0 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,0,0,0,0,0|1,1,0]=2 16 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,0,0,0,0,0|1,1,0]=2 17 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,0,0,0,0,0|1,1,0]=2 18 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,0,0,0,0,0|1,1,0]=2 19 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,0,0,0,0,0|1,1,0]=2 20 B11R1.3 C=C(C)c1ccc(cn1)C#N 271570a_100000694244_100000241038 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 C=C(C)c1ccc(cn1)NN 271570a_100000694244_100000119030 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,0,0,0,0,0|2,1,0]=3 29 B11R1.3 C=C(C)c1ccc(nc1)C#N 271570a_100000694244_100000760455 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.3 C=C(C)c1ccc(nc1)NN 271570a_100000694244_100000750576 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [0,0,0,0,0,0|2,1,0]=3 38 B11R1.3 C=C(C)c1ccc(nn1)NC 271570a_100000694244_100000215272 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.3 C=C(C)c1ccc(nn1)OC 271570a_100000694244_100009819040 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.3 C=C(C)c1cnc(cn1)NC 271570a_100000694244_100012000640 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.3 C=C(C)c1cnc(cn1)SC 271570a_100000694244_200012356277 [0,0,0,0,0,0|3,1,0]=4 43 B11R1.3 C=C(C)c1cnc(nc1)NC 271570a_100000694244_100000697329 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.3 C=C(C)c1cnc(nc1)OC 271570a_100000694244_100000686852 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.3 C=C(C)c1cnc(nc1)SC 271570a_100000694244_100000722549 [0,0,0,0,0,0|3,1,0]=4 46 B11R1.3 C=C(C)c1ncc(cn1)CC 271570a_100000694244_100000033099 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.3 C=C(C)c1ncc(cn1)OC 271570a_100000694244_100000069167 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.3 C=C(C)c1ncc(cn1)SC 271570a_100000694244_100000718988 [0,0,0,0,0,0|3,1,0]=4 49 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,0,0,0,0,0|2,0,1]=3 50 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,0,0,0,0,0|1,0,1]=2 51 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,0,0,0,0,0|1,0,1]=2 52 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,0,0,0,0,0|1,0,1]=2 54 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,0,0,0,0,0|1,0,3]=4 56 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,0,0,0,0,0|2,0,1]=3 63 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.3 C=Cc1cnc(cn1)C(=O)C 271570a_100011290941_100009883172 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.3 C=Cc1cnc(nc1)C(=O)C 271570a_100011290941_100010077182 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.3 C=Cc1ncc(cn1)C(=O)C 271570a_100011290941_100000099681 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,0,0|0,0,0]=0 70 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,0,0|0,0,0]=0 71 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,0,0|0,1,0]=1 72 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,0,0|0,1,0]=1 73 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,0,0,0,0,0|1,0,0]=1 74 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,0,0,0,0,0|1,0,0]=1 75 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,0,0,0,0,0|1,1,0]=2 76 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,0,0,0,0,0|1,1,0]=2 77 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,0,0,0,0,0|1,1,0]=2 78 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,0,0,0,0,0|1,1,0]=2 79 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,0,0,0,0,0|2,1,0]=3 80 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,0,0,0,0,0|2,1,0]=3 81 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,0,0,0,0,0|2,1,0]=3 82 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,0,0,0,0,0|2,1,0]=3 83 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,0,0,0,0,0|2,1,0]=3 84 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,0,0,0,0,0|2,1,0]=3 85 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,0,0,0,0,0|2,0,1]=3 86 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,0,0,0,0,0|2,0,1]=3 87 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,0,0,0,0,0|2,0,1]=3 88 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,0,0,0,0,0|1,0,1]=2 89 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,0,0,0,0,0|1,0,1]=2 90 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,0,0,0,0,0|1,1,1]=3 91 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,0,0,0,0,0|1,1,1]=3 92 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [0,0,0,0,0,0|2,1,1]=4 93 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [0,0,0,0,0,0|2,1,1]=4 94 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [0,0,0,0,0,0|2,1,1]=4 95 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [0,0,0,0,0,0|2,1,1]=4 96 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [0,0,0,0,0,0|2,1,1]=4 97 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [0,0,0,0,0,0|2,1,1]=4 98 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,0,0,0,0,0|1,0,2]=3 99 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,0,0,0,0,0|1,0,2]=3 100 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,0,0|0,0,2]=2 101 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,0,0|0,0,2]=2 102 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,0,0,0,0,0|0,1,2]=3 103 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,0,0,0,0,0|0,1,2]=3 104 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [0,0,0,0,0,0|1,1,2]=4 105 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [0,0,0,0,0,0|1,1,2]=4 106 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [0,0,0,0,0,0|1,1,2]=4 107 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [0,0,0,0,0,0|1,1,2]=4 108 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,0,0|1,0,0]=1 109 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,0,0|1,0,0]=1 110 B11R1.3 CN(C)c1ccc(cc1)C#N 269982a_100000739737_200000210301 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.3 CN(C)c1ccc(cc1)C#N 34a_100000739737_200000210301 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,0,0,0,0,0|2,0,0]=2 114 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [0,0,0,0,0,0|2,1,0]=3 115 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [0,0,0,0,0,0|2,1,0]=3 116 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_100011465347_200025704644 [0,0,0,0,0,0|3,1,0]=4 117 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100011465347 [0,0,0,0,0,0|3,1,0]=4 118 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_100009992925_200025704644 [0,0,0,0,0,0|3,1,0]=4 119 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_200025704644_100009992925 [0,0,0,0,0,0|3,1,0]=4 120 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 269982a_100000739737_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 34a_100000739737_200025704644 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,0,0,0,0,0|2,0,1]=3 125 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,0,0,0,0,0|2,0,1]=3 126 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,0,0,0,0,0|2,0,1]=3 127 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,0,0,0,0,0|1,0,2]=3 128 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,0,0,0,0,0|1,0,2]=3 129 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [0,0,0,0,0,0|3,0,1]=4 131 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,0,0,0,0,0|2,0,0]=2 135 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.3 CNc1ccc(nn1)C(=O)N 27a_100102657272_100000761398 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,0,0|0,0,0]=0 141 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,0,0|0,0,0]=0 142 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,0,0|0,0,0]=0 143 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,0,0,0,0,0|1,0,0]=1 144 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,0,0,0,0,0|1,0,0]=1 145 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,0,0|0,0,0]=0 146 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,0,0,0,0,0|1,0,1]=2 147 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,0,0,0,0,0|1,0,1]=2 148 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,0,0|0,0,2]=2 149 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,0,0|0,0,2]=2 150 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,0,0,0,0,0|2,0,0]=2 153 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,0,0,0,0,0|2,0,0]=2 154 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,0,0,0,0,0|2,0,0]=2 156 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,0,0|1,0,0]=1 158 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,0,0|1,0,0]=1 159 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,0,0,0,0,0|1,0,1]=2 160 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,0,0,0,0,0|2,0,0]=2 161 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,0,0,0,0,0|2,0,0]=2 162 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,0,0,0,0,0|2,0,0]=2 163 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,0,0,0,0,0|1,0,0]=1 165 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,0,0,0,0,0|1,0,0]=1 166 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,0,0,0,0,0|3,0,0]=3 167 B11R1.3 COc1ccc(nn1)N(C)C 27a_100102631434_100010231723 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.3 COc1cnc(nc1)N(C)C 27a_100102631434_100000069167 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,0,0|1,0,0]=1 170 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,0,0|1,0,0]=1 171 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,0,0,0,0,0|1,1,0]=2 172 B11R1.3 CS(=O)c1ncc(cn1)S[13CH3] 62a_100010117237_200025704644 [0,0,0,0,0,0|3,1,0]=4 173 B11R1.3 CS(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010117237 [0,0,0,0,0,0|3,1,0]=4 174 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,0,0,0,0,0|2,1,1]=4 175 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,0,0,0,0,0|2,1,1]=4 176 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,0,0|0,1,0]=1 177 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,0,0|0,1,0]=1 178 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,0,0|0,1,0]=1 179 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,0,0,0,0,0|1,1,0]=2 180 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,0,0,0,0,0|1,1,0]=2 181 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,0,0|0,1,0]=1 182 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,0,0,0,0,0|1,1,1]=3 183 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,0,0,0,0,0|1,1,1]=3 184 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,0,0,0,0,0|0,1,2]=3 185 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,0,0,0,0,0|0,1,2]=3 186 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [0,0,0,0,0,0|2,1,1]=4 187 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [0,0,0,0,0,0|2,1,1]=4 188 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [0,0,0,0,0,0|2,1,0]=3 189 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [0,0,0,0,0,0|2,1,0]=3 190 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,0,0,0,0,0|1,1,0]=2 191 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [0,0,0,0,0,0|1,1,1]=3 192 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [0,0,0,0,0,0|1,1,1]=3 193 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [0,0,0,0,0,0|1,1,1]=3 194 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [0,0,0,0,0,0|1,1,1]=3 195 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,0,0,0,0,0|1,1,0]=2 196 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,0,0,0,0,0|1,1,0]=2 197 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,0,0,0,0,0|2,1,0]=3 198 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,0,0,0,0,0|2,1,0]=3 199 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [0,0,0,0,0,0|2,1,1]=4 200 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [0,0,0,0,0,0|2,1,1]=4 201 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [0,0,0,0,0,0|1,1,2]=4 202 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [0,0,0,0,0,0|1,1,2]=4 203 B11R1.3 CSc1ccc(cn1)N(C)C 62a_100009992925_200000210301 [0,0,0,0,0,0|3,1,0]=4 204 B11R1.3 CSc1ccc(cn1)N(C)C 62a_200000210301_100009992925 [0,0,0,0,0,0|3,1,0]=4 205 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [0,0,0,0,0,0|2,1,1]=4 206 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [0,0,0,0,0,0|2,1,1]=4 207 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,0,0,0,0,0|1,1,0]=2 208 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,0,0,0,0,0|1,1,0]=2 209 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,0,0,0,0,0|2,1,0]=3 210 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,0,0,0,0,0|2,1,0]=3 211 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [0,0,0,0,0,0|2,1,1]=4 212 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [0,0,0,0,0,0|2,1,1]=4 213 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [0,0,0,0,0,0|2,1,1]=4 214 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [0,0,0,0,0,0|2,1,1]=4 215 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [0,0,0,0,0,0|1,1,2]=4 216 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [0,0,0,0,0,0|1,1,2]=4 217 B11R1.3 CSc1ccc(nc1)N(C)C 27a_100102631434_100009820866 [0,0,0,0,0,0|3,1,0]=4 218 B11R1.3 CSc1ccc(nc1)N(C)C 62a_100011465347_200000210301 [0,0,0,0,0,0|3,1,0]=4 219 B11R1.3 CSc1ccc(nc1)N(C)C 62a_200000210301_100011465347 [0,0,0,0,0,0|3,1,0]=4 220 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_100000761398_200000210301 [0,0,0,0,0,0|3,1,0]=4 221 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_200000210301_100000761398 [0,0,0,0,0,0|3,1,0]=4 222 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,0,0,0,0,0|2,1,0]=3 223 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,0,0,0,0,0|2,1,0]=3 224 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,0,0,0,0,0|3,1,0]=4 225 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,0,0,0,0,0|3,1,0]=4 226 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,0,0,0,0,0|2,1,0]=3 227 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,0,0,0,0,0|2,1,0]=3 228 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_100009996756_200000210301 [0,0,0,0,0,0|3,1,0]=4 229 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_200000210301_100009996756 [0,0,0,0,0,0|3,1,0]=4 230 B11R1.3 CSc1cnc(nc1)S(=O)C 62a_100010117237_200000210301 [0,0,0,0,0,0|3,1,0]=4 231 B11R1.3 CSc1cnc(nc1)S(=O)C 62a_200000210301_100010117237 [0,0,0,0,0,0|3,1,0]=4 232 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,0,0,0,0,0|2,1,0]=3 233 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,0,0,0,0,0|2,1,0]=3 234 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [0,0,0,0,0,0|1,1,1]=3 235 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [0,0,0,0,0,0|1,1,1]=3 236 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,0,0,0,0,0|1,0,1]=2 237 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [0,0,0,0,0,0|1,1,1]=3 238 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [0,0,0,0,0,0|1,1,1]=3 239 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [0,0,0,0,0,0|2,1,1]=4 240 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [0,0,0,0,0,0|2,1,1]=4 241 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,0,0,0,0,0|2,0,0]=2 242 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,0,0,0,0,0|2,0,0]=2 243 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,0,0,0,0,0|2,0,0]=2 244 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,0,0,0,0,0|2,0,0]=2 245 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,0,0,0,0,0|2,0,0]=2 246 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [0,0,0,0,0,0|3,0,1]=4 247 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [0,0,0,0,0,0|3,0,1]=4 248 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,0,0,0,0,0|3,0,0]=3 249 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,0,0,0,0,0|3,0,0]=3 250 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,0,0,0,0,0|1,0,0]=1 251 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,0,0,0,0,0|1,0,0]=1 252 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,0,0,0,0,0|2,0,0]=2 253 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,0,0,0,0,0|2,0,0]=2 254 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,0,0,0,0,0|3,0,0]=3 255 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,0,0,0,0,0|2,1,1]=4 256 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,0,0,0,0,0|2,1,1]=4 257 