0 B13R1.3801 C=C(C)c1cccc(c1F)C(C)O 271570a_100000694244_200012356376 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.3801 C=C(C)c1cccc(c1N)C(C)C 271570a_100000694244_100010571509 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.3801 C=C(C)c1cccc(c1O)C(=O)C 271570a_100000694244_100009815558 [0,0,0,0,0,0|1,0,3]=4 3 B13R1.3801 CC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_200000210301 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.3801 CC(C)c1cccc(c1O)C(=O)[13CH3] 1458a_200011217578_200025704644 [0,0,0,0,0,0|1,0,1]=2 5 B13R1.3801 CC(C)c1cccc(c1O)C(C)C 271570a_203496583355_100009817198 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.258 C=C(C)c1cc(ccn1)C(C)C 271570a_100000694244_100010237925 [1,0,0,0,0,0|1,0,2]=4 7 B12R1.258 C=C(C)c1cccc(c1)C(C)C 271570a_100000694244_100011214899 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.258 C=C(C)c1cccc(c1)C(C)N 271570a_100000694244_100020642005 [1,0,0,0,0,0|1,0,2]=4 9 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.258 C=C(C)c1cccc(c1)N(C)C 271570a_100000694244_100011215952 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.258 C=C(C)c1cccc(n1)C(C)C 271570a_100000694244_100012318657 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.258 C=C(C)c1ccnc(c1)C(C)C 271570a_100000694244_100010237922 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.258 C=C(C)c1cncc(c1)C(C)C 271570a_100000694244_200010191214 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [1,0,0,0,0,0|1,0,1]=3 15 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.258 CC(C)c1cc(ccn1)N(C)C 27a_100102631434_100010237922 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.258 CC(C)c1cccc(n1)N(C)C 27a_100102631434_100012318657 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.258 CC(C)c1ccnc(c1)N(C)C 27a_100102631434_100010237925 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.258 CC(C)c1ccnc(n1)N(C)C 27a_100102631434_100011935126 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.258 CC(C)c1cncc(n1)N(C)C 27a_100102631434_100012056704 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.258 CC(C)c1nccc(n1)N(C)C 27a_100102631434_100000752938 [1,0,0,0,0,0|3,0,0]=4 24 B12R1.258 CC(O)c1cc(ccn1)N(C)C 27a_100102631434_100000144657 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.258 CC(O)c1cccc(n1)N(C)C 27a_100102631434_100009820884 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.258 CN(C)c1cccc(c1)C(F)F 2230a_200016126983_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B12R1.258 CN(C)c1cccc(c1)C(F)F 269982a_200016126983_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.258 CN(C)c1cccc(c1)C(F)F 34a_200016126983_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.258 CN(C)c1cccc(c1)C(F)F 7a_200016126983_200000210301 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 2230a_200016126983_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 269982a_200016126983_200025704644 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 34a_200016126983_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.258 CN([13CH3])c1cccc(c1)C(F)F 7a_200016126983_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [1,0,0,0,0,0|0,0,2]=3 37 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [1,0,0,0,0,0|1,0,2]=4 38 B12R1.440 C=Cc1cccc(c1N)C(C)C 271570a_100011290941_100010571509 [1,0,0,0,0,0|1,0,2]=4 39 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 34a_100021981578_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 7a_100021981578_200025704644 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_100010571509_200025704644 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_200025704644_100010571509 [1,0,0,0,0,0|2,0,0]=3 43 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200012356376_200025704644 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200025704644_200012356376 [1,0,0,0,0,0|3,0,0]=4 45 B12R1.440 CNc1cccc(c1F)C(C)C 34a_100021981578_200000210301 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.440 CNc1cccc(c1F)C(C)C 7a_100021981578_200000210301 [1,0,0,0,0,0|2,0,0]=3 47 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [1,0,0,0,0,0|2,0,1]=4 48 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200000210301_200012356376 [1,0,0,0,0,0|3,0,0]=4 50 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200012356376_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B12R1.440 CSc1cccc(c1N)C(C)C 62a_100010571509_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B12R1.440 CSc1cccc(c1N)C(C)C 62a_200000210301_100010571509 [1,0,0,0,0,0|2,0,0]=3 53 B14R1.112 C=Cc1c(cccc1C(C)C)C(C)C 271570a_100011290941_100009817198 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.112 CC(C)c1cccc(c1N[13CH3])C(C)C 2230a_100000210307_200025704644 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.112 CC(C)c1cccc(c1N[13CH3])C(C)C 34a_100000210307_200025704644 [0,1,0,0,0,0|1,0,0]=2 56 B14R1.112 CC(C)c1cccc(c1N[13CH3])C(C)C 7a_100000210307_200025704644 [0,1,0,0,0,0|1,0,0]=2 57 B14R1.112 CC(C)c1cccc(c1O[13CH3])C(C)C 34a_100011218711_200025704644 [0,1,0,0,0,0|0,0,0]=1 58 B14R1.112 CC(C)c1cccc(c1O[13CH3])C(C)C 7a_100011218711_200025704644 [0,1,0,0,0,0|0,0,0]=1 59 B14R1.112 CC(C)c1cccc(c1S[13CH3])C(C)C 62a_100009817198_200025704644 [0,1,0,0,0,0|0,1,0]=2 60 B14R1.112 CC(C)c1cccc(c1S[13CH3])C(C)C 62a_200025704644_100009817198 [0,1,0,0,0,0|0,1,0]=2 61 B14R1.112 CNc1c(cccc1C(C)C)C(C)C 2230a_100000210307_200000210301 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.112 CNc1c(cccc1C(C)C)C(C)C 34a_100000210307_200000210301 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.112 CNc1c(cccc1C(C)C)C(C)C 7a_100000210307_200000210301 [0,1,0,0,0,0|1,0,0]=2 64 B14R1.112 COc1c(cccc1C(C)C)C(C)C 34a_100011218711_200000210301 [0,1,0,0,0,0|0,0,0]=1 65 B14R1.112 COc1c(cccc1C(C)C)C(C)C 7a_100011218711_200000210301 [0,1,0,0,0,0|0,0,0]=1 66 B14R1.112 CSc1c(cccc1C(C)C)C(C)C 62a_100009817198_200000210301 [0,1,0,0,0,0|0,1,0]=2 67 B14R1.112 CSc1c(cccc1C(C)C)C(C)C 62a_200000210301_100009817198 [0,1,0,0,0,0|0,1,0]=2 68 B14R1.736 C=C(C)c1cccc(c1F)C(C)OC 271570a_100000694244_200010365929 [0,1,0,0,0,0|1,0,2]=4 69 B14R1.736 CC(C)c1cccc(c1O)C(=O)CF 1458a_200011217578_100015361967 [0,1,0,0,0,0|1,0,1]=3 70 B14R1.736 CCC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_100000210202 [0,1,0,0,0,0|1,0,1]=3 71 B14R1.736 CNC(=O)c1cccc(c1O)C(C)C 240690a_100102657272_200011217578 [0,1,0,0,0,0|1,0,1]=3 72 B14R1.736 CNC(=O)c1cccc(c1O)C(C)C 527a_100102657272_200011217578 [0,1,0,0,0,0|1,0,1]=3 73 B14R1.736 CN[C@H](C)c1cccc(c1F)C(F)F 2230a_100015297616_200000210301 [0,1,0,0,0,0|3,0,0]=4 74 B14R1.736 CN[C@H](C)c1cccc(c1F)C(F)F 34a_100015297616_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B14R1.736 C[C@@H](N[13CH3])c1cccc(c1F)C(F)F 2230a_100015297616_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B14R1.736 C[C@@H](N[13CH3])c1cccc(c1F)C(F)F 34a_100015297616_200025704644 [0,1,0,0,0,0|3,0,0]=4 77 B14R1.3145 C=C(C)c1cc(cc(c1N)C(C)C)F 271570a_100000694244_202125602415 [0,1,0,0,0,0|1,0,2]=4 78 B14R1.3145 CC(C)c1cc(cc(c1N)C(C)C)O 271570a_203496583355_100010205856 [0,1,0,0,0,0|1,0,0]=2 79 B14R1.3145 CC(C)c1cc(cc(c1O)C(C)C)O 271570a_203496583355_200010782092 [0,1,0,0,0,0|0,0,0]=1 80 B14R1.3145 Cc1cc(c(c(n1)N(C)C)C)C(C)C 27a_100102631434_202495333933 [0,1,0,0,0,0|3,0,0]=4 81 B14R1.4939 C=C(C)c1cccc(c1O)C(C)(C)C 271570a_100000694244_100010083445 [0,1,0,0,0,0|0,0,2]=3 82 B14R1.6045 CC(=O)c1c(ccc(c1O)C(C)C)C 1458a_100011217990_200000210301 [0,1,0,0,0,0|1,0,1]=3 83 B14R1.6045 Cc1ccc(c(c1C(=O)[13CH3])O)C(C)C 1458a_100011217990_200025704644 [0,1,0,0,0,0|1,0,1]=3 84 B14R2.4 C=C(C)c1cccc2c1OCC2N 271570a_100000694244_100025715106 [0,0,0,1,0,0|1,0,2]=4 85 B14R2.23681 C=C(C)c1cccc(c1O)C2CC2 271570a_100000694244_100010664954 [0,0,0,1,0,0|0,0,2]=3 86 B14R2.23681 CC(=O)c1cccc(c1C)C2CC2 271570a_100011220607_100012706834 [0,0,0,1,0,0|2,0,1]=4 87 B14R2.23681 CC(=O)c1cccc(c1F)C2CC2 271570a_100011220607_100012355707 [0,0,0,1,0,0|2,0,1]=4 88 B14R2.23681 CC(=O)c1cccc(c1O)C2CC2 