c1=O,2.34,2.363151788711548,2.4937500000000004,176,0,0,1.0
OADMET-0000937,Cc1nccc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)n1,2.83,3.7366371949513755,3.8408219178082192,775,0,0,1.0
OADMET-0000936,Cc1nc(N(C)C)ncc1C(=O)NCc1noc(-c2ccco2)n1,3.96,3.7398672103881836,3.8408219178082192,336,1,0,1.0
OADMET-0000935,Cc1cc(=O)[nH]c(SC(C)C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)n1,2.59,2.3268017768859863,2.4937500000000004,774,4,0,1.0
OADMET-0000934,COCc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc([C@H]2C[C@@H](N)C2)n1,2.14,2.476689179738363,2.5691379310344833,773,3,0,1.0
OADMET-0000933,Cc1cc(C)n(CCNS(=O)(=O)c2cc(-c3ccno3)ccc2C)c(=O)n1,4.05,4.037607113520305,4.092280701754386,772,2,0,1.0
OADMET-0000932,COCCc1noc(CN(C)Cc2c[nH]nc2C(=O)O)n1,2.64,3.191940704981486,3.0979268292682924,771,1,0,1.0
OADMET-0000931,Cc1nc(CNC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2c1CCCC2,4.35,3.908278226852417,3.916360294117648,770,0,0,1.0
OADMET-0000930,CCn1cnnc1CCNC(=O)c1cnc2c(c1)nc(N)n2CC,2.76,2.6704630851745605,2.7054255319148934,335,0,0,1.0
OADMET-0000929,O=C(NCc1n[nH]c(=O)[nH]1)Nc1cccc(OCC(=O)N2CCOCC2)c1,2.13,2.766472498575846,2.795725806451613,175,2,0,1.0
OADMET-0000928,CC(Cn1cncn1)C(=O)N1CCCN(C(=O)c2c[nH]c(=O)[nH]2)CC1,1.88,2.4674905141194663,2.5691379310344833,769,3,0,1.0
OADMET-0000927,CC(=O)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)O)cc2)[nH]n1,2.32,2.5067829291025796,2.5691379310344833,768,1,0,1.0