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,0,0,0,0,0|1,1,0]=2 258 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,0,0,0,0,0|1,1,0]=2 259 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [0,0,0,0,0,0|2,1,1]=4 260 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [0,0,0,0,0,0|2,1,1]=4 261 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,0,0,0,0,0|2,1,0]=3 262 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,0,0,0,0,0|2,1,0]=3 263 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,0,0,0,0,0|2,1,0]=3 264 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,0,0,0,0,0|2,1,0]=3 265 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_100000761398_200025704644 [0,0,0,0,0,0|3,1,0]=4 266 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_200025704644_100000761398 [0,0,0,0,0,0|3,1,0]=4 267 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,0,0,0,0,0|3,1,0]=4 268 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,0,0,0,0,0|3,1,0]=4 269 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_100009996756_200025704644 [0,0,0,0,0,0|3,1,0]=4 270 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_200025704644_100009996756 [0,0,0,0,0,0|3,1,0]=4 271 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,0,0,0,0,0|1,0,2]=4 272 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,0,0,0,0,0|1,0,2]=4 273 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [1,0,0,0,0,0|1,0,2]=4 274 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [1,0,0,0,0,0|1,0,2]=4 275 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,0,0,0,0|1,0,1]=3 277 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|1,0,1]=3 278 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|2,0,1]=4 279 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|1,0,1]=3 282 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|1,0,1]=3 283 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|1,0,1]=3 285 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|0,0,1]=2 286 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|0,0,1]=2 287 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|0,0,1]=2 288 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|0,0,1]=2 289 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|0,0,1]=2 290 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|0,1,1]=3 291 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|0,1,1]=3 292 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|0,1,1]=3 293 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|0,1,1]=3 294 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|0,1,1]=3 295 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,0,0,0,0,0|1,0,1]=3 299 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [1,0,0,0,0,0|1,1,1]=4 300 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,0,0,0,0,0|2,0,1]=4 301 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|2,0,1]=4 302 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [1,0,0,0,0,0|2,0,1]=4 303 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,0,0,0,0,0|1,0,1]=3 304 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [1,0,0,0,0,0|1,1,1]=4 305 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [1,0,0,0,0,0|1,1,1]=4 306 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [1,0,0,0,0,0|1,1,1]=4 307 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [1,0,0,0,0,0|1,1,1]=4 308 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [1,0,0,0,0,0|1,1,1]=4 309 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [1,0,0,0,0,0|2,0,1]=4 310 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [1,0,0,0,0,0|2,0,1]=4 311 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [1,0,0,0,0,0|2,0,1]=4 312 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [1,0,0,0,0,0|2,0,1]=4 313 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|1,0,1]=3 314 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|1,0,1]=3 315 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|1,0,1]=3 316 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|1,0,1]=3 317 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|0,0,1]=2 318 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|0,0,1]=2 319 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|0,0,1]=2 320 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|0,0,1]=2 321 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|0,1,1]=3 322 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|0,1,1]=3 323 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|0,1,1]=3 324 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|0,1,1]=3 325 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [1,0,0,0,0,0|1,1,1]=4 326 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [1,0,0,0,0,0|1,1,1]=4 327 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [1,0,0,0,0,0|1,1,1]=4 328 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [1,0,0,0,0,0|1,1,1]=4 329 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [1,0,0,0,0,0|1,1,1]=4 330 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [1,0,0,0,0,0|1,1,1]=4 331 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [1,0,0,0,0,0|1,1,1]=4 332 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [1,0,0,0,0,0|1,1,1]=4 333 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,0,0,0,0,0|2,0,1]=4 334 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|1,0,2]=4 335 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|1,0,2]=4 336 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,0,0,0,0|1,0,0]=2 337 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,0,0,0,0|1,0,0]=2 338 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,0,0,0,0|1,0,0]=2 339 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,0,0,0,0,0|1,1,0]=3 340 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,0,0,0,0,0|1,1,0]=3 341 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,0,0,0,0,0|1,1,0]=3 342 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,0,0,0,0,0|1,1,0]=3 343 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,0,0,0,0,0|1,1,0]=3 344 B10R1.3 CNc1ccc(cn1)SC 27a_100102657272_100009820866 [1,0,0,0,0,0|2,1,0]=4 345 B10R1.3 CNc1ccc(cn1)SC 62a_100000741341_200000210301 [1,0,0,0,0,0|2,1,0]=4 346 B10R1.3 CNc1ccc(cn1)SC 62a_200000210301_100000741341 [1,0,0,0,0,0|2,1,0]=4 347 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_100000741341_200025704644 [1,0,0,0,0,0|2,1,0]=4 348 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741341 [1,0,0,0,0,0|2,1,0]=4 349 B10R1.3 CNc1ccc(nc1)SC 62a_100000764248_200000210301 [1,0,0,0,0,0|2,1,0]=4 350 B10R1.3 CNc1ccc(nc1)SC 62a_200000210301_100000764248 [1,0,0,0,0,0|2,1,0]=4 351 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_100000764248_200025704644 [1,0,0,0,0,0|2,1,0]=4 352 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_200025704644_100000764248 [1,0,0,0,0,0|2,1,0]=4 353 B10R1.3 CNc1ccc(nn1)OC 27a_100102657272_100010231723 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.3 CNc1cnc(cn1)C=O 27a_100102657272_100012001714 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.3 CNc1ncc(cn1)C=O 27a_100102657272_100000070856 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.3 CNc1ncc(cn1)OC 27a_100102657272_100000069167 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 358 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 359 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,1]=3 360 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|0,0,2]=3 361 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,0,0,0,0|1,0,0]=2 362 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,0,0,0,0|1,0,0]=2 363 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,0,0,0,0|1,0,0]=2 364 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,0,0,0,0|1,0,0]=2 365 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,0,0,0,0|1,0,0]=2 366 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,0,0,0,0|1,0,0]=2 367 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|2,0,1]=4 368 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [1,0,0,0,0,0|2,0,0]=3 369 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [1,0,0,0,0,0|2,0,0]=3 370 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [1,0,0,0,0,0|2,0,0]=3 371 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 374 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|2,0,1]=4 376 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,0,0,0,0,0|1,0,2]=4 377 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [1,0,0,0,0,0|2,0,0]=3 380 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [1,0,0,0,0,0|2,0,0]=3 381 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [1,0,0,0,0,0|2,0,0]=3 382 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [1,0,0,0,0,0|2,0,0]=3 383 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [1,0,0,0,0,0|2,0,0]=3 384 B10R1.3 COc1ccc(nn1)SC 62a_100009819040_200000210301 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.3 COc1ccc(nn1)SC 62a_200000210301_100009819040 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.3 COc1ccc(nn1)S[13CH3] 62a_100009819040_200025704644 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.3 COc1ccc(nn1)S[13CH3] 62a_200025704644_100009819040 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.3 COc1cnc(cn1)SC 62a_100011998698_200000210301 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.3 COc1cnc(cn1)SC 62a_200000210301_100011998698 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.3 COc1cnc(cn1)S[13CH3] 62a_100011998698_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.3 COc1cnc(cn1)S[13CH3] 62a_200025704644_100011998698 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.3 COc1cnc(nc1)OC 34a_100000099601_200000210301 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.3 COc1cnc(nc1)OC 7a_100000099601_200000210301 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.3 COc1cnc(nc1)SC 34a_100000075549_200000210301 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.3 COc1cnc(nc1)SC 62a_100000069167_200000210301 [1,0,0,0,0,0|3,0,0]=4 396 B10R1.3 COc1cnc(nc1)SC 62a_200000210301_100000069167 [1,0,0,0,0,0|3,0,0]=4 397 B10R1.3 COc1cnc(nc1)SC 7a_100000075549_200000210301 [1,0,0,0,0,0|3,0,0]=4 398 B10R1.3 COc1cnc(nc1)S[13CH3] 62a_100000069167_200025704644 [1,0,0,0,0,0|3,0,0]=4 399 B10R1.3 COc1cnc(nc1)S[13CH3] 62a_200025704644_100000069167 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.3 COc1ncc(cn1)O[13CH3] 34a_100000099601_200025704644 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.3 COc1ncc(cn1)O[13CH3] 7a_100000099601_200025704644 [1,0,0,0,0,0|3,0,0]=4 402 B10R1.3 COc1ncc(cn1)SC 62a_100000686852_200000210301 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.3 COc1ncc(cn1)SC 62a_200000210301_100000686852 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.3 COc1ncc(cn1)S[13CH3] 62a_100000686852_200025704644 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.3 COc1ncc(cn1)S[13CH3] 62a_200025704644_100000686852 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,0,0,0,0,0|1,1,1]=4 407 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|0,1,0]=2 408 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|0,1,0]=2 409 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|1,1,1]=4 410 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|1,1,1]=4 411 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|1,1,1]=4 412 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|1,1,1]=4 413 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|0,1,2]=4 414 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|0,1,2]=4 415 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|2,1,0]=4 416 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|2,1,0]=4 417 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,0,0,0,0,0|1,1,0]=3 418 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,0,0,0,0|1,0,0]=2 419 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,0,0,0,0,0|1,1,0]=3 420 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,0,0,0,0,0|1,1,0]=3 421 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,0,0,0,0,0|1,1,0]=3 422 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,0,0,0,0,0|1,1,0]=3 423 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,0,0,0,0|1,1,0]=3 424 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,0,0,0,0|1,1,0]=3 425 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_100011408404_200025704644 [1,0,0,0,0,0|2,1,0]=4 426 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_200025704644_100011408404 [1,0,0,0,0,0|2,1,0]=4 427 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,0,0,0,0|1,1,0]=3 428 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,0,0,0,0|1,1,0]=3 429 B10R1.3 CSc1ccc(nc1)SC 62a_100009820866_200000210301 [1,0,0,0,0,0|2,1,0]=4 430 B10R1.3 CSc1ccc(nc1)SC 62a_100011408404_200000210301 [1,0,0,0,0,0|2,1,0]=4 431 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100009820866 [1,0,0,0,0,0|2,1,0]=4 432 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100011408404 [1,0,0,0,0,0|2,1,0]=4 433 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_100009820866_200025704644 [1,0,0,0,0,0|2,1,0]=4 434 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_200025704644_100009820866 [1,0,0,0,0,0|2,1,0]=4 435 B10R1.3 CSc1ccc(nn1)C=O 62a_100000044651_200000210301 [1,0,0,0,0,0|2,1,0]=4 436 B10R1.3 CSc1ccc(nn1)C=O 62a_200000210301_100000044651 [1,0,0,0,0,0|2,1,0]=4 437 B10R1.3 CSc1cnc(cn1)C=O 62a_100012001714_200000210301 [1,0,0,0,0,0|2,1,0]=4 438 B10R1.3 CSc1cnc(cn1)C=O 62a_200000210301_100012001714 [1,0,0,0,0,0|2,1,0]=4 439 B10R1.3 CSc1ncc(cn1)C=O 62a_100000070856_200000210301 [1,0,0,0,0,0|2,1,0]=4 440 B10R1.3 CSc1ncc(cn1)C=O 62a_200000210301_100000070856 [1,0,0,0,0,0|2,1,0]=4 441 B10R1.3 CSc1ncc(cn1)O[13CH3] 34a_100000075549_200025704644 [1,0,0,0,0,0|3,0,0]=4 442 B10R1.3 CSc1ncc(cn1)O[13CH3] 7a_100000075549_200025704644 [1,0,0,0,0,0|3,0,0]=4 443 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,0,0,0,0,0|2,0,1]=4 444 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|1,0,2]=4 445 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|1,0,2]=4 446 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 447 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 448 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,1]=3 449 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|0,0,2]=3 450 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|2,0,1]=4 451 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 452 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 453 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|2,0,1]=4 454 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,0,0,0,0,0|1,0,2]=4 455 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,0,0,0,0,0|1,1,1]=4 456 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|0,1,0]=2 457 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|0,1,0]=2 458 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|1,1,1]=4 459 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|1,1,1]=4 460 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|1,1,1]=4 461 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|1,1,1]=4 462 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|0,1,2]=4 463 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|0,1,2]=4 464 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|2,1,0]=4 465 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|2,1,0]=4 466 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,0,0,0,0|1,1,0]=3 467 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,0,0,0,0|1,1,0]=3 468 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,0,0,0,0|1,1,0]=3 469 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,0,0,0,0|1,1,0]=3 470 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_100000044651_200025704644 [1,0,0,0,0,0|2,1,0]=4 471 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_200025704644_100000044651 [1,0,0,0,0,0|2,1,0]=4 472 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_100012001714_200025704644 [1,0,0,0,0,0|2,1,0]=4 473 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_200025704644_100012001714 [1,0,0,0,0,0|2,1,0]=4 474 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_100000070856_200025704644 [1,0,0,0,0,0|2,1,0]=4 475 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_200025704644_100000070856 [1,0,0,0,0,0|2,1,0]=4 476 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,0,0,0,0,0|2,0,1]=4 477 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,0,0,0,0,0|2,0,1]=4 478 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|2,0,0]=3 479 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|1,0,0]=2 480 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|2,0,0]=3 481 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|2,0,0]=3 482 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|2,0,0]=3 483 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|1,0,0]=2 484 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|1,0,0]=2 485 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,0,0,0,0,0|3,0,0]=4 486 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,0|2,0,0]=3 487 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,0,0,0,0,0|3,0,0]=4 488 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,0,0,0,0,0|3,0,0]=4 489 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,0,0,0,0,0|3,0,0]=4 490 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|2,0,0]=3 491 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,0,0,0,0,0|3,0,0]=4 492 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,0|2,0,0]=3 493 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,0,0,0,0,0|3,0,0]=4 494 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,0,0,0,0,0|3,0,0]=4 495 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,0,0,0,0,0|3,0,0]=4 496 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [1,0,0,0,0,0|3,0,0]=4 497 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [1,0,0,0,0,0|3,0,0]=4 498 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [1,0,0,0,0,0|3,0,0]=4 499 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [1,0,0,0,0,0|3,0,0]=4 500 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [1,0,0,0,0,0|3,0,0]=4 501 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|1,0,0]=2 502 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|0,0,0]=1 503 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|1,0,0]=2 504 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|1,0,0]=2 505 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|1,0,0]=2 506 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|0,0,0]=1 507 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|0,0,0]=1 508 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|1,0,0]=2 509 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|1,0,0]=2 510 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,0,0|2,0,0]=3 511 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,0,0|2,0,0]=3 512 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,0,0,0,0,0|2,0,0]=3 513 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|1,0,1]=3 514 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,0,0,0,0,0|2,0,1]=4 515 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,0,0,0,0,0|2,0,1]=4 516 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,0,0,0,0,0|2,0,1]=4 517 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|0,0,2]=3 518 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|1,0,2]=4 519 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|1,0,2]=4 520 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,0,0,0,0,0|3,0,0]=4 521 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,0,0,0,0,0|3,0,0]=4 522 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,0,0,0,0,0|3,0,0]=4 523 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,0,0,0,0,0|3,0,0]=4 524 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,0,0,0,0,0|3,0,0]=4 525 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,0,0,0,0,0|3,0,0]=4 526 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,0,0,0,0,0|3,0,0]=4 530 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,0,0,0,0,0|3,0,0]=4 531 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|2,0,0]=3 533 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|2,0,0]=3 534 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|2,0,0]=3 535 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [1,0,0,0,0,0|3,0,0]=4 536 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [1,0,0,0,0,0|3,0,0]=4 537 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,0,0,0,0,0|3,0,0]=4 538 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,0,0,0,0,0|3,0,0]=4 539 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,0,0,0,0,0|3,0,0]=4 542 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,0,0,0,0,0|3,0,0]=4 543 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,0,0,0,0,0|3,0,0]=4 545 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,0,0,0,0,0|3,0,0]=4 546 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,0,0,0,0,0|3,0,0]=4 547 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,0,0,0,0,0|3,0,0]=4 548 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,0,0,0,0,0|3,0,0]=4 549 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|2,0,0]=3 550 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|2,0,0]=3 551 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|1,0,0]=2 552 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [1,0,0,0,0,0|3,0,0]=4 553 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|1,0,1]=3 554 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|1,0,1]=3 555 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,0,0,0,0,0|2,0,1]=4 556 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|0,0,0]=1 557 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|2,0,0]=3 558 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|2,0,0]=3 559 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|2,0,0]=3 560 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|2,0,0]=3 561 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|2,0,0]=3 562 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|2,0,0]=3 563 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|1,0,0]=2 564 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|2,0,0]=3 565 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|2,0,0]=3 566 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,0,0,0,0,0|3,0,0]=4 567 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,0,0,0,0,0|3,0,0]=4 568 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [1,0,0,0,0,0|3,0,0]=4 569 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|2,0,1]=4 570 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,1]=4 571 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|1,0,0]=2 572 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|1,0,0]=2 573 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|1,0,0]=2 574 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|1,0,0]=2 575 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|0,0,0]=1 576 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,1,0,0,0,0|1,0,1]=3 577 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,1,0,0,0,0|1,0,1]=3 578 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,1,0,0,0,0|1,0,1]=3 579 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,1,0,0,0,0|1,0,1]=3 580 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,1,0,0,0,0|1,0,1]=3 581 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,1,0,0,0,0|1,0,1]=3 582 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,1,0,0,0,0|1,0,2]=4 583 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,1,0,0,0,0|1,0,2]=4 584 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,1,0,0,0,0|1,0,1]=3 585 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,1,0,0,0,0|1,0,1]=3 586 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,1,0,0,0,0|1,0,1]=3 587 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,1,0,0,0,0|1,0,1]=3 588 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,1,0,0,0,0|1,0,1]=3 589 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,1,0,0,0,0|1,0,1]=3 590 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,1,0,0,0,0|1,0,1]=3 591 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,1,0,0,0,0|1,0,1]=3 592 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,1,0,0,0,0|1,0,1]=3 593 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,1,0,0,0,0|1,0,1]=3 594 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,1,0,0,0,0|1,0,1]=3 596 B12R1.5 C=Cc1ccc(cn1)C(=O)NC 271570a_100011290941_100000159860 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.5 C=Cc1ccc(nc1)C(=O)CC 271570a_100011290941_100012351654 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.5 C=Cc1ccc(nc1)C(=O)NC 271570a_100011290941_100011781262 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|0,0,1]=2 602 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,1,0,0,0,0|1,1,1]=4 605 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,1,0,0,0,0|1,1,1]=4 606 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|1,0,1]=3 607 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,1,0,0,0,0|2,0,0]=3 608 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,1,0,0,0,0|1,0,0]=2 609 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,1,0,0,0,0|0,0,0]=1 611 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,1,0,0,0,0|0,0,0]=1 612 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,1,0,0,0,0|0,0,0]=1 613 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,1,0,0,0,0|0,0,0]=1 614 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,1,0,0,0,0|0,0,0]=1 615 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,1,0,0,0,0|0,1,0]=2 616 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,1,0,0,0,0|0,1,0]=2 617 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,1,0,0,0,0|0,1,0]=2 618 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,1,0,0,0,0|0,1,0]=2 619 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,1,0,0,0,0|0,1,0]=2 620 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,1,0,0,0,0|1,1,0]=3 621 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,1,0,0,0,0|1,1,0]=3 622 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,1,0,0,0,0|1,1,0]=3 623 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,1,0,0,0,0|1,1,0]=3 624 B12R1.5 CCC(=O)c1ncc(cn1)SC 62a_200000210301_200010116844 [0,1,0,0,0,0|2,1,0]=4 625 B12R1.5 CCC(=O)c1ncc(cn1)SC 62a_200010116844_200000210301 [0,1,0,0,0,0|2,1,0]=4 626 B12R1.5 CCC(=O)c1ncc(cn1)S[13CH3] 62a_200010116844_200025704644 [0,1,0,0,0,0|2,1,0]=4 627 B12R1.5 CCC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_200010116844 [0,1,0,0,0,0|2,1,0]=4 628 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,1,0,0,0,0|2,0,1]=4 629 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,1,0,0,0,0|2,0,1]=4 631 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,1,0,0,0,0|2,0,1]=4 632 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,1,0,0,0,0|2,0,1]=4 633 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,1,0,0,0,0|2,0,1]=4 634 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|1,0,1]=3 635 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|1,0,1]=3 636 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|1,0,1]=3 637 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|1,0,1]=3 638 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,1,0,0,0,0|1,1,1]=4 639 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,1,0,0,0,0|1,1,1]=4 640 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,1,0,0,0,0|1,1,1]=4 641 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,1,0,0,0,0|1,1,1]=4 642 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|1,0,1]=3 643 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|1,0,1]=3 644 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|0,1,2]=4 645 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|0,1,2]=4 646 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|0,1,2]=4 647 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|0,1,2]=4 648 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,1,0,0,0,0|1,1,1]=4 652 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,1,0,0,0,0|1,1,1]=4 653 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,1,0,0,0,0|1,1,1]=4 654 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,1,0,0,0,0|1,1,1]=4 655 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,1,0,0,0,0|1,0,0]=2 656 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,1,0,0,0,0|1,0,0]=2 657 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,1,0,0,0,0|1,0,0]=2 658 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,1,0,0,0,0|1,0,0]=2 659 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,1,0,0,0,0|1,0,0]=2 660 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,1,0,0,0,0|2,0,1]=4 662 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,1,0,0,0,0|2,0,1]=4 663 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,1,0,0,0,0|2,0,1]=4 664 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,1,0,0,0,0|2,0,1]=4 665 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|1,0,2]=4 666 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|1,0,2]=4 667 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|1,0,2]=4 668 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|1,0,2]=4 669 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,1,0,0,0,0|1,0,0]=2 676 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,1,0,0,0,0|1,0,0]=2 677 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,1,0,0,0,0|1,0,0]=2 678 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,1,0,0,0,0|1,0,0]=2 679 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,1,0,0,0,0|1,0,0]=2 680 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,1,0,0,0,0|0,0,0]=1 681 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,1,0,0,0,0|0,0,0]=1 682 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,1,0,0,0,0|0,0,0]=1 683 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,1,0,0,0,0|0,0,0]=1 684 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,1,0,0,0,0|0,0,0]=1 685 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,1,0,0,0,0|0,0,0]=1 686 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,1,0,0,0,0|0,0,0]=1 687 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,1,0,0,0,0|0,0,0]=1 688 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,1,0,0,0,0|0,1,0]=2 689 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,1,0,0,0,0|0,1,0]=2 690 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,1,0,0,0,0|0,1,0]=2 691 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,1,0,0,0,0|0,1,0]=2 692 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,1,0,0,0,0|0,1,0]=2 693 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,1,0,0,0,0|0,1,0]=2 694 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,1,0,0,0,0|0,1,0]=2 695 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,1,0,0,0,0|0,1,0]=2 696 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,1,0,0,0,0|1,0,0]=2 698 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,1,0,0,0,0|1,0,0]=2 699 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,1,0,0,0,0|1,0,0]=2 700 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,1,0,0,0,0|1,0,0]=2 701 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,1,0,0,0,0|1,1,0]=3 702 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,1,0,0,0,0|1,1,0]=3 703 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,1,0,0,0,0|1,1,0]=3 704 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,1,0,0,0,0|1,1,0]=3 705 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,1,0,0,0,0|1,1,0]=3 707 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,1,0,0,0,0|1,1,0]=3 708 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,1,0,0,0,0|1,1,0]=3 709 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,1,0,0,0,0|1,1,0]=3 710 B12R1.5 CNC(=O)c1ncc(cn1)NC 27a_100102657272_200010127873 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.5 CNC(=O)c1ncc(cn1)SC 62a_200000210301_200010127873 [0,1,0,0,0,0|2,1,0]=4 712 B12R1.5 CNC(=O)c1ncc(cn1)SC 62a_200010127873_200000210301 [0,1,0,0,0,0|2,1,0]=4 713 B12R1.5 CNC(=O)c1ncc(cn1)S[13CH3] 62a_200010127873_200025704644 [0,1,0,0,0,0|2,1,0]=4 714 B12R1.5 CNC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_200010127873 [0,1,0,0,0,0|2,1,0]=4 715 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|1,0,1]=3 716 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,1,0,0,0,0|1,1,1]=4 717 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,1,0,0,0,0|1,1,1]=4 