271570a_100011220607_100009815558 [0,0,0,1,0,0|1,0,1]=3 89 B14R2.23681 CC(C)c1cccc(c1N)C2CC2 271570a_100011220607_100010571509 [0,0,0,1,0,0|1,0,0]=2 90 B14R2.23681 CC(O)c1cccc(c1F)C2CC2 271570a_100011220607_200012356376 [0,0,0,1,0,0|2,0,0]=3 91 B14R2.23681 Fc1c(cccc1C2CC2)C(F)F 271570a_100011220607_100010189892 [0,0,0,1,0,0|3,0,0]=4 92 B14R1.4450 CC(=Cc1cccc(c1F)C(C)O)C 271570a_100102525489_200012356376 [0,0,0,0,0,1|2,0,1]=4 93 B14R1.4450 CC(=Cc1cccc(c1N)C(C)C)C 271570a_100102525489_100010571509 [0,0,0,0,0,1|1,0,1]=3 94 B14R1.4450 CC(=O)Nc1cccc(c1F)C(C)C 11a_100021981578_100015343762 [0,0,0,0,0,1|2,0,1]=4 95 B14R1.4450 CC(=O)Nc1cccc(c1F)C(C)C 1626a_100021981578_100015343762 [0,0,0,0,0,1|2,0,1]=4 96 B14R1.4450 CC(=O)Nc1cccc(c1F)C(C)C 22a_100021981578_100000070787 [0,0,0,0,0,1|2,0,1]=4 97 B14R1.4450 CC(=O)Nc1cccc(c1F)C(C)C 527a_100021981578_100103153847 [0,0,0,0,0,1|2,0,1]=4 98 B14R1.4450 CC(=O)c1cccc(c1C)OC(C)C 34a_200009877264_100000210206 [0,0,0,0,0,1|2,0,1]=4 99 B14R1.4450 CC(=O)c1cccc(c1C)OC(C)C 7a_200009877264_100000210206 [0,0,0,0,0,1|2,0,1]=4 100 B14R1.4450 CC(=O)c1cccc(c1C)SC(C)C 62a_100000210206_100012706834 [0,0,0,0,0,1|2,0,1]=4 101 B14R1.4450 CC(=O)c1cccc(c1C)SC(C)C 62a_100012706834_100000210206 [0,0,0,0,0,1|2,0,1]=4 102 B14R1.4450 CC(=O)c1cccc(c1F)OC(C)C 1458a_200015556784_200000210301 [0,0,0,0,0,1|2,0,1]=4 103 B14R1.4450 CC(=O)c1cccc(c1F)OC(C)C 34a_100009856408_100000210206 [0,0,0,0,0,1|2,0,1]=4 104 B14R1.4450 CC(=O)c1cccc(c1F)OC(C)C 7a_100009856408_100000210206 [0,0,0,0,0,1|2,0,1]=4 105 B14R1.4450 CC(=O)c1cccc(c1F)SC(C)C 62a_100000210206_100012355707 [0,0,0,0,0,1|2,0,1]=4 106 B14R1.4450 CC(=O)c1cccc(c1F)SC(C)C 62a_100012355707_100000210206 [0,0,0,0,0,1|2,0,1]=4 107 B14R1.4450 CC(=O)c1cccc(c1N)OC(C)C 7a_100000036053_100000210206 [0,0,0,0,0,1|2,0,1]=4 108 B14R1.4450 CC(=O)c1cccc(c1O)C=C(C)C 271570a_100102525489_100009815558 [0,0,0,0,0,1|1,0,2]=4 109 B14R1.4450 CC(C)Nc1cccc(c1F)C(C)C 34a_100021981578_100000210206 [0,0,0,0,0,1|1,0,0]=2 110 B14R1.4450 CC(C)Nc1cccc(c1F)C(C)C 7a_100021981578_100000210206 [0,0,0,0,0,1|1,0,0]=2 111 B14R1.4450 CC(C)Oc1cccc(c1F)C(=O)[13CH3] 1458a_200015556784_200025704644 [0,0,0,0,0,1|2,0,1]=4 112 B14R1.4450 CC(C)Sc1cccc(c1F)C(C)O 62a_100000210206_200012356376 [0,0,0,0,0,1|2,0,0]=3 113 B14R1.4450 CC(C)Sc1cccc(c1F)C(C)O 62a_200012356376_100000210206 [0,0,0,0,0,1|2,0,0]=3 114 B14R1.4450 CC(C)Sc1cccc(c1F)C(F)F 62a_100000210206_100010189892 [0,0,0,0,0,1|3,0,0]=4 115 B14R1.4450 CC(C)Sc1cccc(c1F)C(F)F 62a_100010189892_100000210206 [0,0,0,0,0,1|3,0,0]=4 116 B14R1.4450 CC(C)Sc1cccc(c1N)C(C)C 62a_100000210206_100010571509 [0,0,0,0,0,1|1,0,0]=2 117 B14R1.4450 CC(C)Sc1cccc(c1N)C(C)C 62a_100010571509_100000210206 [0,0,0,0,0,1|1,0,0]=2 118 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [2,0,0,0,0,0|0,0,2]=4 119 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [2,0,0,0,0,0|0,0,2]=4 120 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_100010237922_200025704644 [2,0,0,0,0,0|2,0,0]=4 121 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100010237922 [2,0,0,0,0,0|2,0,0]=4 122 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [2,0,0,0,0,0|1,0,0]=3 123 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [2,0,0,0,0,0|1,0,0]=3 124 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [2,0,0,0,0,0|1,0,0]=3 125 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [2,0,0,0,0,0|1,0,0]=3 126 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [2,0,0,0,0,0|1,0,0]=3 127 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [2,0,0,0,0,0|1,0,0]=3 128 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [2,0,0,0,0,0|1,0,0]=3 129 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_100012318657_200025704644 [2,0,0,0,0,0|2,0,0]=4 130 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_200025704644_100012318657 [2,0,0,0,0,0|2,0,0]=4 131 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_100010237925_200025704644 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100010237925 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200010191214_200025704644 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200025704644_200010191214 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [2,0,0,0,0,0|2,0,0]=4 137 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_100020642005_200025704644 [2,0,0,0,0,0|2,0,0]=4 138 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020642005 [2,0,0,0,0,0|2,0,0]=4 139 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [2,0,0,0,0,0|2,0,0]=4 140 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [2,0,0,0,0,0|2,0,0]=4 141 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [2,0,0,0,0,0|2,0,0]=4 142 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [2,0,0,0,0,0|2,0,0]=4 143 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [2,0,0,0,0,0|2,0,0]=4 144 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [2,0,0,0,0,0|2,0,0]=4 145 B11R1.266 CCc1cc(ccn1)N(C)C 27a_100102631434_100009820011 [2,0,0,0,0,0|2,0,0]=4 146 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [2,0,0,0,0,0|1,0,1]=4 147 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [2,0,0,0,0,0|1,0,1]=4 148 B11R1.266 CCc1ccnc(c1)N(C)C 27a_100102631434_100009817561 [2,0,0,0,0,0|2,0,0]=4 149 B11R1.266 CN(C)c1cccc(c1)N[13CH3] 34a_100000209982_200025704644 [2,0,0,0,0,0|2,0,0]=4 150 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [2,0,0,0,0,0|2,0,0]=4 151 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_100011215952_200025704644 [2,0,0,0,0,0|2,0,0]=4 152 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011215952 [2,0,0,0,0,0|2,0,0]=4 153 B11R1.266 CNc1cc(ccn1)C(C)C 27a_100102657272_100010237925 [2,0,0,0,0,0|2,0,0]=4 154 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [2,0,0,0,0,0|1,0,0]=3 155 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [2,0,0,0,0,0|1,0,0]=3 156 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [2,0,0,0,0,0|1,0,0]=3 157 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [2,0,0,0,0,0|2,0,0]=4 158 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [2,0,0,0,0,0|2,0,0]=4 159 B11R1.266 CNc1cccc(c1)N(C)C 34a_100000209982_200000210301 [2,0,0,0,0,0|2,0,0]=4 160 B11R1.266 CNc1cccc(n1)C(C)C 27a_100102657272_100012318657 [2,0,0,0,0,0|2,0,0]=4 161 B11R1.266 CNc1ccnc(c1)C(C)C 27a_100102657272_100010237922 [2,0,0,0,0,0|2,0,0]=4 162 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [2,0,0,0,0,0|1,0,0]=3 163 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [2,0,0,0,0,0|1,0,0]=3 164 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [2,0,0,0,0,0|2,0,0]=4 165 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [2,0,0,0,0,0|2,0,0]=4 166 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [2,0,0,0,0,0|2,0,0]=4 167 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [2,0,0,0,0,0|2,0,0]=4 168 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [2,0,0,0,0,0|2,0,0]=4 169 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [2,0,0,0,0,0|2,0,0]=4 170 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [2,0,0,0,0,0|2,0,0]=4 171 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [2,0,0,0,0,0|2,0,0]=4 172 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [2,0,0,0,0,0|2,0,0]=4 173 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [2,0,0,0,0,0|2,0,0]=4 174 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [2,0,0,0,0,0|2,0,0]=4 175 B11R1.266 CSc1cc(ccn1)C(C)C 62a_100010237925_200000210301 [2,0,0,0,0,0|2,0,0]=4 176 B11R1.266 CSc1cc(ccn1)C(C)C 62a_200000210301_100010237925 [2,0,0,0,0,0|2,0,0]=4 177 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [2,0,0,0,0,0|1,0,0]=3 178 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [2,0,0,0,0,0|1,0,0]=3 179 B11R1.266 CSc1cccc(c1)C(C)N 62a_100020642005_200000210301 [2,0,0,0,0,0|2,0,0]=4 180 B11R1.266 CSc1cccc(c1)C(C)N 62a_200000210301_100020642005 [2,0,0,0,0,0|2,0,0]=4 181 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [2,0,0,0,0,0|2,0,0]=4 182 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [2,0,0,0,0,0|2,0,0]=4 183 B11R1.266 CSc1cccc(c1)N(C)C 2230a_100020672454_200000210301 [2,0,0,0,0,0|2,0,0]=4 184 B11R1.266 CSc1cccc(c1)N(C)C 269982a_100020672454_200000210301 [2,0,0,0,0,0|2,0,0]=4 185 B11R1.266 CSc1cccc(c1)N(C)C 34a_100020672454_200000210301 [2,0,0,0,0,0|2,0,0]=4 186 B11R1.266 CSc1cccc(c1)N(C)C 62a_100011215952_200000210301 [2,0,0,0,0,0|2,0,0]=4 187 B11R1.266 CSc1cccc(c1)N(C)C 62a_200000210301_100011215952 [2,0,0,0,0,0|2,0,0]=4 188 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 2230a_100020672454_200025704644 [2,0,0,0,0,0|2,0,0]=4 189 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 269982a_100020672454_200025704644 [2,0,0,0,0,0|2,0,0]=4 190 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 34a_100020672454_200025704644 [2,0,0,0,0,0|2,0,0]=4 191 B11R1.266 CSc1cccc(n1)C(C)C 62a_100012318657_200000210301 [2,0,0,0,0,0|2,0,0]=4 192 B11R1.266 CSc1cccc(n1)C(C)C 62a_200000210301_100012318657 [2,0,0,0,0,0|2,0,0]=4 193 B11R1.266 CSc1ccnc(c1)C(C)C 62a_100010237922_200000210301 [2,0,0,0,0,0|2,0,0]=4 194 B11R1.266 CSc1ccnc(c1)C(C)C 62a_200000210301_100010237922 [2,0,0,0,0,0|2,0,0]=4 195 B11R1.266 CSc1cncc(c1)C(C)C 62a_200000210301_200010191214 [2,0,0,0,0,0|2,0,0]=4 196 B11R1.266 CSc1cncc(c1)C(C)C 62a_200010191214_200000210301 [2,0,0,0,0,0|2,0,0]=4 197 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [2,0,0,0,0,0|0,0,2]=4 198 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [2,0,0,0,0,0|1,0,1]=4 199 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [2,0,0,0,0,0|2,0,0]=4 200 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [2,0,0,0,0,0|1,0,1]=4 201 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [2,0,0,0,0,0|0,0,2]=4 202 B11R1.267 CCc1cccc(c1O)CC 271570a_203496583355_100010212195 [2,0,0,0,0,0|0,0,0]=2 203 B11R1.267 CCc1cccc(c1O)SC 62a_200000210301_200010001580 [2,0,0,0,0,0|1,0,0]=3 204 B11R1.267 CCc1cccc(c1O)SC 62a_200010001580_200000210301 [2,0,0,0,0,0|1,0,0]=3 205 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200010001580_200025704644 [2,0,0,0,0,0|1,0,0]=3 206 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200025704644_200010001580 [2,0,0,0,0,0|1,0,0]=3 207 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [2,0,0,0,0,0|2,0,0]=4 208 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [2,0,0,0,0,0|2,0,0]=4 209 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [2,0,0,0,0,0|2,0,0]=4 210 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [2,0,0,0,0,0|2,0,0]=4 211 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [2,0,0,0,0,0|2,0,0]=4 212 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [2,0,0,0,0,0|2,0,0]=4 213 B13R1.13 C=C(C)c1cc(ccc1N)C(C)C 271570a_100000694244_100011218581 [1,1,0,0,0,0|0,0,2]=4 214 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)F 271570a_100000694244_200053017515 [1,1,0,0,0,0|0,0,2]=4 215 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)N 271570a_100000694244_100000694223 [1,1,0,0,0,0|0,0,2]=4 216 B13R1.13 C=C(C)c1ccc(c(c1)C(C)C)O 271570a_100000694244_100000691460 [1,1,0,0,0,0|0,0,2]=4 217 B13R1.13 CC(=O)c1ccc(c(c1)C(C)C)Br 1458a_100010202910_200000210301 [1,1,0,0,0,0|1,0,1]=4 218 B13R1.13 CC(C)c1cc(ccc1Br)C(=O)[13CH3] 1458a_100010202910_200025704644 [1,1,0,0,0,0|1,0,1]=4 219 B13R1.126 C=C(C)c1cc(cc(c1)C(C)C)Br 271570a_100000694244_200015473176 [1,1,0,0,0,0|0,0,2]=4 220 B13R1.126 C=C(C)c1cc(cc(c1)C(C)C)N 271570a_100000694244_100010369243 [1,1,0,0,0,0|0,0,2]=4 221 B13R1.126 CC(=O)c1cc(cc(c1)C(C)C)Br 1458a_100010257297_200000210301 [1,1,0,0,0,0|1,0,1]=4 222 B13R1.126 CC(C)c1cc(cc(c1)C(=O)[13CH3])Br 1458a_100010257297_200025704644 [1,1,0,0,0,0|1,0,1]=4 223 B13R1.126 CC(C)c1cc(cc(c1)C(C)C)O 271570a_203496583355_100010141315 [1,1,0,0,0,0|0,0,0]=2 224 B13R1.345 C=C(C)c1cccc(c1)C(C)(C)C 271570a_100000694244_100009816526 [1,1,0,0,0,0|0,0,2]=4 225 B13R1.345 C=C(C)c1cccc(c1)C(C)(C)N 271570a_100000694244_100016995529 [1,1,0,0,0,0|0,0,2]=4 226 B13R1.345 C=C(C)c1cccc(c1)C(C)(C)O 271570a_100000694244_100011346009 [1,1,0,0,0,0|0,0,2]=4 227 B13R1.345 CC(=O)c1cccc(c1)C(C)(C)C 1458a_100000066590_200000210301 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.345 CC(=O)c1cccc(c1)C(C)(C)O 1458a_100000117378_200000210301 [1,1,0,0,0,0|1,0,1]=4 229 B13R1.345 CC(C)(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000066590_200025704644 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.345 CC(C)(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000117378_200025704644 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.345 CN(C)c1cccc(n1)C(C)(C)C 27a_100102631434_100010205033 [1,1,0,0,0,0|2,0,0]=4 232 B13R1.345 CN(C)c1cccc(n1)C(C)(C)O 27a_100102631434_100010074359 [1,1,0,0,0,0|2,0,0]=4 233 B13R1.345 CN(C)c1ccnc(c1)C(C)(C)C 27a_100102631434_100010237918 [1,1,0,0,0,0|2,0,0]=4 234 B13R1.345 CN(C)c1ccnc(c1)C(C)(C)F 27a_100102631434_100015973028 [1,1,0,0,0,0|2,0,0]=4 235 B13R1.345 CN(C)c1ccnc(c1)C(C)(C)O 27a_100102631434_100010174121 [1,1,0,0,0,0|2,0,0]=4 236 B13R1.543 C=C(C)c1cccc(c1)C(C)NC 271570a_100000694244_100025717457 [1,1,0,0,0,0|0,0,2]=4 237 B13R1.543 CC(C)c1cccc(c1)C(=O)CF 1458a_100011934808_100015361967 [1,1,0,0,0,0|1,0,1]=4 238 B13R1.543 CCC(=O)c1cccc(c1)C(C)C 1458a_100011934808_100000210202 [1,1,0,0,0,0|1,0,1]=4 239 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 11a_106832991635_100011934808 [1,1,0,0,0,0|1,0,1]=4 240 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 1626a_100102657272_100011934808 [1,1,0,0,0,0|1,0,1]=4 241 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 240690a_100102657272_100011934808 [1,1,0,0,0,0|1,0,1]=4 242 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 527a_100102657272_100011934808 [1,1,0,0,0,0|1,0,1]=4 243 B13R1.543 CNC(C)c1cc(ccn1)N(C)C 270004a_106832991635_100000144786 [1,1,0,0,0,0|2,0,0]=4 244 B13R1.543 CNC(C)c1ccnc(c1)C(C)C 269862a_106832991636_200009850310 [1,1,0,0,0,0|1,0,0]=3 245 B13R1.82 CCc1cccc(c1O)C(=O)OC 271570a_203496583355_200009992460 [1,1,0,0,0,0|1,0,1]=4 246 B13R1.82 CNC(C)c1cccc(c1F)OC 269862a_106832991636_100012180810 [1,1,0,0,0,0|2,0,0]=4 247 B13R1.82 COC(C)c1cccc(c1F)SC 62a_200000210301_200010365929 [1,1,0,0,0,0|2,0,0]=4 248 B13R1.82 COC(C)c1cccc(c1F)SC 62a_200010365929_200000210301 [1,1,0,0,0,0|2,0,0]=4 249 B13R1.82 COC(C)c1cccc(c1F)S[13CH3] 62a_200010365929_200025704644 [1,1,0,0,0,0|2,0,0]=4 250 B13R1.82 COC(C)c1cccc(c1F)S[13CH3] 62a_200025704644_200010365929 [1,1,0,0,0,0|2,0,0]=4 251 B13R1.299 CC(C)c1cc(cc(c1N)S[13CH3])F 62a_200025704644_202125602415 [1,1,0,0,0,0|2,0,0]=4 252 B13R1.299 CC(C)c1cc(cc(c1N)S[13CH3])F 62a_202125602415_200025704644 [1,1,0,0,0,0|2,0,0]=4 253 B13R1.299 CSc1cc(cc(c1N)C(C)C)F 62a_200000210301_202125602415 [1,1,0,0,0,0|2,0,0]=4 254 B13R1.299 CSc1cc(cc(c1N)C(C)C)F 62a_202125602415_200000210301 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.377 CC(C)c1cccc(c1F)NCF 34a_100021981578_100015361967 [1,1,0,0,0,0|2,0,0]=4 256 B13R1.377 CC(C)c1cccc(c1F)NCF 7a_100021981578_100015361967 [1,1,0,0,0,0|2,0,0]=4 257 B13R1.377 CC(C)c1cccc(c1N)SCF 62a_100010571509_100015361967 [1,1,0,0,0,0|2,0,0]=4 258 B13R1.377 CC(C)c1cccc(c1N)SCF 62a_100015361967_100010571509 [1,1,0,0,0,0|2,0,0]=4 259 B13R1.377 CC=Cc1cccc(c1N)C(C)C 271570a_100016259895_100010571509 [1,1,0,0,0,0|1,0,1]=4 260 B13R1.377 CCNc1cccc(c1F)C(C)C 34a_100021981578_100000210202 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.377 CCNc1cccc(c1F)C(C)C 7a_100021981578_100000210202 [1,1,0,0,0,0|1,0,0]=3 262 B13R1.377 CCSc1cccc(c1F)C(C)O 62a_100000210202_200012356376 [1,1,0,0,0,0|2,0,0]=4 263 B13R1.377 CCSc1cccc(c1F)C(C)O 62a_200012356376_100000210202 [1,1,0,0,0,0|2,0,0]=4 264 B13R1.377 CCSc1cccc(c1N)C(C)C 62a_100000210202_100010571509 [1,1,0,0,0,0|1,0,0]=3 265 B13R1.377 CCSc1cccc(c1N)C(C)C 62a_100010571509_100000210202 [1,1,0,0,0,0|1,0,0]=3 266 B13R1.645 C=Cc1cccc(c1O)C(C)(C)C 271570a_100011290941_100010083445 [1,1,0,0,0,0|0,0,2]=4 267 B13R1.645 CC(C)(C)c1cccc(c1O)S[13CH3] 62a_100010083445_200025704644 [1,1,0,0,0,0|1,0,0]=3 268 B13R1.645 CC(C)(C)c1cccc(c1O)S[13CH3] 