718 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,1,0,0,0,0|1,1,1]=4 719 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,1,0,0,0,0|1,1,1]=4 720 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,1,0,0,0,0|1,1,1]=4 721 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,1,0,0,0,0|1,1,1]=4 722 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|1,0,1]=3 724 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 726 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,1,0,0,0,0|2,0,0]=3 730 B12R1.5 CNc1ccc(nn1)C(=O)OC 27a_100102657272_100000738951 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.5 CNc1cnc(cn1)C(=O)OC 27a_100102657272_100010219404 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.5 CNc1ncc(cn1)C(=O)OC 27a_100102657272_100000729365 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,1,0,0,0,0|0,0,0]=1 734 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,1,0,0,0,0|0,0,0]=1 735 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,1,0,0,0,0|0,0,0]=1 736 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,1,0,0,0,0|0,0,0]=1 737 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,1,0,0,0,0|0,1,0]=2 738 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,1,0,0,0,0|0,1,0]=2 739 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,1,0,0,0,0|0,1,0]=2 740 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,1,0,0,0,0|0,1,0]=2 741 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,1,0,0,0,0|1,0,0]=2 742 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,1,0,0,0,0|1,0,0]=2 743 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,1,0,0,0,0|1,0,0]=2 744 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,1,0,0,0,0|1,0,0]=2 745 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,1,0,0,0,0|1,1,0]=3 746 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,1,0,0,0,0|1,1,0]=3 747 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,1,0,0,0,0|1,1,0]=3 748 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,1,0,0,0,0|1,1,0]=3 749 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,1,0,0,0,0|1,1,0]=3 750 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,1,0,0,0,0|1,1,0]=3 751 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,1,0,0,0,0|1,1,0]=3 752 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,1,0,0,0,0|1,1,0]=3 753 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_100000738951_200000210301 [0,1,0,0,0,0|2,1,0]=4 754 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_200000210301_100000738951 [0,1,0,0,0,0|2,1,0]=4 755 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_100000738951_200025704644 [0,1,0,0,0,0|2,1,0]=4 756 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100000738951 [0,1,0,0,0,0|2,1,0]=4 757 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_100010219404_200000210301 [0,1,0,0,0,0|2,1,0]=4 758 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_200000210301_100010219404 [0,1,0,0,0,0|2,1,0]=4 759 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_100010219404_200025704644 [0,1,0,0,0,0|2,1,0]=4 760 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100010219404 [0,1,0,0,0,0|2,1,0]=4 761 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_100000729365_200000210301 [0,1,0,0,0,0|2,1,0]=4 762 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_200000210301_100000729365 [0,1,0,0,0,0|2,1,0]=4 763 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_100000729365_200025704644 [0,1,0,0,0,0|2,1,0]=4 764 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000729365 [0,1,0,0,0,0|2,1,0]=4 765 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_100000690087_200000210301 [0,1,0,0,0,0|2,1,0]=4 766 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_200000210301_100000690087 [0,1,0,0,0,0|2,1,0]=4 767 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_100000690087_200025704644 [0,1,0,0,0,0|2,1,0]=4 768 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100000690087 [0,1,0,0,0,0|2,1,0]=4 769 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|0,0,2]=3 770 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|0,0,2]=3 771 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,1,0,0,0,0|0,1,2]=4 772 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,1,0,0,0,0|0,1,2]=4 773 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,1,0,0,0,0|0,1,2]=4 774 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,1,0,0,0,0|0,1,2]=4 775 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|0,0,1]=2 776 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,0,0,0,0|1,0,1]=3 777 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,1,0,0,0,0|0,0,0]=1 778 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,1,0,0,0,0|0,0,0]=1 779 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,1,0,0,0,0|0,0,0]=1 780 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,1,0,0,0,0|0,0,0]=1 781 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,1,0,0,0,0|0,0,0]=1 782 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,1,0,0,0,0|1,0,0]=2 783 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|1,0,1]=3 784 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|0,0,2]=3 785 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|0,0,2]=3 786 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|0,0,2]=3 787 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|0,0,2]=3 788 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|0,0,2]=3 789 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|0,0,2]=3 790 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|0,0,2]=3 791 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,1,0,0,0,0|2,0,0]=3 793 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|1,0,1]=3 794 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,1,0,0,0,0|0,1,1]=3 795 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,1,0,0,0,0|0,1,1]=3 796 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,1,0,0,0,0|0,1,1]=3 797 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,1,0,0,0,0|0,1,0]=2 798 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,1,0,0,0,0|0,1,0]=2 799 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,1,0,0,0,0|0,1,0]=2 800 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,1,0,0,0,0|0,1,0]=2 801 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,1,0,0,0,0|0,1,0]=2 802 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,1,0,0,0,0|1,1,0]=3 803 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,1,0,0,0,0|1,1,0]=3 804 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,1,0,0,0,0|1,1,1]=4 805 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,1,0,0,0,0|1,1,1]=4 806 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,1,0,0,0,0|1,1,1]=4 807 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,1,0,0,0,0|1,1,1]=4 808 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,1,0,0,0,0|1,1,1]=4 809 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|0,1,2]=4 810 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|0,1,2]=4 811 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|0,1,2]=4 812 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|0,1,2]=4 813 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,1,0,0,0,0|2,1,0]=4 814 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,1,0,0,0,0|2,1,0]=4 815 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_100011781063_200000210301 [0,1,0,0,0,0|2,1,0]=4 816 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_200000210301_100011781063 [0,1,0,0,0,0|2,1,0]=4 817 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,1,0,0,0,0|2,0,0]=3 818 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,0,0,0,0|1,0,1]=3 820 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,1,0,0,0,0|0,0,0]=1 821 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,1,0,0,0,0|0,0,0]=1 822 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,1,0,0,0,0|0,0,0]=1 823 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,1,0,0,0,0|0,0,0]=1 824 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|0,0,2]=3 826 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,1,0,0,0,0|0,1,1]=3 827 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,1,0,0,0,0|0,1,1]=3 828 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,1,0,0,0,0|0,1,1]=3 829 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,1,0,0,0,0|0,1,0]=2 830 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,1,0,0,0,0|0,1,0]=2 831 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,1,0,0,0,0|0,1,0]=2 832 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,1,0,0,0,0|0,1,0]=2 833 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,1,0,0,0,0|1,1,0]=3 834 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,1,0,0,0,0|1,1,0]=3 835 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,1,0,0,0,0|1,1,1]=4 836 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,1,0,0,0,0|1,1,1]=4 837 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|0,1,2]=4 838 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|0,1,2]=4 839 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|0,1,2]=4 840 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|0,1,2]=4 841 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,1,0,0,0,0|2,1,0]=4 842 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,1,0,0,0,0|2,1,0]=4 843 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_100011781063_200025704644 [0,1,0,0,0,0|2,1,0]=4 844 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_200025704644_100011781063 [0,1,0,0,0,0|2,1,0]=4 845 B12R1.6 C=Cc1ccc(cc1)S(=O)(=O)C 271570a_100011290941_100000765142 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 2230a_100000210346_200025704644 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 34a_100000210346_200025704644 [0,1,0,0,0,0|2,0,1]=4 848 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 7a_100000210346_200025704644 [0,1,0,0,0,0|2,0,1]=4 849 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [0,1,0,0,0,0|1,0,1]=3 850 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [0,1,0,0,0,0|1,0,1]=3 851 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_100011215385_200025704644 [0,1,0,0,0,0|1,1,1]=4 852 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215385 [0,1,0,0,0,0|1,1,1]=4 853 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_100000739617_200025704644 [0,1,0,0,0,0|1,1,1]=4 854 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000739617 [0,1,0,0,0,0|1,1,1]=4 855 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,1,0,0,0,0|0,0,2]=3 856 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,1,0,0,0,0|0,0,2]=3 857 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_100000753367_200025704644 [0,1,0,0,0,0|0,1,2]=4 858 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753367 [0,1,0,0,0,0|0,1,2]=4 859 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_100009817129_200025704644 [0,1,0,0,0,0|1,1,1]=4 860 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_200025704644_100009817129 [0,1,0,0,0,0|1,1,1]=4 861 B12R1.6 CNc1ccc(cc1)C(C)(C)C 2230a_100000210346_200000210301 [0,1,0,0,0,0|2,0,1]=4 862 B12R1.6 CNc1ccc(cc1)C(C)(C)C 34a_100000210346_200000210301 [0,1,0,0,0,0|2,0,1]=4 863 B12R1.6 CNc1ccc(cc1)C(C)(C)C 7a_100000210346_200000210301 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_200000210301 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_200000210301 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.6 CNc1ccc(cc1)S(=O)(=O)N 34a_100000182716_200000210301 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.6 CNc1ccc(cc1)[Si](C)(C)C 7a_100009954384_200000210301 [0,1,0,0,0,0|2,1,0]=4 868 B12R1.6 CNc1ccc(cn1)S(=O)(=O)C 27a_100102657272_100009816761 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [0,1,0,0,0,0|1,0,1]=3 870 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [0,1,0,0,0,0|1,0,1]=3 871 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,1,0,0,0,0|0,0,2]=3 872 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,1,0,0,0,0|0,0,2]=3 873 B12R1.6 COc1ccc(cc1)C(F)(F)F 34a_100000181324_200000210301 [0,1,0,0,0,0|2,0,1]=4 874 B12R1.6 COc1ccc(cc1)C(F)(F)F 7a_100000181324_200000210301 [0,1,0,0,0,0|2,0,1]=4 875 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [0,1,0,0,0,0|1,0,0]=2 876 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [0,1,0,0,0,0|1,0,0]=2 877 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000195502_200025704644 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000195502_200025704644 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [0,1,0,0,0,0|1,0,0]=2 883 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [0,1,0,0,0,0|1,0,0]=2 884 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765142_200025704644 [0,1,0,0,0,0|1,1,0]=3 885 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765142 [0,1,0,0,0,0|1,1,0]=3 886 B12R1.6 CS(=O)(=O)c1ccc(cn1)S[13CH3] 62a_100009814649_200025704644 [0,1,0,0,0,0|2,1,0]=4 887 B12R1.6 CS(=O)(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100009814649 [0,1,0,0,0,0|2,1,0]=4 888 B12R1.6 CS(=O)(=O)c1ccc(nc1)S[13CH3] 62a_100009816761_200025704644 [0,1,0,0,0,0|2,1,0]=4 889 B12R1.6 CS(=O)(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100009816761 [0,1,0,0,0,0|2,1,0]=4 890 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_100011215385_200000210301 [0,1,0,0,0,0|1,1,1]=4 891 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_200000210301_100011215385 [0,1,0,0,0,0|1,1,1]=4 892 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_100000739617_200000210301 [0,1,0,0,0,0|1,1,1]=4 893 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_200000210301_100000739617 [0,1,0,0,0,0|1,1,1]=4 894 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_100000753367_200000210301 [0,1,0,0,0,0|0,1,2]=4 895 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_200000210301_100000753367 [0,1,0,0,0,0|0,1,2]=4 896 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_100009817129_200000210301 [0,1,0,0,0,0|1,1,1]=4 897 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_200000210301_100009817129 [0,1,0,0,0,0|1,1,1]=4 898 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_200000210301 [0,1,0,0,0,0|1,1,0]=3 899 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000765142 [0,1,0,0,0,0|1,1,0]=3 900 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N 62a_100000701559_200000210301 [0,1,0,0,0,0|2,1,0]=4 901 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N 62a_200000210301_100000164505 [0,1,0,0,0,0|2,1,0]=4 902 B12R1.6 CSc1ccc(cc1)[Si](C)(C)C 62a_100009813420_200000210301 [0,1,0,0,0,0|1,2,0]=4 903 B12R1.6 CSc1ccc(cc1)[Si](C)(C)C 62a_200000210301_100009813420 [0,1,0,0,0,0|1,2,0]=4 904 B12R1.6 CSc1ccc(cn1)S(=O)(=O)C 62a_100009816761_200000210301 [0,1,0,0,0,0|2,1,0]=4 905 B12R1.6 CSc1ccc(cn1)S(=O)(=O)C 62a_200000210301_100009816761 [0,1,0,0,0,0|2,1,0]=4 906 B12R1.6 CSc1ccc(nc1)S(=O)(=O)C 62a_100009814649_200000210301 [0,1,0,0,0,0|2,1,0]=4 907 B12R1.6 CSc1ccc(nc1)S(=O)(=O)C 62a_200000210301_100009814649 [0,1,0,0,0,0|2,1,0]=4 908 B12R1.6 C[Si](C)(C)c1ccc(cc1)N[13CH3] 7a_100009954384_200025704644 [0,1,0,0,0,0|2,1,0]=4 909 B12R1.6 C[Si](C)(C)c1ccc(cc1)S[13CH3] 62a_100009813420_200025704644 [0,1,0,0,0,0|1,2,0]=4 910 B12R1.6 C[Si](C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813420 [0,1,0,0,0,0|1,2,0]=4 911 B12R1.6 [13CH3]Nc1ccc(cc1)S(=O)(=O)N 34a_100000182716_200025704644 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.6 [13CH3]Oc1ccc(cc1)C(F)(F)F 34a_100000181324_200025704644 [0,1,0,0,0,0|2,0,1]=4 913 B12R1.6 [13CH3]Oc1ccc(cc1)C(F)(F)F 7a_100000181324_200025704644 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [0,1,0,0,0,0|2,0,0]=3 916 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [0,1,0,0,0,0|2,0,0]=3 917 B12R1.6 [13CH3]Sc1ccc(cc1)S(=O)(=O)N 62a_100000701559_200025704644 [0,1,0,0,0,0|2,1,0]=4 918 B12R1.6 [13CH3]Sc1ccc(cc1)S(=O)(=O)N 62a_200025704644_100000164505 [0,1,0,0,0,0|2,1,0]=4 919 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,1,0,0,0,0|1,0,1]=3 920 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,1,0,0,0,0|1,0,1]=3 921 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,1,0,0,0,0|1,0,1]=3 922 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,1,0,0,0,0|1,0,1]=3 923 B12R1.48 C=C(C)c1cc(c(cn1)NC)N 