62a_200025704644_100010083445 [1,1,0,0,0,0|1,0,0]=3 269 B13R1.645 CSc1cccc(c1O)C(C)(C)C 62a_100010083445_200000210301 [1,1,0,0,0,0|1,0,0]=3 270 B13R1.645 CSc1cccc(c1O)C(C)(C)C 62a_200000210301_100010083445 [1,1,0,0,0,0|1,0,0]=3 271 B15R1.97 CC(C)Sc1cccc(c1C=O)N(C)C 62a_100010365569_100000210206 [0,1,0,0,0,1|1,0,1]=4 272 B15R1.97 COc1c(cccc1C(=O)C)SC(C)C 62a_100010725610_100000210206 [0,1,0,0,0,1|1,0,1]=4 273 B15R1.969 COC(=O)c1cccc(c1O)SC(C)C 62a_100009816214_100000210206 [0,1,0,0,0,1|1,0,1]=4 274 B15R1.969 COC(C)c1cccc(c1F)C=C(C)C 271570a_100102525489_200010365929 [0,1,0,0,0,1|1,0,1]=4 275 B15R1.969 COC(C)c1cccc(c1F)SC(C)C 62a_100000210206_200010365929 [0,1,0,0,0,1|1,0,0]=3 276 B15R1.969 COC(C)c1cccc(c1F)SC(C)C 62a_200010365929_100000210206 [0,1,0,0,0,1|1,0,0]=3 277 B15R1.3540 CC(=Cc1cc(cc(c1N)C(C)C)F)C 271570a_100102525489_202125602415 [0,1,0,0,0,1|1,0,1]=4 278 B15R1.3540 CC(=O)c1cc(cc(c1O)SC(C)C)C 62a_100000210206_100011659362 [0,1,0,0,0,1|1,0,1]=4 279 B15R1.3540 CC(C)Sc1cc(cc(c1N)C(C)C)F 62a_100000210206_202125602415 [0,1,0,0,0,1|1,0,0]=3 280 B15R1.3540 CC(C)Sc1cc(cc(c1N)C(C)C)F 62a_202125602415_100000210206 [0,1,0,0,0,1|1,0,0]=3 281 B15R1.3540 Cc1cc(c(c(n1)NC(C)C)C)C(C)C 27a_100138425928_202495333933 [0,1,0,0,0,1|2,0,0]=4 282 B15R1.3540 Cc1cc(c(c(n1)SC(C)C)C)C(C)C 62a_100000210206_202495333933 [0,1,0,0,0,1|2,0,0]=4 283 B15R1.3540 Cc1cc(c(c(n1)SC(C)C)C)C(C)C 62a_202495333933_100000210206 [0,1,0,0,0,1|2,0,0]=4 284 B15R1.3842 C#CC(C)Nc1cccc(c1F)C(C)C 34a_100021981578_200000035995 [0,1,0,0,0,1|1,0,1]=4 285 B15R1.3842 C#CC(C)Sc1cccc(c1N)C(C)C 62a_200000035995_100010571509 [0,1,0,0,0,1|1,0,1]=4 286 B15R1.3842 C=CC(C)Sc1cccc(c1N)C(C)C 62a_100011215867_100010571509 [0,1,0,0,0,1|1,0,1]=4 287 B15R1.3842 CC(C#N)Nc1cccc(c1F)C(C)C 7a_100021981578_100000703298 [0,1,0,0,0,1|1,0,1]=4 288 B15R1.3842 CC(C#N)Sc1cccc(c1N)C(C)C 62a_100000703298_100010571509 [0,1,0,0,0,1|1,0,1]=4 289 B15R1.3842 CC(C#N)Sc1cccc(c1N)C(C)C 62a_100010571509_100000703298 [0,1,0,0,0,1|1,0,1]=4 290 B15R1.3842 CC(C)c1cccc(c1N)S[C@H](C)CO 62a_100010571509_100016084084 [0,1,0,0,0,1|1,0,0]=3 291 B15R1.3842 CC(C)c1cccc(c1N)S[C@H](C)CO 62a_100016084084_100010571509 [0,1,0,0,0,1|1,0,0]=3 292 B15R1.3842 CC(CO)Nc1cccc(c1F)C(C)C 34a_100021981578_100012180447 [0,1,0,0,0,1|1,0,0]=3 293 B15R1.3842 CC(CO)Nc1cccc(c1F)C(C)C 7a_100021981578_100012180447 [0,1,0,0,0,1|1,0,0]=3 294 B15R1.3842 CC(CO)Sc1cccc(c1F)C(C)O 62a_100012180447_200012356376 [0,1,0,0,0,1|2,0,0]=4 295 B15R1.3842 CC(CO)Sc1cccc(c1N)C(C)C 62a_100012180447_100010571509 [0,1,0,0,0,1|1,0,0]=3 296 B15R1.3842 CC(O)c1cccc(c1F)S[C@H](C)CO 62a_100016084084_200012356376 [0,1,0,0,0,1|2,0,0]=4 297 B15R1.3842 CC(O)c1cccc(c1F)S[C@H](C)CO 62a_200012356376_100016084084 [0,1,0,0,0,1|2,0,0]=4 298 B15R1.3842 CCC(C)Nc1cccc(c1F)C(C)C 34a_100021981578_100011215416 [0,1,0,0,0,1|1,0,0]=3 299 B15R1.3842 CCC(C)Nc1cccc(c1F)C(C)C 7a_100021981578_100000758301 [0,1,0,0,0,1|1,0,0]=3 300 B15R1.3842 CCC(C)Sc1cccc(c1F)C(C)O 62a_100000758301_200012356376 [0,1,0,0,0,1|2,0,0]=4 301 B15R1.3842 CCC(C)Sc1cccc(c1F)C(C)O 62a_200012356376_100000758301 [0,1,0,0,0,1|2,0,0]=4 302 B15R1.3842 CCC(C)Sc1cccc(c1N)C(C)C 62a_100000758301_100010571509 [0,1,0,0,0,1|1,0,0]=3 303 B15R1.3842 CCC(C)Sc1cccc(c1N)C(C)C 62a_100010571509_100000758301 [0,1,0,0,0,1|1,0,0]=3 304 B15R1.3842 COC(C)Sc1cccc(c1F)C(C)O 62a_100009879195_200012356376 [0,1,0,0,0,1|2,0,0]=4 305 B15R1.3842 COC(C)Sc1cccc(c1F)C(C)O 62a_200012356376_100009879195 [0,1,0,0,0,1|2,0,0]=4 306 B15R1.3842 COC(C)Sc1cccc(c1N)C(C)C 62a_100009879195_100010571509 [0,1,0,0,0,1|1,0,0]=3 307 B15R1.3842 COC(C)Sc1cccc(c1N)C(C)C 62a_100010571509_100009879195 [0,1,0,0,0,1|1,0,0]=3 308 B15R1.23438 CC(=C(C)c1cccc(c1N)C(C)C)C 271570a_200000049429_100010571509 [0,1,0,0,0,1|1,0,1]=4 309 B15R1.23438 CC(C)C(=O)c1cccc(c1O)C(C)C 1458a_200011217578_100000210206 [0,1,0,0,0,1|0,0,0]=2 310 B15R1.23438 CC(C)c1cccc(c1O)C(=O)N(C)C 240690a_100102631434_200011217578 [0,1,0,0,0,1|1,0,0]=3 311 B15R1.23438 CC(C)c1cccc(c1O)C(=O)N(C)C 527a_100102631434_200011217578 [0,1,0,0,0,1|1,0,0]=3 312 B15R1.25136 CC(=Cc1cccc(c1O)C(C)(C)C)C 271570a_100102525489_100010083445 [0,1,0,0,0,1|0,0,1]=3 313 B15R1.25136 CC(C)Nc1cccc(c1O)C(F)(F)F 34a_100000069223_100000210206 [0,1,0,0,0,1|2,0,0]=4 314 B15R1.25136 CC(C)Nc1cccc(c1O)C(F)(F)F 7a_100000069223_100000210206 [0,1,0,0,0,1|2,0,0]=4 315 B15R1.25136 CC(C)Sc1cccc(c1O)C(C)(C)C 62a_100000210206_100010083445 [0,1,0,0,0,1|0,0,0]=2 316 B15R1.25136 CC(C)Sc1cccc(c1O)C(C)(C)C 62a_100010083445_100000210206 [0,1,0,0,0,1|0,0,0]=2 317 B15R1.25136 CC(C)Sc1cccc(c1O)C(F)(F)F 62a_100000210206_100009888968 [0,1,0,0,0,1|2,0,0]=4 318 B15R1.25136 CC(C)Sc1cccc(c1O)C(F)(F)F 62a_100009888968_100000210206 [0,1,0,0,0,1|2,0,0]=4 319 B15R1.25136 CN(C)Cc1cccc(c1O)C(C)(C)C 270004a_100102631434_100011219724 [0,1,0,0,0,1|1,0,0]=3 320 B15R1.25700 CC(C)c1cccc(c1F)NC(C)(C)C 34a_100021981578_100000210625 [0,1,0,0,0,1|1,0,0]=3 321 B15R1.25700 CC(C)c1cccc(c1N)SC(C)(C)C 62a_100000211941_100010571509 [0,1,0,0,0,1|1,0,0]=3 322 B15R1.25700 CC(C)c1cccc(c1N)SC(C)(C)C 62a_100010571509_100000211941 [0,1,0,0,0,1|1,0,0]=3 323 B15R1.25700 CC(O)c1cccc(c1F)SC(C)(C)C 62a_100000211941_200012356376 [0,1,0,0,0,1|2,0,0]=4 324 B15R1.25700 CC(O)c1cccc(c1F)SC(C)(C)C 62a_200012356376_100000211941 [0,1,0,0,0,1|2,0,0]=4 325 B15R1.4698 C=C(C)c1cccc(c1OC)C(C)(C)C 271570a_100000694244_200010759305 [0,2,0,0,0,0|0,0,2]=4 326 B15R1.4698 CC(C)c1cccc(c1O[13CH3])[Si](C)(C)C 7a_200010665438_200025704644 [0,2,0,0,0,0|0,1,0]=3 327 B15R1.4698 COc1c(cccc1[Si](C)(C)C)C(C)C 7a_200010665438_200000210301 [0,2,0,0,0,0|0,1,0]=3 328 B15R1.4816 COC(=O)c1cccc(c1OC)C(C)C 34a_100010659218_200000210301 [0,2,0,0,0,0|1,0,1]=4 329 B15R1.4816 COC(=O)c1cccc(c1OC)C(C)C 7a_100010659218_200000210301 [0,2,0,0,0,0|1,0,1]=4 330 B15R1.4816 COC(=O)c1cccc(c1O[13CH3])C(C)C 34a_100010659218_200025704644 [0,2,0,0,0,0|1,0,1]=4 331 B15R1.4816 COC(=O)c1cccc(c1O[13CH3])C(C)C 7a_100010659218_200025704644 [0,2,0,0,0,0|1,0,1]=4 332 B15R1.7297 C=C=Cc1c(cccc1C(C)C)C(C)C 271570a_100015277604_100009817198 [0,2,0,0,0,0|1,0,0]=3 333 B15R1.7297 CC(C)c1cccc(c1NCF)C(C)C 34a_100000210307_100015361967 [0,2,0,0,0,0|1,0,0]=3 334 B15R1.7297 CC(C)c1cccc(c1NCF)C(C)C 7a_100000210307_100015361967 [0,2,0,0,0,0|1,0,0]=3 335 B15R1.7297 CC(C)c1cccc(c1OCF)C(C)C 34a_100011218711_100015361967 [0,2,0,0,0,0|0,0,0]=2 336 B15R1.7297 CC(C)c1cccc(c1OCF)C(C)C 7a_100011218711_100015361967 [0,2,0,0,0,0|0,0,0]=2 337 B15R1.7297 CC(C)c1cccc(c1SCF)C(C)C 62a_100009817198_100015361967 [0,2,0,0,0,0|0,1,0]=3 338 B15R1.7297 CC(C)c1cccc(c1SCF)C(C)C 62a_100015361967_100009817198 [0,2,0,0,0,0|0,1,0]=3 339 B15R1.7297 CC=Cc1c(cccc1C(C)C)C(C)C 271570a_100016259895_100009817198 [0,2,0,0,0,0|1,0,0]=3 340 B15R1.7297 CCNc1c(cccc1C(C)C)C(C)C 2230a_100000210307_100000210202 [0,2,0,0,0,0|1,0,0]=3 341 B15R1.7297 CCNc1c(cccc1C(C)C)C(C)C 34a_100000210307_100000210202 [0,2,0,0,0,0|1,0,0]=3 342 B15R1.7297 CCNc1c(cccc1C(C)C)C(C)C 7a_100000210307_100000210202 [0,2,0,0,0,0|1,0,0]=3 343 B15R1.7297 CCOc1c(cccc1C(C)C)C(C)C 34a_100011218711_100000210202 [0,2,0,0,0,0|0,0,0]=2 344 B15R1.7297 CCOc1c(cccc1C(C)C)C(C)C 7a_100011218711_100000210202 [0,2,0,0,0,0|0,0,0]=2 345 B15R1.7297 CCSc1c(cccc1C(C)C)C(C)C 62a_100000210202_100009817198 [0,2,0,0,0,0|0,1,0]=3 346 B15R1.7297 CCSc1c(cccc1C(C)C)C(C)C 62a_100009817198_100000210202 [0,2,0,0,0,0|0,1,0]=3 347 B15R1.7297 CNCc1c(cccc1C(C)C)C(C)C 26a_100102657272_100011218711 [0,2,0,0,0,0|1,0,0]=3 348 B15R1.9046 C=C(C)c1c(cccc1C(C)C)C(C)C 271570a_100000694244_100009817198 [0,2,0,0,0,0|1,0,0]=3 349 B15R1.9046 CC(=O)c1c(cccc1C(C)C)C(C)C 1458a_100000025404_200000210301 [0,2,0,0,0,0|0,0,1]=3 350 B15R1.9046 CC(C)c1cccc(c1C(=O)[13CH3])C(C)C 1458a_100000025404_200025704644 [0,2,0,0,0,0|0,0,1]=3 351 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)Br 2230a_100010205856_200025704644 [0,2,0,0,0,0|1,0,0]=3 352 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)Br 34a_100010205856_200025704644 [0,2,0,0,0,0|1,0,0]=3 353 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)Br 7a_100010205856_200025704644 [0,2,0,0,0,0|1,0,0]=3 354 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)Cl 2230a_200010571439_200025704644 [0,2,0,0,0,0|1,0,0]=3 355 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)Cl 34a_200010571439_200025704644 [0,2,0,0,0,0|1,0,0]=3 356 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)Cl 7a_200010571439_200025704644 [0,2,0,0,0,0|1,0,0]=3 357 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)F 2230a_100160480120_200025704644 [0,2,0,0,0,0|1,0,0]=3 358 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)F 34a_100160480120_200025704644 [0,2,0,0,0,0|1,0,0]=3 359 B15R1.21567 CC(C)c1cc(cc(c1N[13CH3])C(C)C)F 7a_100160480120_200025704644 [0,2,0,0,0,0|1,0,0]=3 360 B15R1.21567 CC(C)c1cc(cc(c1O[13CH3])C(C)C)Br 34a_200010782092_200025704644 [0,2,0,0,0,0|0,0,0]=2 361 B15R1.21567 CC(C)c1cc(cc(c1O[13CH3])C(C)C)Br 7a_200010782092_200025704644 [0,2,0,0,0,0|0,0,0]=2 362 B15R1.21567 CC(C)c1cc(cc(c1O[13CH3])C(C)C)N 34a_200000012011_200025704644 [0,2,0,0,0,0|0,0,0]=2 363 B15R1.21567 CC(C)c1cc(cc(c1O[13CH3])C(C)C)N 7a_200000012011_200025704644 [0,2,0,0,0,0|0,0,0]=2 364 B15R1.21567 CNc1c(cc(cc1C(C)C)Br)C(C)C 2230a_100010205856_200000210301 [0,2,0,0,0,0|1,0,0]=3 365 B15R1.21567 CNc1c(cc(cc1C(C)C)Br)C(C)C 34a_100010205856_200000210301 [0,2,0,0,0,0|1,0,0]=3 366 B15R1.21567 CNc1c(cc(cc1C(C)C)Br)C(C)C 7a_100010205856_200000210301 [0,2,0,0,0,0|1,0,0]=3 367 B15R1.21567 CNc1c(cc(cc1C(C)C)Cl)C(C)C 2230a_200010571439_200000210301 [0,2,0,0,0,0|1,0,0]=3 368 B15R1.21567 CNc1c(cc(cc1C(C)C)Cl)C(C)C 34a_200010571439_200000210301 [0,2,0,0,0,0|1,0,0]=3 369 B15R1.21567 CNc1c(cc(cc1C(C)C)Cl)C(C)C 7a_200010571439_200000210301 [0,2,0,0,0,0|1,0,0]=3 370 B15R1.21567 CNc1c(cc(cc1C(C)C)F)C(C)C 2230a_100160480120_200000210301 [0,2,0,0,0,0|1,0,0]=3 371 B15R1.21567 CNc1c(cc(cc1C(C)C)F)C(C)C 34a_100160480120_200000210301 [0,2,0,0,0,0|1,0,0]=3 372 B15R1.21567 CNc1c(cc(cc1C(C)C)F)C(C)C 7a_100160480120_200000210301 [0,2,0,0,0,0|1,0,0]=3 373 B15R1.21567 COc1c(cc(cc1C(C)C)Br)C(C)C 34a_200010782092_200000210301 [0,2,0,0,0,0|0,0,0]=2 374 B15R1.21567 COc1c(cc(cc1C(C)C)Br)C(C)C 7a_200010782092_200000210301 [0,2,0,0,0,0|0,0,0]=2 375 B15R1.21567 COc1c(cc(cc1C(C)C)N)C(C)C 34a_200000012011_200000210301 [0,2,0,0,0,0|0,0,0]=2 376 B15R1.21567 COc1c(cc(cc1C(C)C)N)C(C)C 7a_200000012011_200000210301 [0,2,0,0,0,0|0,0,0]=2 377 B15R1.801 C#CCC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_100000184674 [0,2,0,0,0,0|1,0,1]=4 378 B15R1.801 C=CCC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_100000210623 [0,2,0,0,0,0|1,0,1]=4 379 B15R1.801 CC(C)c1cccc(c1O)C(=O)CC#N 1458a_200011217578_100011214920 [0,2,0,0,0,0|1,0,1]=4 380 B15R1.801 CC(C)c1cccc(c1O)C(=O)CCF 1458a_200011217578_100011217306 [0,2,0,0,0,0|1,0,1]=4 381 B15R1.801 CC(C)c1cccc(c1O)C(=O)CCO 1458a_200011217578_100000211926 [0,2,0,0,0,0|1,0,1]=4 382 B15R1.801 CCCC(=O)c1cccc(c1O)C(C)C 1458a_200011217578_100000210303 [0,2,0,0,0,0|1,0,1]=4 383 B15R1.801 CCNC(=O)c1cccc(c1O)C(C)C 240690a_100015525214_200011217578 [0,2,0,0,0,0|1,0,1]=4 384 B15R1.801 CCNC(=O)c1cccc(c1O)C(C)C 527a_100015525214_200011217578 [0,2,0,0,0,0|1,0,1]=4 385 B15R1.801 CNNC(=O)c1cccc(c1O)C(C)C 22a_100016993582_200011217578 [0,2,0,0,0,0|1,0,1]=4 386 B15R1.38388 CCC(=O)c1c(ccc(c1O)C(C)C)C 1458a_100011217990_100000210202 [0,2,0,0,0,0|1,0,1]=4 387 B15R1.38388 CNC(=O)c1c(ccc(c1O)C(C)C)C 1626a_100102657272_100011217990 [0,2,0,0,0,0|1,0,1]=4 388 B15R1.38388 CNC(=O)c1c(ccc(c1O)C(C)C)C 240690a_100102657272_100011217990 [0,2,0,0,0,0|1,0,1]=4 389 B15R1.38388 Cc1ccc(c(c1C(=O)CF)O)C(C)C 1458a_100011217990_100015361967 [0,2,0,0,0,0|1,0,1]=4 390 B15R1.688 C=Cc1cc(c(c(c1)C(C)C)N)C(C)C 271570a_100011290941_100010205856 [0,2,0,0,0,0|1,0,0]=3 391 B15R1.688 C=Cc1cc(c(c(c1)C(C)C)O)C(C)C 271570a_100011290941_200010782092 [0,2,0,0,0,0|0,0,0]=2 392 B15R1.688 CC(C)c1cc(cc(c1N)C(C)C)S[13CH3] 62a_100010205856_200025704644 [0,2,0,0,0,0|1,0,0]=3 393 B15R1.688 CC(C)c1cc(cc(c1N)C(C)C)S[13CH3] 62a_200025704644_100010205856 [0,2,0,0,0,0|1,0,0]=3 394 B15R1.688 CC(C)c1cc(cc(c1O)C(C)C)N[13CH3] 2230a_200000012011_200025704644 [0,2,0,0,0,0|0,0,0]=2 395 B15R1.688 CC(C)c1cc(cc(c1O)C(C)C)N[13CH3] 34a_200000012011_200025704644 [0,2,0,0,0,0|0,0,0]=2 396 B15R1.688 CC(C)c1cc(cc(c1O)C(C)C)N[13CH3] 7a_200000012011_200025704644 [0,2,0,0,0,0|0,0,0]=2 397 B15R1.688 CC(C)c1cc(cc(c1O)C(C)C)S[13CH3] 62a_200010782092_200025704644 [0,2,0,0,0,0|0,0,0]=2 398 B15R1.688 CC(C)c1cc(cc(c1O)C(C)C)S[13CH3] 62a_200025704644_200010782092 [0,2,0,0,0,0|0,0,0]=2 399 B15R1.688 CNc1cc(c(c(c1)C(C)C)O)C(C)C 2230a_200000012011_200000210301 [0,2,0,0,0,0|0,0,0]=2 400 B15R1.688 CNc1cc(c(c(c1)C(C)C)O)C(C)C 34a_200000012011_200000210301 [0,2,0,0,0,0|0,0,0]=2 401 B15R1.688 CNc1cc(c(c(c1)C(C)C)O)C(C)C 7a_200000012011_200000210301 [0,2,0,0,0,0|0,0,0]=2 402 B15R1.688 CSc1cc(c(c(c1)C(C)C)N)C(C)C 62a_100010205856_200000210301 [0,2,0,0,0,0|1,0,0]=3 403 B15R1.688 CSc1cc(c(c(c1)C(C)C)N)C(C)C 62a_200000210301_100010205856 [0,2,0,0,0,0|1,0,0]=3 404 B15R1.688 CSc1cc(c(c(c1)C(C)C)O)C(C)C 62a_200000210301_200010782092 [0,2,0,0,0,0|0,0,0]=2 405 B15R1.688 CSc1cc(c(c(c1)C(C)C)O)C(C)C 62a_200010782092_200000210301 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.585 CC(=Cc1ccc(cc1)C(C)C)C 271570a_100102525489_100000750031 [0,0,1,1,0,0|1,0,1]=4 407 B13R1.585 CC(=Cc1ccc(cn1)C(C)C)C 271570a_100102525489_200009815286 [0,0,1,1,0,0|1,0,1]=4 408 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000210206 [0,0,1,1,0,0|2,0,0]=4 409 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_100000210206 [0,0,1,1,0,0|2,0,0]=4 410 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 7a_100000210773_100000210206 [0,0,1,1,0,0|2,0,0]=4 411 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 34a_100000181308_100000210206 [0,0,1,1,0,0|2,0,0]=4 412 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 7a_100000181308_100000210206 [0,0,1,1,0,0|2,0,0]=4 413 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000210206_100000750031 [0,0,1,1,0,0|2,0,0]=4 414 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000750031_100000210206 [0,0,1,1,0,0|2,0,0]=4 415 B13R1.585 CC(C)Sc1ccc(cn1)C(C)C 62a_100000210206_200009815286 [0,0,1,1,0,0|2,0,0]=4 416 B13R1.585 CC(C)Sc1ccc(cn1)C(C)C 62a_200009815286_100000210206 [0,0,1,1,0,0|2,0,0]=4 417 B13R1.1985 CC(C)C=Cc1cn(cn1)C(C)C 271570a_100016257149_100010368367 [0,0,1,1,0,0|2,0,0]=4 418 B13R1.1985 CC(C)C=Cc1ncc(s1)C(C)C 271570a_100016257149_100000697854 [0,0,1,1,0,0|2,0,0]=4 419 B13R1.589 CC(=Cc1ccccc1C(C)C)C 271570a_100102525489_100011218076 [0,0,1,1,0,0|1,0,1]=4 420 B13R1.589 CC(=Cc1ncccc1C(C)C)C 271570a_100102525489_200010382935 [0,0,1,1,0,0|1,0,1]=4 421 B13R1.589 CC(C)Nc1ccccc1C(C)C 2230a_100000210643_100000210206 [0,0,1,1,0,0|2,0,0]=4 422 B13R1.589 CC(C)Nc1ccccc1C(C)C 34a_100000210643_100000210206 [0,0,1,1,0,0|2,0,0]=4 423 B13R1.589 CC(C)Nc1ccccc1C(C)C 7a_100000210643_100000210206 [0,0,1,1,0,0|2,0,0]=4 424 B13R1.589 CC(C)Oc1ccccc1C(C)C 34a_100000211617_100000210206 [0,0,1,1,0,0|2,0,0]=4 425 B13R1.589 CC(C)Oc1ccccc1C(C)C 7a_100000211617_100000210206 [0,0,1,1,0,0|2,0,0]=4 426 B13R1.589 CC(C)Sc1ccccc1C(C)C 62a_100000210206_100000708600 [0,0,1,1,0,0|2,0,0]=4 427 B13R1.589 CC(C)Sc1ccccc1C(C)C 62a_100000708600_100000210206 [0,0,1,1,0,0|2,0,0]=4 428 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_100000210206_200010382935 [0,0,1,1,0,0|2,0,0]=4 429 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_200010382935_100000210206 [0,0,1,1,0,0|2,0,0]=4 430 B13R2.429 C=C(C)c1cccc(c1)C2CC2 271570a_100000694244_100009816567 [1,0,0,1,0,0|0,0,2]=4 431 B13R2.429 C=C(C)c1cccc(c1)C2CC2 271570a_100011220607_100012123953 [1,0,0,1,0,0|0,0,2]=4 432 B13R2.429 CC(=O)c1cccc(c1)C2CC2 1458a_100011260452_200000210301 [1,0,0,1,0,0|1,0,1]=4 433 B13R2.429 CC(=O)c1cccc(c1)C2CC2 271570a_100011220607_100000210093 [1,0,0,1,0,0|1,0,1]=4 434 B13R2.429 CC(C)c1cc(ccn1)C2CC2 271570a_100011220607_100010237922 [1,0,0,1,0,0|1,0,0]=3 435 B13R2.429 CC(C)c1cccc(c1)C2CC2 