271570a_100000694244_200015721873 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.48 C=C(C)c1cc(c(cn1)OC)N 271570a_100000694244_100010896307 [0,1,0,0,0,0|2,0,0]=3 925 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [0,1,0,0,0,0|2,0,0]=3 926 B12R1.48 C=C(C)c1cc(c(nn1)OC)C 271570a_100000694244_100010272851 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.48 C=C(C)c1ccc(c(c1)Br)C#N 271570a_100000694244_100012349582 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.48 C=C(C)c1ccc(c(c1)Br)C=O 271570a_100000694244_100010185650 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,1,0,0,0,0|1,0,0]=2 931 B12R1.48 C=C(C)c1ccc(c(c1)C)C#N 271570a_100000694244_100000687762 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.48 C=C(C)c1ccc(c(c1)C)C=O 271570a_100000694244_100000687586 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.48 C=C(C)c1ccc(c(c1)C)CF 271570a_100000694244_200010711859 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.48 C=C(C)c1ccc(c(c1)C)CN 271570a_100000694244_100000753881 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.48 C=C(C)c1ccc(c(c1)C)NN 271570a_100000694244_100000751375 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,1,0,0,0,0|1,0,0]=2 939 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C#N 271570a_100000694244_100012349662 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C=O 271570a_100000694244_100000727542 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,1,0,0,0,0|1,0,0]=2 942 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [0,1,0,0,0,0|1,1,0]=3 943 B12R1.48 C=C(C)c1ccc(c(c1)F)C#N 271570a_100000694244_100000037869 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.48 C=C(C)c1ccc(c(c1)F)C=O 271570a_100000694244_100000211676 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,1,0,0,0,0|2,0,0]=3 946 B12R1.48 C=C(C)c1ccc(c(c1)F)CN 271570a_100000694244_100000754580 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [0,1,0,0,0,0|2,0,0]=3 949 B12R1.48 C=C(C)c1ccc(c(c1)F)NN 271570a_100000694244_100000751572 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,1,0,0,0,0|1,0,0]=2 951 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [0,1,0,0,0,0|1,1,0]=3 952 B12R1.48 C=C(C)c1ccc(c(c1)N)C#N 271570a_100000694244_100000699244 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.48 C=C(C)c1ccc(c(c1)N)C=O 271570a_100000694244_100009814810 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [0,1,0,0,0,0|2,0,0]=3 957 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,1,0,0,0,0|1,0,0]=2 958 B12R1.48 C=C(C)c1ccc(c(c1)O)C#N 271570a_100000694244_100011934713 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,0,0|1,0,0]=2 962 B12R1.48 C=C(C)c1ccc(c(n1)Br)OC 271570a_100000694244_100010214827 [0,1,0,0,0,0|2,0,0]=3 963 B12R1.48 C=C(C)c1ccc(c(n1)C)OC 271570a_100000694244_100010244750 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.48 C=C(C)c1ccc(c(n1)Cl)OC 271570a_100000694244_100010233546 [0,1,0,0,0,0|2,0,0]=3 965 B12R1.48 C=C(C)c1ccc(c(n1)F)OC 271570a_100000694244_100010138636 [0,1,0,0,0,0|2,0,0]=3 966 B12R1.48 C=C(C)c1ccc(c(n1)N)OC 271570a_100000694244_100010192976 [0,1,0,0,0,0|2,0,0]=3 967 B12R1.48 C=C(C)c1cnc(c(c1)Br)OC 271570a_100000694244_200010988584 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.48 C=C(C)c1cnc(c(c1)C)NC 271570a_100000694244_100012357622 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.48 C=C(C)c1cnc(c(c1)C)OC 271570a_100000694244_100011290809 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.48 C=C(C)c1cnc(c(c1)F)OC 271570a_100000694244_100011880707 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.48 C=C(C)c1cnc(c(c1)N)NC 271570a_100000694244_100011432983 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.48 C=C(C)c1cnc(c(c1)N)OC 271570a_100000694244_100000748608 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [0,1,0,0,0,0|2,0,0]=3 974 B12R1.48 C=C(C)c1ncc(c(n1)C)OC 271570a_100000694244_100010382893 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.48 C=C(C)c1ncc(c(n1)N)OC 271570a_100000694244_100009886850 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,0,0|1,0,1]=3 977 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,1,0,0,0,0|2,0,1]=4 978 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,0,0|1,0,1]=3 979 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,1,0,0,0,0|2,0,1]=4 980 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,0,0|1,0,1]=3 981 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,1,0,0,0,0|2,0,1]=4 982 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,0,0|1,0,1]=3 983 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|2,0,1]=4 984 B12R1.48 C=Cc1cnc(cc1C)C(=O)C 271570a_100011290941_100011011822 [0,1,0,0,0,0|2,0,1]=4 985 B12R1.48 C=Cc1ncc(cc1C)C(=O)C 271570a_100011290941_100009864263 [0,1,0,0,0,0|2,0,1]=4 986 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [0,1,0,0,0,0|1,1,0]=3 987 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [0,1,0,0,0,0|1,1,0]=3 988 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,1,0,0,0,0|2,0,0]=3 989 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,0,0|0,0,0]=1 990 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,0,0|0,0,0]=1 991 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,0,0,0,0|0,1,0]=2 992 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,0,0,0,0|0,1,0]=2 993 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,0,0|0,0,0]=1 995 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,0,0|0,0,0]=1 996 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,0,0,0,0|0,1,0]=2 997 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,0,0,0,0|0,1,0]=2 998 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,1,0,0,0,0|2,0,0]=3 999 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,0,0|0,0,0]=1 1000 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,0,0|0,0,0]=1 1001 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|2,0,0]=3 1003 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,0,0|0,0,0]=1 1004 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,0,0|0,0,0]=1 1005 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,0,0,0,0|0,1,0]=2 1006 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,0,0,0,0|0,1,0]=2 1007 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,0,0|0,0,0]=1 1008 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,0,0|0,0,0]=1 1009 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,0,0,0,0|0,1,0]=2 1010 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [0,1,0,0,0,0|1,1,0]=3 1011 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [0,1,0,0,0,0|1,1,0]=3 1012 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 2230a_100011218581_200025704644 [0,1,0,0,0,0|2,0,1]=4 1013 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 34a_100011218581_200025704644 [0,1,0,0,0,0|2,0,1]=4 1014 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 7a_100011218581_200025704644 [0,1,0,0,0,0|2,0,1]=4 1015 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200010212211_200025704644 [0,1,0,0,0,0|1,1,1]=4 1016 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200010212211 [0,1,0,0,0,0|1,1,1]=4 1017 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [0,1,0,0,0,0|1,0,1]=3 1018 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [0,1,0,0,0,0|1,0,1]=3 1019 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 34a_100012355998_200025704644 [0,1,0,0,0,0|2,0,1]=4 1020 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 7a_100012355998_200025704644 [0,1,0,0,0,0|2,0,1]=4 1021 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [0,1,0,0,0,0|1,0,1]=3 1022 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [0,1,0,0,0,0|1,0,1]=3 1023 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,0,0|1,0,0]=2 1024 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,0,0|1,0,0]=2 1025 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|1,0,0]=2 1026 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|1,0,0]=2 1027 B12R1.48 CN(C)c1ccc(c(c1)Br)N[13CH3] 34a_200013039233_200025704644 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.48 CNc1ccc(cc1Br)C(C)C 2230a_100011218581_200000210301 [0,1,0,0,0,0|2,0,1]=4 1030 B12R1.48 CNc1ccc(cc1Br)C(C)C 34a_100011218581_200000210301 [0,1,0,0,0,0|2,0,1]=4 1031 B12R1.48 CNc1ccc(cc1Br)C(C)C 7a_100011218581_200000210301 [0,1,0,0,0,0|2,0,1]=4 1032 B12R1.48 CNc1ccc(cc1Br)N(C)C 34a_200013039233_200000210301 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.48 CNc1ccc(cc1C)N(C)C 34a_100000246174_200000210301 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200000210301 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.48 CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.48 CNc1ccc(cc1I)C(C)C 34a_100012355998_200000210301 [0,1,0,0,0,0|2,0,1]=4 1044 B12R1.48 CNc1ccc(cc1I)C(C)C 7a_100012355998_200000210301 [0,1,0,0,0,0|2,0,1]=4 1045 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,0,0|0,0,0]=1 1047 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,0,0|0,0,0]=1 1048 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,0,0|0,0,0]=1 1049 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,0,0|0,0,0]=1 1050 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,1,0,0,0,0|2,0,0]=3 1051 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,1,0,0,0,0|2,0,0]=3 1052 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,0,0|0,0,0]=1 1053 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,0,0|0,0,0]=1 1054 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,0,0|0,0,0]=1 1055 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,0,0|0,0,0]=1 1056 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [0,1,0,0,0,0|1,0,1]=3 1057 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [0,1,0,0,0,0|1,0,1]=3 1058 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1059 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1060 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,0,0|0,0,0]=1 1061 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,0,0|0,0,0]=1 1062 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,0,0|0,0,0]=1 1063 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,0,0|1,0,0]=2 1064 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,0,0|1,0,0]=2 1065 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,0,0|0,0,0]=1 1066 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [0,1,0,0,0,0|1,0,1]=3 1067 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [0,1,0,0,0,0|1,0,1]=3 1068 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,0,0|0,0,0]=1 1071 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,0,0|0,0,0]=1 1072 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,0,0|0,0,0]=1 1073 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,0,0|0,0,0]=1 1074 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,1,0,0,0,0|2,0,0]=3 1076 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,0,0|0,0,0]=1 1077 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,0,0|0,0,0]=1 1078 B12R1.48 COc1ccc(cc1I)N(C)C 269982a_114948341033_200000210301 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.48 COc1ccc(cc1I)N(C)C 34a_114948341033_200000210301 [0,1,0,0,0,0|2,0,0]=3 1080 B12R1.48 COc1ccc(cc1I)N(C)C 38a_114948341033_200000210301 [0,1,0,0,0,0|2,0,0]=3 1081 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 269982a_114948341033_200025704644 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 34a_114948341033_200025704644 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 38a_114948341033_200025704644 [0,1,0,0,0,0|2,0,0]=3 1084 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,1,0,0,0,0|2,0,0]=3 1085 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,1,0,0,0,0|2,0,0]=3 1086 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,0,0|0,0,0]=1 1087 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,0,0|0,0,0]=1 1088 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [0,1,0,0,0,0|1,0,1]=3 1089 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [0,1,0,0,0,0|1,0,1]=3 1090 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,1,0,0,0,0|2,0,0]=3 1091 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|2,0,0]=3 1092 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|0,0,0]=1 1093 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|0,0,0]=1 1094 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|0,0,0]=1 1095 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,0,0|0,0,2]=3 1096 B12R1.48 COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_200000210301 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.48 COc1ccc(nc1F)N(C)C 27a_100102631434_100010138636 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.48 COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_200000210301 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.48 COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200000210301 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,0,0,0,0|0,1,0]=2 1101 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,0,0,0,0|0,1,0]=2 1102 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,0,0,0,0|1,1,0]=3 1103 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,0,0,0,0|1,1,0]=3 1104 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200000210301_200010212211 [0,1,0,0,0,0|1,1,1]=4 1105 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200010212211_200000210301 [0,1,0,0,0,0|1,1,1]=4 1106 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,0,0,0,0|0,1,0]=2 1107 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,0,0,0,0|0,1,0]=2 1108 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,0,0,0,0|1,1,0]=3 1109 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,0,0,0,0|1,1,0]=3 1110 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_100011934168_200000210301 [0,1,0,0,0,0|2,1,0]=4 1111 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_200000210301_100011934168 [0,1,0,0,0,0|2,1,0]=4 1112 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,0,0,0,0|0,1,0]=2 1113 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,0,0,0,0|0,1,0]=2 1114 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,0,0,0,0|1,1,0]=3 1115 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,0,0,0,0|1,1,0]=3 1116 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_100134618348_200000210301 [0,1,0,0,0,0|1,1,1]=4 1117 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_200000210301_100134618348 [0,1,0,0,0,0|1,1,1]=4 1118 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,0,0,0,0|0,1,0]=2 1119 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,0,0|1,1,0]=3 1120 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,0,0|1,1,0]=3 1121 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [0,1,0,0,0,0|1,1,0]=3 1122 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [0,1,0,0,0,0|1,1,0]=3 1123 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [0,1,0,0,0,0|1,1,0]=3 1124 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [0,1,0,0,0,0|1,1,0]=3 1125 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_100134618348_200025704644 [0,1,0,0,0,0|1,1,1]=4 1126 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100134618348 [0,1,0,0,0,0|1,1,1]=4 1127 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,1,0,0,0,0|2,0,0]=3 1128 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,0,0,0,0|2,0,0]=3 1129 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.48 Cc1cc(ccc1N[13CH3])N(C)C 34a_100000246174_200025704644 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [0,1,0,0,0,0|1,0,1]=3 1135 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [0,1,0,0,0,0|1,0,1]=3 1136 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1137 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1138 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,0,0,0,0|1,1,0]=3 1139 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,0,0,0,0|1,1,0]=3 1140 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_100011934168_200025704644 [0,1,0,0,0,0|2,1,0]=4 1141 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_200025704644_100011934168 [0,1,0,0,0,0|2,1,0]=4 1142 B12R1.48 Cc1cc(ncc1O[13CH3])[N+](=O)[O-] 7a_100015695027_200025704644 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.48 Cc1nc(ccc1O[13CH3])[N+](=O)[O-] 7a_100009862445_200025704644 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1146 