271570a_100011220607_100011214899 [1,0,0,1,0,0|0,0,0]=2 436 B13R2.429 CC(C)c1cccc(n1)C2CC2 271570a_100011220607_100012318657 [1,0,0,1,0,0|1,0,0]=3 437 B13R2.429 CC(C)c1ccnc(c1)C2CC2 271570a_100011220607_100010237925 [1,0,0,1,0,0|1,0,0]=3 438 B13R2.429 CC(C)c1ccnc(n1)C2CC2 271570a_100011220607_100011935126 [1,0,0,1,0,0|2,0,0]=4 439 B13R2.429 CC(C)c1cncc(c1)C2CC2 271570a_100011220607_200010191214 [1,0,0,1,0,0|1,0,0]=3 440 B13R2.429 CC(C)c1cncc(n1)C2CC2 271570a_100011220607_100012056704 [1,0,0,1,0,0|2,0,0]=4 441 B13R2.429 CC(C)c1nccc(n1)C2CC2 271570a_100011220607_100000752938 [1,0,0,1,0,0|2,0,0]=4 442 B13R2.429 CC(N)c1cccc(c1)C2CC2 271570a_100011220607_100020642005 [1,0,0,1,0,0|1,0,0]=3 443 B13R2.429 CC(N)c1cccc(n1)C2CC2 271570a_100011220607_200010173468 [1,0,0,1,0,0|2,0,0]=4 444 B13R2.429 CC(O)c1cc(ccn1)C2CC2 271570a_100011220607_100000144657 [1,0,0,1,0,0|2,0,0]=4 445 B13R2.429 CC(O)c1cccc(c1)C2CC2 271570a_100011220607_100000246457 [1,0,0,1,0,0|1,0,0]=3 446 B13R2.429 CC(O)c1cccc(n1)C2CC2 271570a_100011220607_100009820884 [1,0,0,1,0,0|2,0,0]=4 447 B13R2.429 CC(O)c1cncc(c1)C2CC2 271570a_100011220607_100012351597 [1,0,0,1,0,0|2,0,0]=4 448 B13R2.429 CN(C)c1cc(ccn1)C2CC2 271570a_100011220607_100012361627 [1,0,0,1,0,0|2,0,0]=4 449 B13R2.429 CN(C)c1cccc(c1)C2CC2 2230a_200009885028_200000210301 [1,0,0,1,0,0|1,0,0]=3 450 B13R2.429 CN(C)c1cccc(c1)C2CC2 269982a_200009885028_200000210301 [1,0,0,1,0,0|1,0,0]=3 451 B13R2.429 CN(C)c1cccc(c1)C2CC2 271570a_100011220607_100011215952 [1,0,0,1,0,0|1,0,0]=3 452 B13R2.429 CN(C)c1cccc(c1)C2CC2 34a_200009885028_200000210301 [1,0,0,1,0,0|1,0,0]=3 453 B13R2.429 CN(C)c1cccc(c1)C2CC2 7a_200009885028_200000210301 [1,0,0,1,0,0|1,0,0]=3 454 B13R2.429 CN(C)c1cccc(n1)C2CC2 271570a_100011220607_100011960435 [1,0,0,1,0,0|2,0,0]=4 455 B13R2.429 CN(C)c1ccnc(c1)C2CC2 271570a_100011220607_100000766659 [1,0,0,1,0,0|2,0,0]=4 456 B13R2.429 CN(C)c1ccnc(c1)C2CC2 27a_100102631434_100009820009 [1,0,0,1,0,0|2,0,0]=4 457 B13R2.429 CN(C)c1cncc(c1)C2CC2 271570a_100011220607_100012350714 [1,0,0,1,0,0|2,0,0]=4 458 B13R2.429 CN([13CH3])c1cccc(c1)C2CC2 2230a_200009885028_200025704644 [1,0,0,1,0,0|1,0,0]=3 459 B13R2.429 CN([13CH3])c1cccc(c1)C2CC2 269982a_200009885028_200025704644 [1,0,0,1,0,0|1,0,0]=3 460 B13R2.429 CN([13CH3])c1cccc(c1)C2CC2 34a_200009885028_200025704644 [1,0,0,1,0,0|1,0,0]=3 461 B13R2.429 CN([13CH3])c1cccc(c1)C2CC2 7a_200009885028_200025704644 [1,0,0,1,0,0|1,0,0]=3 462 B13R2.429 CS(=O)c1cccc(c1)C2CC2 271570a_100011220607_100009816267 [1,0,0,1,0,0|2,0,0]=4 463 B13R2.429 C[C@@H](N)c1cncc(c1)C2CC2 271570a_100011220607_100012350620 [1,0,0,1,0,0|2,0,0]=4 464 B13R2.429 FC(F)c1cccc(c1)C2CC2 271570a_100011220607_100009892619 [1,0,0,1,0,0|2,0,0]=4 465 B13R2.429 [13CH3]C(=O)c1cccc(c1)C2CC2 1458a_100011260452_200025704644 [1,0,0,1,0,0|1,0,1]=4 466 B13R2.82 C=Cc1cccc(c1O)C2CC2 271570a_100011290941_100010664954 [1,0,0,1,0,0|0,0,2]=4 467 B13R2.82 CCc1cccc(c1O)C2CC2 271570a_100011220607_200010001580 [1,0,0,1,0,0|0,0,0]=2 468 B13R2.82 CNc1cccc(c1F)C2CC2 34a_102516457095_200000210301 [1,0,0,1,0,0|2,0,0]=4 469 B13R2.82 CNc1cccc(c1F)C2CC2 7a_102516457095_200000210301 [1,0,0,1,0,0|2,0,0]=4 470 B13R2.82 CNc1cccc(c1N)C2CC2 271570a_100011220607_100000695761 [1,0,0,1,0,0|2,0,0]=4 471 B13R2.82 COc1cccc(c1C)C2CC2 271570a_100011220607_100010002647 [1,0,0,1,0,0|2,0,0]=4 472 B13R2.82 COc1cccc(c1Cl)C2CC2 271570a_100011220607_100010147677 [1,0,0,1,0,0|2,0,0]=4 473 B13R2.82 COc1cccc(c1F)C2CC2 271570a_100011220607_100010185846 [1,0,0,1,0,0|2,0,0]=4 474 B13R2.82 COc1cccc(c1F)C2CC2 34a_100102445790_200000210301 [1,0,0,1,0,0|2,0,0]=4 475 B13R2.82 COc1cccc(c1F)C2CC2 7a_100102445790_200000210301 [1,0,0,1,0,0|2,0,0]=4 476 B13R2.82 COc1cccc(c1N)C2CC2 271570a_100011220607_100000708083 [1,0,0,1,0,0|2,0,0]=4 477 B13R2.82 COc1cccc(c1O)C2CC2 271570a_100011220607_100000686866 [1,0,0,1,0,0|1,0,0]=3 478 B13R2.82 CSc1cccc(c1O)C2CC2 62a_100010664954_200000210301 [1,0,0,1,0,0|1,0,0]=3 479 B13R2.82 CSc1cccc(c1O)C2CC2 62a_200000210301_100010664954 [1,0,0,1,0,0|1,0,0]=3 480 B13R2.82 Cc1c(cccc1C2CC2)CN 271570a_100011220607_100000724210 [1,0,0,1,0,0|2,0,0]=4 481 B13R2.82 Cc1c(cccc1C2CC2)CO 271570a_100011220607_100000694458 [1,0,0,1,0,0|2,0,0]=4 482 B13R2.82 N#Cc1cccc(c1O)C2CC2 271570a_100011220607_100009817103 [1,0,0,1,0,0|1,0,1]=4 483 B13R2.82 NCc1cccc(c1F)C2CC2 271570a_100011220607_100015189953 [1,0,0,1,0,0|2,0,0]=4 484 B13R2.82 Nc1c(cccc1C2CC2)CO 271570a_100011220607_100012349457 [1,0,0,1,0,0|2,0,0]=4 485 B13R2.82 O=Cc1cccc(c1O)C2CC2 271570a_100011220607_100000737635 [1,0,0,1,0,0|1,0,1]=4 486 B13R2.82 OCc1cccc(c1Br)C2CC2 271570a_100011220607_100010240205 [1,0,0,1,0,0|2,0,0]=4 487 B13R2.82 OCc1cccc(c1F)C2CC2 271570a_100011220607_100011935076 [1,0,0,1,0,0|2,0,0]=4 488 B13R2.82 [13CH3]Nc1cccc(c1F)C2CC2 34a_102516457095_200025704644 [1,0,0,1,0,0|2,0,0]=4 489 B13R2.82 [13CH3]Nc1cccc(c1F)C2CC2 7a_102516457095_200025704644 [1,0,0,1,0,0|2,0,0]=4 490 B13R2.82 [13CH3]Oc1cccc(c1F)C2CC2 34a_100102445790_200025704644 [1,0,0,1,0,0|2,0,0]=4 491 B13R2.82 [13CH3]Oc1cccc(c1F)C2CC2 7a_100102445790_200025704644 [1,0,0,1,0,0|2,0,0]=4 492 B13R2.82 [13CH3]Sc1cccc(c1O)C2CC2 62a_100010664954_200025704644 [1,0,0,1,0,0|1,0,0]=3 493 B13R2.82 [13CH3]Sc1cccc(c1O)C2CC2 62a_200025704644_100010664954 [1,0,0,1,0,0|1,0,0]=3 494 B13R2.573 CSc1cccc2c1OCC2N 62a_100025715106_200000210301 [1,0,0,1,0,0|2,0,0]=4 495 B13R2.573 CSc1cccc2c1OCC2N 62a_200000210301_100025715106 [1,0,0,1,0,0|2,0,0]=4 496 B13R2.573 [13CH3]Sc1cccc2c1OCC2N 62a_100025715106_200025704644 [1,0,0,1,0,0|2,0,0]=4 497 B13R2.573 [13CH3]Sc1cccc2c1OCC2N 62a_200025704644_100025715106 [1,0,0,1,0,0|2,0,0]=4 498 B13R2.5569 C=C(C)c1cccc2c1OCC2 271570a_100000694244_100009818991 [1,0,0,1,0,0|0,0,2]=4 499 B13R2.5569 CC(=O)c1cccc2c1OCC2 1458a_100011216994_200000210301 [1,0,0,1,0,0|1,0,1]=4 500 B13R2.5569 [13CH3]C(=O)c1cccc2c1OCC2 1458a_100011216994_200025704644 [1,0,0,1,0,0|1,0,1]=4 501 B15R2.8 CC(=Cc1cccc2c1OCC2N)C 271570a_100102525489_100025715106 [0,0,0,1,0,1|1,0,1]=4 502 B15R2.8 CC(C)Oc1cccc2c1CC[C@@H]2N 34a_100134616730_100000210206 [0,0,0,1,0,1|2,0,0]=4 503 B15R2.8 CC(C)Sc1cccc2c1CCC2N 62a_100000210206_100000751068 [0,0,0,1,0,1|2,0,0]=4 504 B15R2.8 CC(C)Sc1cccc2c1CCC2N 62a_100000751068_100000210206 [0,0,0,1,0,1|2,0,0]=4 505 B15R2.8 CC(C)Sc1cccc2c1CC[C@@H]2O 62a_100000210206_100010080924 [0,0,0,1,0,1|2,0,0]=4 506 B15R2.8 CC(C)Sc1cccc2c1CC[C@@H]2O 62a_100010080924_100000210206 [0,0,0,1,0,1|2,0,0]=4 507 B15R2.8 CC(C)Sc1cccc2c1OCC2=O 62a_100000210206_100011230590 [0,0,0,1,0,1|1,0,1]=4 508 B15R2.8 CC(C)Sc1cccc2c1OCC2N 62a_100000210206_100025715106 [0,0,0,1,0,1|1,0,0]=3 509 B15R2.8 CC(C)Sc1cccc2c1OCC2N 62a_100025715106_100000210206 [0,0,0,1,0,1|1,0,0]=3 510 B15R2.43318 CC(C)c1cccc(c1F)NC2CC2 34a_100021981578_100000211595 [0,0,0,1,0,1|1,0,0]=3 511 B15R2.43318 CC(C)c1cccc(c1N)SC2CC2 62a_100010571509_100000211595 [0,0,0,1,0,1|1,0,0]=3 512 B15R2.43318 CC(O)c1cccc(c1F)SC2CC2 62a_200012356376_100000211595 [0,0,0,1,0,1|2,0,0]=4 513 B15R2.45371 CC(=Cc1cccc(c1O)C2CC2)C 271570a_100102525489_100010664954 [0,0,0,1,0,1|0,0,1]=3 514 B15R2.45371 CC(C)Nc1cccc(c1F)C2CC2 34a_102516457095_100000210206 [0,0,0,1,0,1|1,0,0]=3 515 B15R2.45371 CC(C)Nc1cccc(c1F)C2CC2 7a_102516457095_100000210206 [0,0,0,1,0,1|1,0,0]=3 516 B15R2.45371 CC(C)Oc1cccc(c1F)C2CC2 34a_100102445790_100000210206 [0,0,0,1,0,1|1,0,0]=3 517 B15R2.45371 CC(C)Oc1cccc(c1F)C2CC2 7a_100102445790_100000210206 [0,0,0,1,0,1|1,0,0]=3 518 B15R2.45371 CC(C)Sc1cccc(c1O)C2CC2 62a_100000210206_100010664954 [0,0,0,1,0,1|0,0,0]=2 519 B15R2.45371 CC(C)Sc1cccc(c1O)C2CC2 62a_100010664954_100000210206 [0,0,0,1,0,1|0,0,0]=2 520 B15R2.69023 C=C(C)c1cccc2c1OC(C2)(C)C 271570a_100000694244_100000741280 [0,0,0,1,0,1|0,0,2]=4 521 B15R2.5723 CN(C)c1cccc(c1C=O)C2CC2 271570a_100011220607_100010365569 [0,1,0,1,0,0|1,0,1]=4 522 B15R2.5723 COc1c(cccc1C2CC2)C(=O)C 271570a_100011220607_100010725610 [0,1,0,1,0,0|1,0,1]=4 523 B15R2.1584 COC(=O)c1cccc(c1O)C2CC2 271570a_100011220607_100009816214 [0,1,0,1,0,0|1,0,1]=4 524 B15R2.1584 COC(C)c1cccc(c1F)C2CC2 271570a_100011220607_200010365929 [0,1,0,1,0,0|1,0,0]=3 525 B15R2.27653 CC(=O)c1cc(cc(c1O)C2CC2)C 271570a_100011220607_100011659362 [0,1,0,1,0,0|1,0,1]=4 526 B15R2.27653 CC(C)c1cc(cc(c1N)C2CC2)F 271570a_100011220607_202125602415 [0,1,0,1,0,0|1,0,0]=3 527 B15R2.27653 Cc1cc(c(c(n1)C2CC2)C)C(C)C 271570a_100011220607_202495333933 [0,1,0,1,0,0|2,0,0]=4 528 B15R2.45372 CC(C)(C)c1cccc(c1O)C2CC2 271570a_100011220607_100010083445 [0,1,0,1,0,0|0,0,0]=2 529 B15R2.45372 Oc1c(cccc1C(F)(F)F)C2CC2 271570a_100011220607_100009888968 [0,1,0,1,0,0|2,0,0]=4 530 B15R3.2 NC1CCc2c1cccc2C3CC3 271570a_100011220607_100000751068 [0,0,0,2,0,0|2,0,0]=4 531 B15R3.2 NC1COc2c1cccc2C3CC3 271570a_100011220607_100025715106 [0,0,0,2,0,0|1,0,0]=3 532 B15R3.2 O=C1COc2c1cccc2C3CC3 271570a_100011220607_100011230590 [0,0,0,2,0,0|1,0,1]=4 533 B15R3.2 O[C@H]1CCc2c1cccc2C3CC3 271570a_100011220607_100010080924 [0,0,0,2,0,0|2,0,0]=4 534 B15R3.55990 Oc1c(cccc1C2CC2)C3CC3 271570a_100011220607_100010664954 [0,0,0,2,0,0|0,0,0]=2 535 B13R1.587 C=C(C)c1cccc(c1)CC(C)C 271570a_100000694244_100010883412 [1,0,0,0,0,1|0,0,2]=4 536 B13R1.587 C=C(C)c1cccc(c1)NC(C)C 271570a_100000694244_100000219649 [1,0,0,0,0,1|0,0,2]=4 537 B13R1.587 C=C(C)c1cccc(c1)OC(C)C 271570a_100000694244_100000170003 [1,0,0,0,0,1|0,0,2]=4 538 B13R1.587 C=C(C)c1cccc(c1)SC(C)C 271570a_100000694244_100009815759 [1,0,0,0,0,1|0,0,2]=4 539 B13R1.587 C=C(C)c1cccc(c1)SC(C)C 62a_100000210206_100012123953 [1,0,0,0,0,1|0,0,2]=4 540 B13R1.587 C=C(C)c1cccc(c1)SC(C)C 62a_100012123953_100000210206 [1,0,0,0,0,1|0,0,2]=4 541 B13R1.587 CC(=Cc1cc(ccn1)C(C)C)C 271570a_100102525489_100010237925 [1,0,0,0,0,1|1,0,1]=4 542 B13R1.587 CC(=Cc1cccc(c1)C(C)C)C 271570a_100102525489_100011214899 [1,0,0,0,0,1|0,0,1]=3 543 B13R1.587 CC(=Cc1cccc(c1)C(C)N)C 271570a_100102525489_100020642005 [1,0,0,0,0,1|1,0,1]=4 544 B13R1.587 CC(=Cc1cccc(c1)C(C)O)C 271570a_100102525489_100000246457 [1,0,0,0,0,1|1,0,1]=4 545 B13R1.587 CC(=Cc1cccc(c1)N(C)C)C 271570a_100102525489_100011215952 [1,0,0,0,0,1|1,0,1]=4 546 B13R1.587 CC(=Cc1cccc(n1)C(C)C)C 271570a_100102525489_100012318657 [1,0,0,0,0,1|1,0,1]=4 547 B13R1.587 CC(=Cc1ccnc(c1)C(C)C)C 271570a_100102525489_100010237922 [1,0,0,0,0,1|1,0,1]=4 548 B13R1.587 CC(=Cc1cncc(c1)C(C)C)C 271570a_100102525489_200010191214 [1,0,0,0,0,1|1,0,1]=4 549 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 11a_100000211879_100015343762 [1,0,0,0,0,1|1,0,1]=4 550 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 1626a_100000211879_100015343762 [1,0,0,0,0,1|1,0,1]=4 551 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 22a_100000211879_100000070787 [1,0,0,0,0,1|1,0,1]=4 552 B13R1.587 CC(=O)Nc1cccc(c1)C(C)C 527a_100000211879_100103153847 [1,0,0,0,0,1|1,0,1]=4 553 B13R1.587 CC(=O)c1cccc(c1)OC(C)C 1458a_100000186504_200000210301 [1,0,0,0,0,1|1,0,1]=4 554 B13R1.587 CC(=O)c1cccc(c1)OC(C)C 34a_100000211620_100000210206 [1,0,0,0,0,1|1,0,1]=4 555 B13R1.587 CC(=O)c1cccc(c1)OC(C)C 7a_100000211620_100000210206 [1,0,0,0,0,1|1,0,1]=4 556 B13R1.587 CC(=O)c1cccc(c1)SC(C)C 62a_100000210093_100000210206 [1,0,0,0,0,1|1,0,1]=4 557 B13R1.587 CC(=O)c1cccc(c1)SC(C)C 62a_100000210206_100000210093 [1,0,0,0,0,1|1,0,1]=4 558 B13R1.587 CC(C)Nc1cc(ccn1)C(C)C 27a_100138425928_100010237925 [1,0,0,0,0,1|1,0,0]=3 559 B13R1.587 CC(C)Nc1cc(ccn1)N(C)C 27a_100102631434_200012354261 [1,0,0,0,0,1|2,0,0]=4 560 B13R1.587 CC(C)Nc1cccc(c1)C(C)C 2230a_100000211879_100000210206 [1,0,0,0,0,1|0,0,0]=2 561 B13R1.587 CC(C)Nc1cccc(c1)C(C)C 34a_100000211879_100000210206 [1,0,0,0,0,1|0,0,0]=2 562 B13R1.587 CC(C)Nc1cccc(c1)C(C)C 7a_100000211879_100000210206 [1,0,0,0,0,1|0,0,0]=2 563 B13R1.587 CC(C)Nc1cccc(c1)C(C)O 2230a_100011217120_100000210206 [1,0,0,0,0,1|1,0,0]=3 564 B13R1.587 CC(C)Nc1cccc(c1)C(C)O 34a_100011217120_100000210206 [1,0,0,0,0,1|1,0,0]=3 565 B13R1.587 CC(C)Nc1cccc(c1)C(F)F 2230a_100000058342_100000210206 [1,0,0,0,0,1|2,0,0]=4 566 B13R1.587 CC(C)Nc1cccc(c1)C(F)F 34a_100000058342_100000210206 [1,0,0,0,0,1|2,0,0]=4 567 B13R1.587 CC(C)Nc1cccc(c1)C(F)F 7a_100000058342_100000210206 [1,0,0,0,0,1|2,0,0]=4 568 B13R1.587 CC(C)Nc1cccc(c1)N(C)C 34a_100000209982_100000210206 [1,0,0,0,0,1|1,0,0]=3 569 B13R1.587 CC(C)Nc1cccc(n1)C(C)C 27a_100138425928_100012318657 [1,0,0,0,0,1|1,0,0]=3 570 B13R1.587 CC(C)Nc1cccc(n1)C(C)O 27a_100138425928_100009820884 [1,0,0,0,0,1|2,0,0]=4 571 B13R1.587 CC(C)Nc1ccnc(c1)C(C)C 27a_100138425928_100010237922 [1,0,0,0,0,1|1,0,0]=3 572 B13R1.587 CC(C)Nc1ccnc(c1)C(C)O 27a_100138425928_100000144657 [1,0,0,0,0,1|2,0,0]=4 573 B13R1.587 CC(C)Nc1ccnc(n1)C(C)C 27a_100138425928_100000752938 [1,0,0,0,0,1|2,0,0]=4 574 B13R1.587 CC(C)Nc1cncc(n1)C(C)C 27a_100138425928_100012056704 [1,0,0,0,0,1|2,0,0]=4 575 B13R1.587 CC(C)Nc1nccc(n1)C(C)C 27a_100138425928_100011935126 [1,0,0,0,0,1|2,0,0]=4 576 B13R1.587 CC(C)Oc1cc(ccn1)N(C)C 27a_100102631434_100010247003 [1,0,0,0,0,1|2,0,0]=4 577 B13R1.587 CC(C)Oc1cccc(c1)C(=O)[13CH3] 1458a_100000186504_200025704644 [1,0,0,0,0,1|1,0,1]=4 578 B13R1.587 CC(C)Oc1cccc(c1)C(C)C 34a_100000211816_100000210206 [1,0,0,0,0,1|0,0,0]=2 579 B13R1.587 CC(C)Oc1cccc(c1)C(C)C 7a_100000211816_100000210206 [1,0,0,0,0,1|0,0,0]=2 580 B13R1.587 CC(C)Oc1cccc(c1)C(C)N 34a_100000740644_100000210206 [1,0,0,0,0,1|1,0,0]=3 581 B13R1.587 CC(C)Oc1cccc(c1)C(C)N 7a_100000740644_100000210206 [1,0,0,0,0,1|1,0,0]=3 582 B13R1.587 CC(C)Oc1cccc(c1)C(C)O 34a_100000748013_100000210206 [1,0,0,0,0,1|1,0,0]=3 583 B13R1.587 CC(C)Oc1cccc(c1)C(C)O 7a_100000748013_100000210206 [1,0,0,0,0,1|1,0,0]=3 584 B13R1.587 CC(C)Oc1cccc(c1)N(C)C 34a_100000738785_100000210206 [1,0,0,0,0,1|1,0,0]=3 585 B13R1.587 CC(C)Oc1cccc(n1)N(C)C 27a_100102631434_100000703025 [1,0,0,0,0,1|2,0,0]=4 586 B13R1.587 CC(C)Sc1cc(ccn1)C(C)C 62a_100000210206_100010237925 [1,0,0,0,0,1|1,0,0]=3 587 B13R1.587 CC(C)Sc1cc(ccn1)C(C)C 62a_100010237925_100000210206 [1,0,0,0,0,1|1,0,0]=3 588 B13R1.587 CC(C)Sc1cc(ccn1)N(C)C 62a_100000210206_100000766659 [1,0,0,0,0,1|2,0,0]=4 589 B13R1.587 CC(C)Sc1cc(ccn1)N(C)C 62a_100000766659_100000210206 [1,0,0,0,0,1|2,0,0]=4 590 B13R1.587 CC(C)Sc1cccc(c1)C(C)C 62a_100000210206_100011214899 [1,0,0,0,0,1|0,0,0]=2 591 B13R1.587 CC(C)Sc1cccc(c1)C(C)C 62a_100011214899_100000210206 [1,0,0,0,0,1|0,0,0]=2 592 B13R1.587 CC(C)Sc1cccc(c1)C(C)N 62a_100000210206_100020642005 [1,0,0,0,0,1|1,0,0]=3 593 B13R1.587 CC(C)Sc1cccc(c1)C(C)N 62a_100020642005_100000210206 [1,0,0,0,0,1|1,0,0]=3 594 B13R1.587 CC(C)Sc1cccc(c1)C(C)O 62a_100000210206_100000246457 [1,0,0,0,0,1|1,0,0]=3 595 B13R1.587 CC(C)Sc1cccc(c1)C(C)O 62a_100000246457_100000210206 [1,0,0,0,0,1|1,0,0]=3 596 B13R1.587 CC(C)Sc1cccc(c1)C(F)F 62a_100000210206_100009892619 [1,0,0,0,0,1|2,0,0]=4 597 B13R1.587 CC(C)Sc1cccc(c1)C(F)F 62a_100009892619_100000210206 [1,0,0,0,0,1|2,0,0]=4 598 B13R1.587 CC(C)Sc1cccc(c1)N(C)C 62a_100000210206_100011215952 [1,0,0,0,0,1|1,0,0]=3 599 B13R1.587 CC(C)Sc1cccc(c1)N(C)C 62a_100011215952_100000210206 [1,0,0,0,0,1|1,0,0]=3 600 B13R1.587 CC(C)Sc1cccc(c1)S(=O)C 62a_100000210206_100009816267 [1,0,0,0,0,1|2,0,0]=4 601 B13R1.587 CC(C)Sc1cccc(c1)S(=O)C 62a_100009816267_100000210206 [1,0,0,0,0,1|2,0,0]=4 602 B13R1.587 CC(C)Sc1cccc(n1)C(C)C 62a_100000210206_100012318657 [1,0,0,0,0,1|1,0,0]=3 603 B13R1.587 CC(C)Sc1cccc(n1)C(C)C 62a_100012318657_100000210206 [1,0,0,0,0,1|1,0,0]=3 604 B13R1.587 CC(C)Sc1cccc(n1)C(C)N 62a_100000210206_200010173468 [1,0,0,0,0,1|2,0,0]=4 605 B13R1.587 CC(C)Sc1cccc(n1)C(C)N 62a_200010173468_100000210206 [1,0,0,0,0,1|2,0,0]=4 606 B13R1.587 CC(C)Sc1cccc(n1)C(C)O 62a_100000210206_100009820884 [1,0,0,0,0,1|2,0,0]=4 607 B13R1.587 CC(C)Sc1cccc(n1)C(C)O 62a_100009820884_100000210206 [1,0,0,0,0,1|2,0,0]=4 608 B13R1.587 CC(C)Sc1cccc(n1)N(C)C 62a_100000210206_100011960435 [1,0,0,0,0,1|2,0,0]=4 609 B13R1.587 CC(C)Sc1cccc(n1)N(C)C 62a_100011960435_100000210206 [1,0,0,0,0,1|2,0,0]=4 610 B13R1.587 CC(C)Sc1ccnc(c1)C(C)C 62a_100000210206_100010237922 [1,0,0,0,0,1|1,0,0]=3 611 B13R1.587 CC(C)Sc1ccnc(c1)C(C)C 62a_100010237922_100000210206 [1,0,0,0,0,1|1,0,0]=3 612 