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.48 [13CH3]Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200025704644 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.48 [13CH3]Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,0,0|1,0,0]=2 1153 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,0,0|1,0,0]=2 1154 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,1,0,0,0,0|2,0,0]=3 1161 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.48 [13CH3]Oc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200025704644 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,0,0,0,0|1,1,0]=3 1164 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,0,0,0,0|1,1,0]=3 1165 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,0,0,0,0|1,1,0]=3 1166 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,0,0,0,0|1,1,0]=3 1167 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,0,0|1,1,0]=3 1168 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,0,0|1,1,0]=3 1169 B12R1.113 C=C(C)c1ccc(cc1)/C=C/Br 271570a_100000694244_200016255901 [0,1,0,0,0,0|2,0,1]=4 1170 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,1,0,0,0,0|2,0,1]=4 1173 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|1,0,0]=2 1181 B12R1.113 C=C(C)c1ccc(cc1)N=[N+]=[N-] 271570a_100000694244_100000735661 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.113 C=C(C)c1ccc(cc1)NC#N 271570a_100000694244_100011685341 [0,1,0,0,0,0|2,0,1]=4 1183 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [0,1,0,0,0,0|2,0,0]=3 1184 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,1,0,0,0,0|1,0,0]=2 1185 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,1,0,0,0,0|1,0,0]=2 1186 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,1,0,0,0,0|1,0,0]=2 1187 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,1,0,0,0,0|1,0,0]=2 1188 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,1,0,0,0,0|1,0,0]=2 1189 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [0,1,0,0,0,0|1,1,0]=3 1190 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [0,1,0,0,0,0|1,1,0]=3 1191 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [0,1,0,0,0,0|1,1,0]=3 1192 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [0,1,0,0,0,0|1,1,0]=3 1193 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [0,1,0,0,0,0|1,1,0]=3 1194 B12R1.113 C=C(C)c1ccc(cn1)CCO 271570a_100000694244_100009880866 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.113 C=C(C)c1ccc(cn1)CNC 271570a_100000694244_100000026953 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.113 C=C(C)c1ccc(cn1)CSC 271570a_100000694244_100000753673 [0,1,0,0,0,0|2,1,0]=4 1197 B12R1.113 C=C(C)c1ccc(cn1)OCC 271570a_100000694244_100000753957 [0,1,0,0,0,0|2,0,0]=3 1198 B12R1.113 C=C(C)c1ccc(nc1)CCO 271570a_100000694244_100012357577 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.113 C=C(C)c1ccc(nc1)NCC 271570a_100000694244_100000741496 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.113 C=C(C)c1ccc(nc1)OCC 271570a_100000694244_100011219444 [0,1,0,0,0,0|2,0,0]=3 1201 B12R1.113 C=C(C)c1ccc(nc1)SCC 271570a_100000694244_100000690189 [0,1,0,0,0,0|2,1,0]=4 1202 B12R1.113 C=C(C)c1ccc(nn1)OCC 271570a_100000694244_100000757289 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.113 C=C(C)c1cnc(cn1)OCC 271570a_100000694244_200012356188 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.113 C=C(C)c1cnc(nc1)OCC 271570a_100000694244_100011934766 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.113 C=C(C)c1ncc(cn1)OCC 271570a_100000694244_100000099823 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.113 C=C=Cc1ccc(cc1)C(=C)C 271570a_100015277604_100000185454 [0,1,0,0,0,0|2,0,1]=4 1207 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,1,0,0,0,0|1,0,1]=3 1208 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [0,1,0,0,0,0|2,0,1]=4 1209 B12R1.113 C=C=Cc1ccc(cc1)S(=O)C 271570a_100015277604_100009816266 [0,1,0,0,0,0|2,0,1]=4 1210 B12R1.113 C=C=Cc1ccc(cn1)C(=O)C 271570a_100015277604_100000684857 [0,1,0,0,0,0|2,0,1]=4 1211 B12R1.113 C=C=Cc1ccc(nc1)C(=O)C 271570a_100015277604_100000686046 [0,1,0,0,0,0|2,0,1]=4 1212 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,1,0,0,0,0|1,0,0]=2 1213 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,1,0,0,0,0|1,0,0]=2 1214 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|1,0,1]=3 1215 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|1,0,0]=2 1216 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|0,0,0]=1 1217 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|0,1,0]=2 1218 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|0,1,0]=2 1219 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [0,1,0,0,0,0|2,0,0]=3 1220 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,0,0,0,0|0,0,0]=1 1221 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,0,0,0,0|0,0,0]=1 1222 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,0,0,0,0|0,1,0]=2 1223 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,0,0,0,0|0,1,0]=2 1224 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [0,1,0,0,0,0|1,0,0]=2 1225 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [0,1,0,0,0,0|1,0,0]=2 1226 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100000686046_100015361967 [0,1,0,0,0,0|1,1,0]=3 1227 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100015361967_100000686046 [0,1,0,0,0,0|1,1,0]=3 1228 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100000684857_100015361967 [0,1,0,0,0,0|1,1,0]=3 1229 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100015361967_100000684857 [0,1,0,0,0,0|1,1,0]=3 1230 B12R1.113 CC(=O)c1cnc(cn1)SCF 62a_100009883172_100015361967 [0,1,0,0,0,0|2,1,0]=4 1231 B12R1.113 CC(=O)c1cnc(cn1)SCF 62a_100015361967_100009883172 [0,1,0,0,0,0|2,1,0]=4 1232 B12R1.113 CC(=O)c1cnc(nc1)SCF 62a_100000099681_100015361967 [0,1,0,0,0,0|2,1,0]=4 1233 B12R1.113 CC(=O)c1cnc(nc1)SCF 62a_100015361967_100000099681 [0,1,0,0,0,0|2,1,0]=4 1234 B12R1.113 CC(=O)c1ncc(cn1)SCF 62a_100010077182_100015361967 [0,1,0,0,0,0|2,1,0]=4 1235 B12R1.113 CC(=O)c1ncc(cn1)SCF 62a_100015361967_100010077182 [0,1,0,0,0,0|2,1,0]=4 1236 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,1,0,0,0,0|2,0,1]=4 1237 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,1,0,0,0,0|2,0,1]=4 1238 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,1,0,0,0,0|1,0,1]=3 1239 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,1,0,0,0,0|1,0,1]=3 1240 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [0,1,0,0,0,0|1,1,1]=4 1241 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [0,1,0,0,0,0|1,1,1]=4 1242 B12R1.113 CC(C)c1ccc(cc1)NCF 34a_100000210773_100015361967 [0,1,0,0,0,0|2,0,1]=4 1243 B12R1.113 CC(C)c1ccc(cc1)NCF 7a_100000210773_100015361967 [0,1,0,0,0,0|2,0,1]=4 1244 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [0,1,0,0,0,0|1,0,1]=3 1245 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [0,1,0,0,0,0|1,0,1]=3 1246 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100000750031_100015361967 [0,1,0,0,0,0|1,1,1]=4 1247 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100015361967_100000750031 [0,1,0,0,0,0|1,1,1]=4 1248 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,1,0,0,0,0|1,0,2]=4 1249 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,1,0,0,0,0|1,0,2]=4 1250 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [0,1,0,0,0,0|1,0,2]=4 1251 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,1,0,0,0,0|0,0,2]=3 1252 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,1,0,0,0,0|0,0,2]=3 1253 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [0,1,0,0,0,0|0,1,2]=4 1254 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [0,1,0,0,0,0|0,1,2]=4 1255 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,1,0,0,0,0|1,0,0]=2 1256 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [0,1,0,0,0,0|2,0,0]=3 1257 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [0,1,0,0,0,0|2,0,1]=4 1258 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,1,0,0,0,0|1,0,2]=4 1259 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [0,1,0,0,0,0|2,0,0]=3 1261 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [0,1,0,0,0,0|2,0,1]=4 1262 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [0,1,0,0,0,0|2,0,1]=4 1263 B12R1.113 CC=Cc1ccc(cn1)C(=O)C 271570a_100016259895_100000684857 [0,1,0,0,0,0|2,0,0]=3 1264 B12R1.113 CC=Cc1ccc(cn1)C(=O)N 271570a_100016259895_100000162237 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.113 CC=Cc1ccc(nc1)C(=O)C 271570a_100016259895_100000686046 [0,1,0,0,0,0|2,0,0]=3 1266 B12R1.113 CC=Cc1ccc(nc1)C(=O)N 271570a_100016259895_100011219284 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.113 CC=Cc1cnc(cn1)C(=O)C 271570a_100016259895_100009883172 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.113 CC=Cc1cnc(nc1)C(=O)C 271570a_100016259895_100010077182 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.113 CC=Cc1ncc(cn1)C(=O)C 271570a_100016259895_100000099681 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|1,0,0]=2 1271 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|1,0,0]=2 1272 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,1,0,0,0,0|2,0,0]=3 1274 B12R1.113 CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210202 [0,1,0,0,0,0|2,0,1]=4 1275 B12R1.113 CCNc1ccc(cc1)C(C)C 34a_100000210773_100000210202 [0,1,0,0,0,0|2,0,1]=4 1276 B12R1.113 CCNc1ccc(cc1)C(C)C 7a_100000210773_100000210202 [0,1,0,0,0,0|2,0,1]=4 1277 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [0,1,0,0,0,0|1,0,2]=4 1278 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [0,1,0,0,0,0|1,0,2]=4 1279 B12R1.113 CCNc1ccc(cc1)N(C)C 34a_100016997997_100000210202 [0,1,0,0,0,0|3,0,0]=4 1280 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.113 CCNc1ccc(cn1)C(=O)N 27a_100015525214_100000162237 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.113 CCNc1cnc(cn1)C(=O)C 27a_100015525214_100009883172 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.113 CCNc1ncc(cn1)C(=O)C 27a_100015525214_100000099681 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,0,0,0,0|0,0,0]=1 1287 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,0,0,0,0|0,0,0]=1 1288 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,0,0,0,0|0,0,0]=1 1289 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,1,0,0,0,0|1,0,0]=2 1290 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,1,0,0,0,0|1,0,0]=2 1291 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,0,0,0,0|0,0,0]=1 1292 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [0,1,0,0,0,0|1,0,1]=3 1293 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [0,1,0,0,0,0|1,0,1]=3 1294 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,1,0,0,0,0|0,0,2]=3 1295 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,1,0,0,0,0|0,0,2]=3 1296 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 1298 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [0,1,0,0,0,0|2,0,0]=3 1299 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [0,1,0,0,0,0|2,0,0]=3 1303 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,1,0,0,0,0|1,0,0]=2 1304 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,1,0,0,0,0|1,0,0]=2 1305 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [0,1,0,0,0,0|1,0,1]=3 1306 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,1,0,0,0,0|2,0,0]=3 1307 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,1,0,0,0,0|2,0,0]=3 1308 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [0,1,0,0,0,0|2,0,0]=3 1309 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [0,1,0,0,0,0|2,0,0]=3 1310 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,1,0,0,0,0|1,0,0]=2 1311 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,1,0,0,0,0|1,0,0]=2 1312 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210202 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,0,0,0,0|0,1,0]=2 1314 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,0,0,0,0|0,1,0]=2 1315 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,0,0,0,0|0,1,0]=2 1316 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,1,0,0,0,0|1,1,0]=3 1317 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,1,0,0,0,0|1,1,0]=3 1318 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,0,0,0,0|0,1,0]=2 1319 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000210202_100000750031 [0,1,0,0,0,0|1,1,1]=4 1320 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210202 [0,1,0,0,0,0|1,1,1]=4 1321 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [0,1,0,0,0,0|0,1,2]=4 1322 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [0,1,0,0,0,0|0,1,2]=4 1323 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210202_100000210421 [0,1,0,0,0,0|2,1,0]=4 1324 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210202 [0,1,0,0,0,0|2,1,0]=4 1325 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [0,1,0,0,0,0|1,1,0]=3 1326 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000210202_100000720352 [0,1,0,0,0,0|1,1,1]=4 1327 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210202 [0,1,0,0,0,0|1,1,1]=4 1328 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000210202_100000753911 [0,1,0,0,0,0|1,1,1]=4 1329 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210202 [0,1,0,0,0,0|1,1,1]=4 1330 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [0,1,0,0,0,0|1,1,0]=3 1331 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [0,1,0,0,0,0|1,1,0]=3 1332 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000162237_100000210202 [0,1,0,0,0,0|2,1,0]=4 1333 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000210202_100000162237 [0,1,0,0,0,0|2,1,0]=4 1334 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [0,1,0,0,0,0|1,1,0]=3 1335 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [0,1,0,0,0,0|1,1,0]=3 1336 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100000210202_100011219284 [0,1,0,0,0,0|2,1,0]=4 1337 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100011219284_100000210202 [0,1,0,0,0,0|2,1,0]=4 1338 B12R1.113 CCSc1cnc(cn1)C(=O)C 62a_100000210202_100009883172 [0,1,0,0,0,0|2,1,0]=4 1339 B12R1.113 CCSc1cnc(cn1)C(=O)C 62a_100009883172_100000210202 [0,1,0,0,0,0|2,1,0]=4 1340 B12R1.113 CCSc1cnc(nc1)C(=O)C 62a_100000210202_100010077182 [0,1,0,0,0,0|2,1,0]=4 1341 B12R1.113 CCSc1cnc(nc1)C(=O)C 62a_100010077182_100000210202 [0,1,0,0,0,0|2,1,0]=4 1342 B12R1.113 CCSc1ncc(cn1)C(=O)C 62a_100000099681_100000210202 [0,1,0,0,0,0|2,1,0]=4 1343 B12R1.113 CCSc1ncc(cn1)C(=O)C 62a_100000210202_100000099681 [0,1,0,0,0,0|2,1,0]=4 1344 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,1,0,0,0,0|2,0,0]=3 1345 B12R1.113 CN(C)c1ccc(cc1)NCF 34a_100016997997_100015361967 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.113 CN(C)c1ccc(cc1)OCF 34a_100000718910_100015361967 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100000210421_100015361967 [0,1,0,0,0,0|2,1,0]=4 1348 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100015361967_100000210421 [0,1,0,0,0,0|2,1,0]=4 1349 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|1,0,0]=2 1350 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|1,0,0]=2 1351 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|1,0,0]=2 1352 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|1,0,0]=2 1353 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,1,0,0,0,0|2,0,0]=3 1354 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,1,0,0,0,0|2,0,0]=3 1357 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,1,0,0,0,0|2,0,0]=3 1358 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,1,0,0,0,0|2,0,0]=3 1359 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,1,0,0,0,0|2,0,0]=3 1360 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,1,0,0,0,0|2,0,1]=4 1361 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,1,0,0,0,0|2,0,1]=4 1362 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,1,0,0,0,0|2,0,1]=4 1363 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,1,0,0,0,0|2,0,1]=4 1364 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,1,0,0,0,0|2,0,1]=4 1365 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,1,0,0,0,0|2,0,1]=4 1366 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,1,0,0,0,0|2,0,1]=4 1367 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,1,0,0,0,0|2,0,1]=4 1368 