B13R1.587 CC(C)Sc1ccnc(c1)C(C)O 62a_100000144657_100000210206 [1,0,0,0,0,1|2,0,0]=4 613 B13R1.587 CC(C)Sc1ccnc(c1)C(C)O 62a_100000210206_100000144657 [1,0,0,0,0,1|2,0,0]=4 614 B13R1.587 CC(C)Sc1ccnc(c1)N(C)C 62a_100000210206_100012361627 [1,0,0,0,0,1|2,0,0]=4 615 B13R1.587 CC(C)Sc1ccnc(c1)N(C)C 62a_100012361627_100000210206 [1,0,0,0,0,1|2,0,0]=4 616 B13R1.587 CC(C)Sc1ccnc(n1)C(C)C 62a_100000210206_100000752938 [1,0,0,0,0,1|2,0,0]=4 617 B13R1.587 CC(C)Sc1ccnc(n1)C(C)C 62a_100000752938_100000210206 [1,0,0,0,0,1|2,0,0]=4 618 B13R1.587 CC(C)Sc1cncc(c1)C(C)C 62a_100000210206_200010191214 [1,0,0,0,0,1|1,0,0]=3 619 B13R1.587 CC(C)Sc1cncc(c1)C(C)C 62a_200010191214_100000210206 [1,0,0,0,0,1|1,0,0]=3 620 B13R1.587 CC(C)Sc1cncc(c1)C(C)O 62a_100000210206_100012351597 [1,0,0,0,0,1|2,0,0]=4 621 B13R1.587 CC(C)Sc1cncc(c1)C(C)O 62a_100012351597_100000210206 [1,0,0,0,0,1|2,0,0]=4 622 B13R1.587 CC(C)Sc1cncc(c1)N(C)C 62a_100000210206_100012350714 [1,0,0,0,0,1|2,0,0]=4 623 B13R1.587 CC(C)Sc1cncc(c1)N(C)C 62a_100012350714_100000210206 [1,0,0,0,0,1|2,0,0]=4 624 B13R1.587 CC(C)Sc1cncc(c1)[C@@H](C)N 62a_100000210206_100012350620 [1,0,0,0,0,1|2,0,0]=4 625 B13R1.587 CC(C)Sc1cncc(c1)[C@@H](C)N 62a_100012350620_100000210206 [1,0,0,0,0,1|2,0,0]=4 626 B13R1.587 CC(C)Sc1cncc(n1)C(C)C 62a_100000210206_100012056704 [1,0,0,0,0,1|2,0,0]=4 627 B13R1.587 CC(C)Sc1cncc(n1)C(C)C 62a_100012056704_100000210206 [1,0,0,0,0,1|2,0,0]=4 628 B13R1.587 CC(C)Sc1nccc(n1)C(C)C 62a_100000210206_100011935126 [1,0,0,0,0,1|2,0,0]=4 629 B13R1.587 CC(C)Sc1nccc(n1)C(C)C 62a_100011935126_100000210206 [1,0,0,0,0,1|2,0,0]=4 630 B13R1.587 CC(C)c1cccc(c1)CN(C)C 270004a_100102631434_100011935327 [1,0,0,0,0,1|1,0,0]=3 631 B13R1.587 CN(C)Cc1cccc(c1)N(C)C 270004a_100102631434_100011794417 [1,0,0,0,0,1|2,0,0]=4 632 B13R1.641 CC(C)Nc1cccc(c1F)CO 34a_100012023829_100000210206 [1,0,0,0,0,1|2,0,0]=4 633 B13R1.641 CC(C)Oc1cccc(c1F)CN 34a_100025773512_100000210206 [1,0,0,0,0,1|2,0,0]=4 634 B13R1.641 CC(C)Sc1cccc(c1Br)CO 62a_100000210206_100010240205 [1,0,0,0,0,1|2,0,0]=4 635 B13R1.641 CC(C)Sc1cccc(c1Br)CO 62a_100010240205_100000210206 [1,0,0,0,0,1|2,0,0]=4 636 B13R1.641 CC(C)Sc1cccc(c1F)CN 62a_100000210206_100015189953 [1,0,0,0,0,1|2,0,0]=4 637 B13R1.641 CC(C)Sc1cccc(c1F)CN 62a_100015189953_100000210206 [1,0,0,0,0,1|2,0,0]=4 638 B13R1.641 CC(C)Sc1cccc(c1F)CO 62a_100000210206_100011935076 [1,0,0,0,0,1|2,0,0]=4 639 B13R1.641 CC(C)Sc1cccc(c1F)CO 62a_100011935076_100000210206 [1,0,0,0,0,1|2,0,0]=4 640 B13R1.641 CC(C)Sc1cccc(c1N)CO 62a_100000210206_100012349457 [1,0,0,0,0,1|2,0,0]=4 641 B13R1.641 CC(C)Sc1cccc(c1N)CO 62a_100012349457_100000210206 [1,0,0,0,0,1|2,0,0]=4 642 B13R1.641 CC(C)Sc1cccc(c1O)C#N 62a_100000210206_100009817103 [1,0,0,0,0,1|1,0,1]=4 643 B13R1.641 CC(C)Sc1cccc(c1O)C=O 62a_100000210206_100010171435 [1,0,0,0,0,1|1,0,1]=4 644 B13R1.641 CCc1cccc(c1O)C=C(C)C 271570a_100102525489_200010001580 [1,0,0,0,0,1|0,0,1]=3 645 B13R1.641 CCc1cccc(c1O)SC(C)C 62a_100000210206_200010001580 [1,0,0,0,0,1|0,0,0]=2 646 B13R1.641 CCc1cccc(c1O)SC(C)C 62a_200010001580_100000210206 [1,0,0,0,0,1|0,0,0]=2 647 B13R1.641 CNc1cccc(c1N)SC(C)C 62a_100000695761_100000210206 [1,0,0,0,0,1|2,0,0]=4 648 B13R1.641 COc1cccc(c1Br)NC(C)C 34a_100000703447_100000210206 [1,0,0,0,0,1|2,0,0]=4 649 B13R1.641 COc1cccc(c1Br)OC(C)C 34a_100010202623_100000210206 [1,0,0,0,0,1|2,0,0]=4 650 B13R1.641 COc1cccc(c1Br)OC(C)C 7a_100010202623_100000210206 [1,0,0,0,0,1|2,0,0]=4 651 B13R1.641 COc1cccc(c1Br)SC(C)C 62a_100000210206_100010146559 [1,0,0,0,0,1|2,0,0]=4 652 B13R1.641 COc1cccc(c1Br)SC(C)C 62a_100010146559_100000210206 [1,0,0,0,0,1|2,0,0]=4 653 B13R1.641 COc1cccc(c1C)NC(C)C 34a_100011244893_100000210206 [1,0,0,0,0,1|2,0,0]=4 654 B13R1.641 COc1cccc(c1C)NC(C)C 7a_100011244893_100000210206 [1,0,0,0,0,1|2,0,0]=4 655 B13R1.641 COc1cccc(c1C)SC(C)C 62a_100000210206_100010002647 [1,0,0,0,0,1|2,0,0]=4 656 B13R1.641 COc1cccc(c1C)SC(C)C 62a_100010002647_100000210206 [1,0,0,0,0,1|2,0,0]=4 657 B13R1.641 COc1cccc(c1Cl)NC(C)C 34a_100000089720_100000210206 [1,0,0,0,0,1|2,0,0]=4 658 B13R1.641 COc1cccc(c1Cl)OC(C)C 34a_100000087810_100000210206 [1,0,0,0,0,1|2,0,0]=4 659 B13R1.641 COc1cccc(c1Cl)OC(C)C 7a_100000087810_100000210206 [1,0,0,0,0,1|2,0,0]=4 660 B13R1.641 COc1cccc(c1Cl)SC(C)C 62a_100000210206_100010147677 [1,0,0,0,0,1|2,0,0]=4 661 B13R1.641 COc1cccc(c1Cl)SC(C)C 62a_100010147677_100000210206 [1,0,0,0,0,1|2,0,0]=4 662 B13R1.641 COc1cccc(c1F)NC(C)C 34a_100000100910_100000210206 [1,0,0,0,0,1|2,0,0]=4 663 B13R1.641 COc1cccc(c1F)OC(C)C 34a_100000102366_100000210206 [1,0,0,0,0,1|2,0,0]=4 664 B13R1.641 COc1cccc(c1F)OC(C)C 7a_100000102366_100000210206 [1,0,0,0,0,1|2,0,0]=4 665 B13R1.641 COc1cccc(c1F)SC(C)C 62a_100000210206_100010185846 [1,0,0,0,0,1|2,0,0]=4 666 B13R1.641 COc1cccc(c1F)SC(C)C 62a_100010185846_100000210206 [1,0,0,0,0,1|2,0,0]=4 667 B13R1.641 COc1cccc(c1I)NC(C)C 34a_100010245509_100000210206 [1,0,0,0,0,1|2,0,0]=4 668 B13R1.641 COc1cccc(c1I)OC(C)C 34a_200010201982_100000210206 [1,0,0,0,0,1|2,0,0]=4 669 B13R1.641 COc1cccc(c1I)OC(C)C 7a_200010201982_100000210206 [1,0,0,0,0,1|2,0,0]=4 670 B13R1.641 COc1cccc(c1N)OC(C)C 34a_100012022766_100000210206 [1,0,0,0,0,1|2,0,0]=4 671 B13R1.641 COc1cccc(c1N)OC(C)C 7a_100012022766_100000210206 [1,0,0,0,0,1|2,0,0]=4 672 B13R1.641 COc1cccc(c1N)SC(C)C 62a_100000708083_100000210206 [1,0,0,0,0,1|2,0,0]=4 673 B13R1.641 COc1cccc(c1O)C=C(C)C 271570a_100102525489_100000686866 [1,0,0,0,0,1|1,0,1]=4 674 B13R1.641 COc1cccc(c1O)NC(C)C 34a_100000123586_100000210206 [1,0,0,0,0,1|1,0,0]=3 675 B13R1.641 COc1cccc(c1O)SC(C)C 62a_100000210206_100000686866 [1,0,0,0,0,1|1,0,0]=3 676 B13R1.641 Cc1c(cccc1NC(C)C)CO 2230a_102495339961_100000210206 [1,0,0,0,0,1|2,0,0]=4 677 B13R1.641 Cc1c(cccc1NC(C)C)CO 34a_102495339961_100000210206 [1,0,0,0,0,1|2,0,0]=4 678 B13R1.641 Cc1c(cccc1OC(C)C)CO 34a_200000084602_100000210206 [1,0,0,0,0,1|2,0,0]=4 679 B13R1.641 Cc1c(cccc1OC(C)C)CO 7a_200000084602_100000210206 [1,0,0,0,0,1|2,0,0]=4 680 B13R1.641 Cc1c(cccc1SC(C)C)CN 62a_100000210206_100000724210 [1,0,0,0,0,1|2,0,0]=4 681 B13R1.641 Cc1c(cccc1SC(C)C)CN 62a_100000724210_100000210206 [1,0,0,0,0,1|2,0,0]=4 682 B13R1.641 Cc1c(cccc1SC(C)C)CO 62a_100000210206_100000694458 [1,0,0,0,0,1|2,0,0]=4 683 B13R1.641 Cc1c(cccc1SC(C)C)CO 62a_100000694458_100000210206 [1,0,0,0,0,1|2,0,0]=4 684 B15R1.25694 CC(=O)c1cccc(c1O)C=CC(C)C 271570a_100016257149_100009815558 [0,0,0,0,0,2|1,0,1]=4 685 B15R1.25694 CC(C)C=Cc1cccc(c1F)C(C)O 271570a_100016257149_200012356376 [0,0,0,0,0,2|2,0,0]=4 686 B15R1.25694 CC(C)C=Cc1cccc(c1N)C(C)C 271570a_100016257149_100010571509 [0,0,0,0,0,2|1,0,0]=3 687 B15R1.25694 CC(C)CNc1cccc(c1F)C(C)C 34a_100021981578_100000210624 [0,0,0,0,0,2|1,0,0]=3 688 B15R1.25694 CC(C)CNc1cccc(c1F)C(C)C 7a_100021981578_100000210760 [0,0,0,0,0,2|1,0,0]=3 689 B15R1.25694 CC(C)CSc1cccc(c1F)C(C)O 62a_100000210624_200012356376 [0,0,0,0,0,2|2,0,0]=4 690 B15R1.25694 CC(C)CSc1cccc(c1F)C(C)O 62a_200012356376_100000210760 [0,0,0,0,0,2|2,0,0]=4 691 B15R1.25694 CC(C)CSc1cccc(c1N)C(C)C 62a_100000210624_100010571509 [0,0,0,0,0,2|1,0,0]=3 692 B15R1.25694 CC(C)CSc1cccc(c1N)C(C)C 62a_100010571509_100000210760 [0,0,0,0,0,2|1,0,0]=3 693 B15R1.25694 CC(C)c1cccc(c1F)NC[C@@H](C)O 34a_100021981578_100009817552 [0,0,0,0,0,2|2,0,0]=4 694 B15R1.25694 CC(C)c1cccc(c1F)NC[C@@H](C)O 7a_100021981578_100009817552 [0,0,0,0,0,2|2,0,0]=4 695 B15R1.25694 CC(C)c1cccc(c1N)SC[C@@H](C)O 62a_100009817552_100010571509 [0,0,0,0,0,2|2,0,0]=4 696 B15R1.25694 CC(C)c1cccc(c1N)SC[C@@H](C)O 62a_100010571509_100009817552 [0,0,0,0,0,2|2,0,0]=4 697 B15R1.25694 CC(O)C=Cc1cccc(c1N)C(C)C 271570a_200011019289_100010571509 [0,0,0,0,0,2|2,0,0]=4 698 B15R1.25694 CC(O)CNc1cccc(c1F)C(C)C 34a_100021981578_100011218427 [0,0,0,0,0,2|2,0,0]=4 699 B15R1.25694 CC(O)CNc1cccc(c1F)C(C)C 7a_100021981578_100011218427 [0,0,0,0,0,2|2,0,0]=4 700 B15R1.25694 CC(O)CSc1cccc(c1N)C(C)C 62a_100010571509_100011218427 [0,0,0,0,0,2|2,0,0]=4 701 B15R1.25694 CC(O)CSc1cccc(c1N)C(C)C 62a_100011218427_100010571509 [0,0,0,0,0,2|2,0,0]=4