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,1,0,0,0,0|1,0,2]=4 1369 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,1,0,0,0,0|1,0,2]=4 1370 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,1,0,0,0,0|1,0,2]=4 1371 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,1,0,0,0,0|2,0,0]=3 1374 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,1,0,0,0,0|2,0,1]=4 1385 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|0,0,0]=1 1386 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|0,0,0]=1 1387 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|0,0,0]=1 1388 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,1,0,0,0,0|1,0,0]=2 1389 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,1,0,0,0,0|1,0,0]=2 1390 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,1,0,0,0,0|1,0,0]=2 1391 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|0,0,0]=1 1392 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,1,0,0,0,0|1,0,1]=3 1393 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,1,0,0,0,0|1,0,1]=3 1394 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,1,0,0,0,0|1,0,1]=3 1395 B12R1.113 COCc1ccc(cc1)C(F)F 34a_100138415774_200012343607 [0,1,0,0,0,0|2,0,1]=4 1396 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,1,0,0,0,0|2,0,0]=3 1397 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,1,0,0,0,0|2,0,0]=3 1398 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,1,0,0,0,0|2,0,0]=3 1399 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,1,0,0,0,0|1,0,0]=2 1400 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,1,0,0,0,0|1,0,0]=2 1401 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [0,1,0,0,0,0|1,1,0]=3 1402 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|0,1,0]=2 1403 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|0,1,0]=2 1404 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|0,1,0]=2 1405 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,1,0,0,0,0|1,1,0]=3 1406 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,1,0,0,0,0|1,1,0]=3 1407 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|0,1,0]=2 1408 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [0,1,0,0,0,0|1,1,1]=4 1409 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [0,1,0,0,0,0|1,1,1]=4 1410 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,1,0,0,0,0|2,1,0]=4 1411 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100000720352_100015361967 [0,1,0,0,0,0|1,1,1]=4 1412 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100015361967_100000720352 [0,1,0,0,0,0|1,1,1]=4 1413 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [0,1,0,0,0,0|1,0,1]=3 1414 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100000753911_100015361967 [0,1,0,0,0,0|1,1,1]=4 1415 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100000753911 [0,1,0,0,0,0|1,1,1]=4 1416 B12R1.113 C[S+](C)c1ccc(cc1)OCF 34a_100010188728_100015361967 [0,1,0,0,0,0|2,0,0]=3 1417 B12R1.113 C[S+](C)c1ccc(cc1)OCF 7a_100010188728_100015361967 [0,1,0,0,0,0|2,0,0]=3 1418 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,1,0,0,0,0|2,0,0]=3 1419 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,1,0,0,0,0|1,0,0]=2 1420 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,1,0,0,0,0|1,0,0]=2 1421 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,1,0,0,0,0|1,1,0]=3 1422 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,1,0,0,0,0|1,1,0]=3 1423 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100011219284_100015361967 [0,1,0,0,0,0|2,1,0]=4 1424 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100015361967_100011219284 [0,1,0,0,0,0|2,1,0]=4 1425 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100000162237_100015361967 [0,1,0,0,0,0|2,1,0]=4 1426 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100015361967_100000162237 [0,1,0,0,0,0|2,1,0]=4 1427 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [0,1,0,0,0,0|3,0,0]=4 1428 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,1,0,0,0,0|2,0,0]=3 1430 B12R1.113 O=[N+]([O-])c1ccc(cn1)OCF 7a_100000060138_100015361967 [0,1,0,0,0,0|3,0,0]=4 1431 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|1,0,1]=3 1432 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|1,0,0]=2 1433 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [0,1,0,0,0,0|2,0,0]=3 1434 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,1,0,0,0,0|2,0,0]=3 1435 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,1,0,0,0,0|3,0,0]=4 1436 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,1,0,0,0,0|3,0,0]=4 1437 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [0,1,0,0,0,0|3,0,0]=4 1438 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,1,0,0,0,0|1,0,0]=2 1439 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,1,0,0,0,0|1,0,0]=2 1440 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,1,0,0,0,0|2,0,0]=3 1441 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,1,0,0,0,0|1,1,0]=3 1442 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,1,0,0,0,0|1,1,0]=3 1443 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,1,0,0,0,0|2,1,0]=4 1444 B12R1.256 C=C(C)c1ccc(cc1)B(O)O 271570a_100000694244_100000754493 [0,1,0,0,0,0|3,0,0]=4 1445 B12R1.256 C=C(C)c1ccc(cc1)C(=C)C 271570a_100000694244_100000185454 [0,1,0,0,0,0|2,0,0]=3 1446 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,1,0,0,0,0|1,0,0]=2 1447 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,1,0,0,0,0|1,0,0]=2 1448 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,1,0,0,0,0|2,0,0]=3 1449 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,1,0,0,0,0|1,0,0]=2 1450 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,1,0,0,0,0|2,0,0]=3 1451 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,1,0,0,0,0|2,0,0]=3 1452 B12R1.256 C=C(C)c1ccc(cc1)C(F)F 271570a_100000694244_100010189923 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [0,1,0,0,0,0|2,0,0]=3 1454 B12R1.256 C=C(C)c1ccc(cc1)S(=O)C 271570a_100000694244_100009816266 [0,1,0,0,0,0|1,1,0]=3 1455 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,1,0,0,0,0|2,0,0]=3 1456 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,1,0,0,0,0|2,0,0]=3 1457 B12R1.256 C=C(C)c1ccc(cn1)C(=O)C 271570a_100000694244_100000684857 [0,1,0,0,0,0|2,0,0]=3 1458 B12R1.256 C=C(C)c1ccc(cn1)C(=O)N 271570a_100000694244_100000162237 [0,1,0,0,0,0|3,0,0]=4 1459 B12R1.256 C=C(C)c1ccc(cn1)C(C)C 271570a_100000694244_200009815286 [0,1,0,0,0,0|3,0,0]=4 1460 B12R1.256 C=C(C)c1ccc(cn1)C(C)O 271570a_100000694244_200010274204 [0,1,0,0,0,0|3,0,0]=4 1461 B12R1.256 C=C(C)c1ccc(cn1)N(C)C 271570a_100000694244_100009992925 [0,1,0,0,0,0|3,0,0]=4 1462 B12R1.256 C=C(C)c1ccc(cn1)[C@H](C)N 271570a_100000694244_100015387476 [0,1,0,0,0,0|3,0,0]=4 1463 B12R1.256 C=C(C)c1ccc(nc1)C(=O)C 271570a_100000694244_100000686046 [0,1,0,0,0,0|2,0,0]=3 1464 B12R1.256 C=C(C)c1ccc(nc1)C(=O)N 271570a_100000694244_100011219284 [0,1,0,0,0,0|3,0,0]=4 1465 B12R1.256 C=C(C)c1ccc(nc1)C(C)C 271570a_100000694244_100010255768 [0,1,0,0,0,0|3,0,0]=4 1466 B12R1.256 C=C(C)c1ccc(nc1)C(C)N 271570a_100000694244_100000723930 [0,1,0,0,0,0|3,0,0]=4 1467 B12R1.256 C=C(C)c1ccc(nc1)C(C)O 271570a_100000694244_100012353650 [0,1,0,0,0,0|3,0,0]=4 1468 B12R1.256 C=C(C)c1ccc(nc1)N(C)C 271570a_100000694244_100011465347 [0,1,0,0,0,0|3,0,0]=4 1469 B12R1.256 C=C(C)c1cnc(cn1)C(=O)C 271570a_100000694244_100009883172 [0,1,0,0,0,0|3,0,0]=4 1470 B12R1.256 C=C(C)c1cnc(nc1)C(=O)C 271570a_100000694244_100010077182 [0,1,0,0,0,0|3,0,0]=4 1471 B12R1.256 C=C(C)c1ncc(cn1)C(=O)C 271570a_100000694244_100000099681 [0,1,0,0,0,0|3,0,0]=4 1472 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,1,0,0,0,0|2,0,0]=3 1473 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,1,0,0,0,0|1,0,0]=2 1474 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,1,0,0,0,0|1,0,0]=2 1475 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,1,0,0,0,0|2,0,0]=3 1476 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,1,0,0,0,0|1,0,0]=2 1477 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,1,0,0,0,0|0,1,0]=2 1478 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,1,0,0,0,0|2,0,0]=3 1479 B12R1.256 CC(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200000210301 [0,1,0,0,0,0|3,0,0]=4 1480 B12R1.256 CC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000690552 [0,1,0,0,0,0|2,0,0]=3 1481 B12R1.256 CC(=O)c1cnc(cn1)N(C)C 27a_100102631434_100009883172 [0,1,0,0,0,0|3,0,0]=4 1482 B12R1.256 CC(=O)c1cnc(nc1)N(C)C 27a_100102631434_100000099681 [0,1,0,0,0,0|3,0,0]=4 1483 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,1,0,0,0,0|1,0,0]=2 1484 B12R1.256 CC(C)c1ccc(cc1)N(C)C 2230a_100000688768_200000210301 [0,1,0,0,0,0|2,0,1]=4 1485 B12R1.256 CC(C)c1ccc(cc1)N(C)C 269982a_100000688768_200000210301 [0,1,0,0,0,0|2,0,1]=4 1486 B12R1.256 CC(C)c1ccc(cc1)N(C)C 34a_100000688768_200000210301 [0,1,0,0,0,0|2,0,1]=4 1487 B12R1.256 CC(C)c1ccc(cc1)N(C)C 38a_100000688768_200000210301 [0,1,0,0,0,0|2,0,1]=4 1488 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 2230a_100000688768_200025704644 [0,1,0,0,0,0|2,0,1]=4 1489 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 269982a_100000688768_200025704644 [0,1,0,0,0,0|2,0,1]=4 1490 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 34a_100000688768_200025704644 [0,1,0,0,0,0|2,0,1]=4 1491 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 38a_100000688768_200025704644 [0,1,0,0,0,0|2,0,1]=4 1492 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,1,0,0,0,0|1,0,0]=2 1493 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,1,0,0,0,0|2,0,0]=3 1494 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,1,0,0,0,0|1,0,0]=2 1495 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000210301 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200000210301 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000210301 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.256 CN(C)c1ccc(cn1)C(=O)N 27a_100102631434_100000162237 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200025704644 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200025704644 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200025704644 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,1,0,0,0,0|0,1,0]=2 1503 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,1,0,0,0,0|2,0,0]=3 1506 B12R1.256 [13CH3]C(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200025704644 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,0,0|1,0,1]=3 1508 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,0,0|1,0,1]=3 1509 B12R1.452 C=C(C)c1ccc(cc1Br)C#N 271570a_100000694244_100012356348 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,1,0,0,0,0|2,0,0]=3 1511 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,1,0,0,0,0|1,0,0]=2 1512 B12R1.452 C=C(C)c1ccc(cc1C)C#N 271570a_100000694244_100000212329 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,0,0|2,0,0]=3 1517 B12R1.452 C=C(C)c1ccc(cc1C)NN 271570a_100000694244_100000745493 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,1,0,0,0,0|1,0,0]=2 1519 B12R1.452 C=C(C)c1ccc(cc1Cl)C#N 271570a_100000694244_100012349663 [0,1,0,0,0,0|3,0,0]=4 1520 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.452 C=C(C)c1ccc(cc1F)C#N 271570a_100000694244_100011794375 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.452 C=C(C)c1ccc(cc1F)C=O 271570a_100000694244_100000686674 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,1,0,0,0,0|2,0,0]=3 1524 B12R1.452 C=C(C)c1ccc(cc1F)CN 271570a_100000694244_100000755036 [0,1,0,0,0,0|3,0,0]=4 1525 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,1,0,0,0,0|3,0,0]=4 1526 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [0,1,0,0,0,0|2,0,0]=3 1527 B12R1.452 C=C(C)c1ccc(cc1F)NN 271570a_100000694244_100016992936 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,1,0,0,0,0|1,0,0]=2 1529 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [0,1,0,0,0,0|1,1,0]=3 1530 B12R1.452 C=C(C)c1ccc(cc1N)C#N 271570a_100000694244_100012001879 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,1,0,0,0,0|1,0,0]=2 1533 B12R1.452 C=C(C)c1ccc(cc1O)C#N 271570a_100000694244_100000724445 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,1,0,0,0,0|1,0,0]=2 1537 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,0,0|2,0,0]=3 1538 B12R1.452 C=C(C)c1ccc(nc1F)OC 271570a_100000694244_100010067559 [0,1,0,0,0,0|2,0,0]=3 1539 B12R1.452 C=C(C)c1ccc(nc1N)OC 271570a_100000694244_100010187629 [0,1,0,0,0,0|2,0,0]=3 1540 B12R1.452 C=C(C)c1cnc(cc1C)NC 271570a_100000694244_100012352278 [0,1,0,0,0,0|3,0,0]=4 1541 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [0,1,0,0,0,0|2,0,0]=3 1542 B12R1.452 C=C(C)c1cnc(cc1F)OC 271570a_100000694244_100010136277 [0,1,0,0,0,0|2,0,0]=3 1543 B12R1.452 C=C(C)c1cnc(cc1N)OC 271570a_100000694244_100010254562 [0,1,0,0,0,0|2,0,0]=3 1544 B12R1.452 C=C(C)c1cnc(cc1O)OC 271570a_100000694244_100010738159 [0,1,0,0,0,0|2,0,0]=3 1545 B12R1.452 C=C(C)c1cnc(nc1C)OC 271570a_100000694244_100010152497 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.452 C=C(C)c1cnc(nc1N)OC 271570a_100000694244_100010218985 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,1,0,0,0,0|2,0,0]=3 1548 B12R1.452 C=C(C)c1ncc(cc1C)SC 271570a_100000694244_203440288091 [0,1,0,0,0,0|2,1,0]=4 1549 B12R1.452 C=C(C)c1ncc(cc1F)SC 271570a_100000694244_100010884644 [0,1,0,0,0,0|2,1,0]=4 1550 B12R1.452 C=C(C)c1ncc(cc1N)OC 271570a_100000694244_100010074831 [0,1,0,0,0,0|2,0,0]=3 1551 B12R1.452 C=C(C)c1ncc(nc1C)OC 271570a_100000694244_200010730098 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.452 C=C(C)c1ncc(nc1N)OC 271570a_100000694244_100009955223 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,1,0,0,0,0|2,0,1]=4 1554 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|1,0,1]=3 1555 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,1,0,0,0,0|2,0,1]=4 1556 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,0,0|1,0,1]=3 1557 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,1,0,0,0,0|2,0,1]=4 1558 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,0,0|1,0,1]=3 1559 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,1,0,0,0,0|2,0,1]=4 1560 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,0,0|1,0,1]=3 1561 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,1,0,0,0,0|2,0,1]=4 1562 B12R1.452 C=Cc1cnc(c(c1)F)C(=O)C 271570a_100011290941_100000696590 [0,1,0,0,0,0|2,0,1]=4 1563 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,0,0|2,0,0]=3 1564 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|0,0,0]=1 1565 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|0,0,0]=1 1566 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|2,0,0]=3 1567 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|0,0,0]=1 1568 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|0,0,0]=1 1569 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|0,1,0]=2 1570 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|0,1,0]=2 1571 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,0,0|2,0,0]=3 1572 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|2,0,0]=3 1573 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|0,0,0]=1 1574 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|0,0,0]=1 1575 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,0,0|2,0,0]=3 1576 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|2,0,0]=3 1577 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|0,0,0]=1 1578 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|0,0,0]=1 1579 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,0|0,1,0]=2 1580 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,0|0,1,0]=2 1581 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,1,0,0,0,0|1,1,0]=3 1582 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,1,0,0,0,0|1,1,0]=3 1583 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_100000730447_200025704644 [0,1,0,0,0,0|1,1,1]=4 1584 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000730447 [0,1,0,0,0,0|1,1,1]=4 1585 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|1,0,0]=2 1586 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|1,0,0]=2 1587 B12R1.452 CN(C)c1ccc(cc1Cl)N[13CH3] 34a_100000742791_200025704644 [0,1,0,0,0,0|3,0,0]=4 1588 B12R1.452 CN(C)c1ccc(cc1F)N[13CH3] 34a_100011248830_200025704644 [0,1,0,0,0,0|3,0,0]=4 1589 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_100000737018_200025704644 [0,1,0,0,0,0|2,1,0]=4 1590 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_200025704644_100000737018 [0,1,0,0,0,0|2,1,0]=4 1591 B12R1.452 CNc1cc(c(cn1)C(=O)N)C 27a_100102657272_200134614278 [0,1,0,0,0,0|3,0,0]=4 1592 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.452 CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200000210301 [0,1,0,0,0,0|3,0,0]=4 1594 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,0|2,0,0]=3 1595 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 1596 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 1597 B12R1.452 CNc1ccc(c(c1)C)C(C)C 2230a_100000005830_200000210301 [0,1,0,0,0,0|2,0,1]=4 1598 B12R1.452 CNc1ccc(c(c1)C)C(C)C 34a_100000005830_200000210301 [0,1,0,0,0,0|2,0,1]=4 1599 B12R1.452 CNc1ccc(c(c1)C)C(C)C 7a_100000005830_200000210301 [0,1,0,0,0,0|2,0,1]=4 1600 B12R1.452 CNc1ccc(c(c1)C)N(C)C 34a_100000738307_200000210301 [0,1,0,0,0,0|3,0,0]=4 1601 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_200000210301 [0,1,0,0,0,0|3,0,0]=4 1602 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_200000210301 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1604 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1605 B12R1.452 CNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_200000210301 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,0|1,0,0]=2 1607 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,0,0|2,0,0]=3 1608 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 1609 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 1610 B12R1.452 CNc1ccc(c(c1)F)N(C)C 34a_100011248830_200000210301 [0,1,0,0,0,0|3,0,0]=4 1611 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200000210301 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200000210301 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,0,0|2,0,0]=3 1614 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,0,0|2,0,0]=3 1615 B12R1.452 CNc1ccc(c(n1)N)C(=O)N 27a_100102657272_100009875182 [0,1,0,0,0,0|3,0,0]=4 1616 B12R1.452 CNc1cnc(c(c1)F)C(=O)N 27a_100102657272_200010161073 [0,1,0,0,0,0|3,0,0]=4 1617 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|0,0,0]=1 1618 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|0,0,0]=1 1619 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|0,0,0]=1 1620 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|0,0,0]=1 1621 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,1,0,0,0,0|2,0,0]=3 1622 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,1,0,0,0,0|2,0,0]=3 1623 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|0,0,0]=1 1624 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|0,0,0]=1 1625 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|0,0,0]=1 1626 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|0,0,0]=1 1627 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,1,0,0,0,0|1,0,1]=3 1628 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,1,0,0,0,0|1,0,1]=3 1629 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,1,0,0,0,0|2,0,0]=3 1630 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,1,0,0,0,0|2,0,0]=3 1631 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,1,0,0,0,0|2,0,0]=3 1632 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,1,0,0,0,0|2,0,0]=3 1633 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,1,0,0,0,0|2,0,0]=3 1634 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,1,0,0,0,0|2,0,0]=3 1635 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,1,0,0,0,0|2,0,0]=3 1636 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,1,0,0,0,0|2,0,0]=3 1637 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1638 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,1,0,0,0,0|2,0,0]=3 1639 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|0,0,0]=1 1640 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|0,0,0]=1 1641 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|0,0,0]=1 1642 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,0,0|1,0,0]=2 1643 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,0,0|1,0,0]=2 1644 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|0,0,0]=1 1645 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,1,0,0,0,0|2,0,0]=3 1646 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,1,0,0,0,0|2,0,0]=3 1647 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|0,0,0]=1 1648 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|0,0,0]=1 1649 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|0,0,0]=1 1650 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,0,0|1,0,0]=2 1651 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,0,0|1,0,0]=2 1652 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|0,0,0]=1 1653 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,1,0,0,0,0|2,0,0]=3 1654 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|0,0,0]=1 1655 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|0,0,0]=1 1656 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,1,0,0,0,0|2,0,0]=3 1657 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,0,0|1,0,0]=2 1658 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,0,0|1,0,0]=2 1659 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,1,0,0,0,0|2,0,0]=3 1660 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|0,0,0]=1 1661 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|0,0,0]=1 1662 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,0,0|1,0,0]=2 1663 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|0,0,0]=1 1664 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,0,0|0,0,2]=3 1665 B12R1.452 COc1ccc(c(c1)O)C(F)F 271570a_203496583355_100010189948 [0,1,0,0,0,0|2,0,1]=4 1666 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200000210301_200134614278 [0,1,0,0,0,0|2,1,0]=4 1667 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200134614278_200000210301 [0,1,0,0,0,0|2,1,0]=4 1668 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,0,0|1,1,0]=3 1669 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|0,1,0]=2 1670 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|0,1,0]=2 1671 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|0,1,0]=2 1672 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,0|1,1,0]=3 1673 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,0|1,1,0]=3 1674 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|0,1,0]=2 1675 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,0|0,1,0]=2 1676 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,0,0|1,1,0]=3 1677 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_100000730447_200000210301 [0,1,0,0,0,0|1,1,1]=4 1678 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_200000210301_100000730447 [0,1,0,0,0,0|1,1,1]=4 1679 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,0|0,1,0]=2 1680 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,0,0|1,1,0]=3 1681 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_100000737018_200000210301 [0,1,0,0,0,0|2,1,0]=4 1682 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_200000210301_100000737018 [0,1,0,0,0,0|2,1,0]=4 1683 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,0,0|1,1,0]=3 1684 B12R1.452 CSc1ccc(c(n1)N)C(=O)N 62a_100009875182_200000210301 [0,1,0,0,0,0|2,1,0]=4 1685 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,1,0,0,0,0|1,1,0]=3 1686 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,1,0,0,0,0|1,1,0]=3 1687 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200000210301_200010161073 [0,1,0,0,0,0|2,1,0]=4 1688 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200010161073_200000210301 [0,1,0,0,0,0|2,1,0]=4 1689 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_100010235749_200000210301 [0,1,0,0,0,0|2,1,0]=4 1690 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_200000210301_100010235749 [0,1,0,0,0,0|2,1,0]=4 1691 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 1692 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 1693 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,0|1,1,0]=3 1694 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,0|1,1,0]=3 1695 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|2,0,0]=3 1696 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 2230a_100000005830_200025704644 [0,1,0,0,0,0|2,0,1]=4 1697 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 34a_100000005830_200025704644 [0,1,0,0,0,0|2,0,1]=4 1698 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 7a_100000005830_200025704644 [0,1,0,0,0,0|2,0,1]=4 1699 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,1,0,0,0,0|1,0,1]=3 1700 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,1,0,0,0,0|1,0,1]=3 1701 B12R1.452 Cc1cc(ccc1N(C)C)N[13CH3] 34a_100000738307_200025704644 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_100000745639_200025704644 [0,1,0,0,0,0|3,0,0]=4 1703 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 7a_100000745639_200025704644 [0,1,0,0,0,0|3,0,0]=4 1704 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,1,0,0,0,0|2,0,0]=3 1705 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,1,0,0,0,0|2,0,0]=3 1706 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200025704644_200134614278 [0,1,0,0,0,0|2,1,0]=4 1707 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200134614278_200025704644 [0,1,0,0,0,0|2,1,0]=4 1708 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,0,0|2,0,0]=3 1709 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,0,0|2,0,0]=3 1710 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|2,0,0]=3 1711 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,0,0|2,0,0]=3 1712 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|2,0,0]=3 1713 B12R1.452 [13CH3]Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200025704644 [0,1,0,0,0,0|3,0,0]=4 1714 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1715 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1716 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 1717 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 1718 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200025704644 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200025704644 [0,1,0,0,0,0|3,0,0]=4 1720 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,0,0|2,0,0]=3 1721 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,0,0|2,0,0]=3 1722 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,1,0,0,0,0|2,0,0]=3 1723 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,1,0,0,0,0|2,0,0]=3 1724 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,0,0|1,0,0]=2 1725 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,0,0|1,0,0]=2 1726 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,1,0,0,0,0|2,0,0]=3 1727 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,1,0,0,0,0|2,0,0]=3 1728 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,0,0|1,0,0]=2 1729 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,0,0|1,0,0]=2 1730 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,1,0,0,0,0|2,0,0]=3 1731 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,1,0,0,0,0|2,0,0]=3 1732 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,0,0|1,0,0]=2 1733 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,0,0|1,0,0]=2 1734 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,1,0,0,0,0|2,0,0]=3 1735 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,0,0|1,1,0]=3 1736 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,0,0|1,1,0]=3 1737 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,0,0|1,1,0]=3 1738 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,0,0|1,1,0]=3 1739 B12R1.452 [13CH3]Sc1ccc(c(n1)N)C(=O)N 62a_100009875182_200025704644 [0,1,0,0,0,0|2,1,0]=4 1740 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200010161073_200025704644 [0,1,0,0,0,0|2,1,0]=4 1741 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200025704644_200010161073 [0,1,0,0,0,0|2,1,0]=4 1742 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_100010235749_200025704644 [0,1,0,0,0,0|2,1,0]=4 1743 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_200025704644_100010235749 [0,1,0,0,0,0|2,1,0]=4 1744 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [0,0,0,1,0,0|2,0,1]=4 1745 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [0,0,0,1,0,0|2,0,1]=4 1746 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [0,0,0,1,0,0|2,0,1]=4 1747 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,0,0,1,0,0|1,0,1]=3 1748 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,0,0,1,0,0|1,0,1]=3 1749 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,0,0,1,0,0|1,0,1]=3 1750 B12R2.9 COc1ccc(cn1)C2CC2 271570a_100011220607_100000047065 [0,0,0,1,0,0|2,0,1]=4 1751 B12R2.9 COc1ccc(nc1)C2CC2 271570a_100011220607_100000755202 [0,0,0,1,0,0|2,0,1]=4 1752 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [0,0,0,1,0,0|1,1,1]=4 1753 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [0,0,0,1,0,0|1,1,1]=4 1754 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [0,0,0,1,0,0|2,0,1]=4 1755 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,0,0,1,0,0|1,0,1]=3 1756 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,0,0,1,0,0|1,0,1]=3 1757 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [0,0,0,1,0,0|1,1,1]=4 1758 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,0,0|2,0,0]=3 1759 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|1,0,0]=2 1760 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|1,0,0]=2 1761 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,0,0,0,1,0|3,0,0]=4 1762 B10R1.31 C=C(C)c1cnc(s1)OC 271570a_100000694244_100000729428 [0,0,0,0,1,0|3,0,0]=4 1763 B10R1.31 C=C(C)c1csc(c1)CC 271570a_100000694244_100009846239 [0,0,0,0,1,0|3,0,0]=4 1764 B10R1.31 C=C(C)c1csc(c1)SC 271570a_100000694244_200010256830 [0,0,0,0,1,0|2,1,0]=4 1765 B10R1.31 C=C(C)c1csc(n1)OC 271570a_100000694244_100000727839 [0,0,0,0,1,0|3,0,0]=4 1766 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,0,0,0,1,0|2,0,1]=4 1767 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,0,0,0,1,0|2,0,1]=4 1768 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,0,0,0,1,0|2,0,1]=4 1769 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,0,0,0,1,0|2,0,1]=4 1770 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,0,0,0,1,0|2,0,1]=4 1771 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,0,0,0,1,0|1,1,0]=3 1772 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,0,0,0,1,0|1,1,0]=3 1773 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,0,0,0,1,0|1,1,0]=3 1774 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,0,0,0,1,0|1,1,0]=3 1775 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,0,0,0,1,0|1,1,0]=3 1776 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,0,0,0,1,0|1,1,0]=3 1777 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,0,0,0,1,0|2,1,0]=4 1778 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,0,0,0,1,0|2,1,0]=4 1779 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,0,0,0,1,0|1,1,0]=3 1780 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,0,0,0,1,0|1,1,0]=3 1781 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,0,0,0,1,0|2,1,0]=4 1782 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,0,0,0,1,0|2,1,0]=4 1783 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,0,0,0,1,0|2,1,0]=4 1784 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,0,0,0,1,0|2,1,0]=4 1785 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_100010205889_200025704644 [0,0,0,0,1,0|2,1,0]=4 1786 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_200025704644_100010205889 [0,0,0,0,1,0|2,1,0]=4 1787 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,0,0,0,1,0|3,0,0]=4 1788 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,0,0,0,1,0|2,1,0]=4 1789 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,0,0,0,1,0|2,1,0]=4 1790 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,0,0,0,1,0|1,1,0]=3 1791 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,0,0,0,1,0|1,1,0]=3 1792 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,0,0,0,1,0|2,1,0]=4 1793 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,0,0,0,1,0|2,1,0]=4 1794 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,0,0,0,1,0|1,1,0]=3 1795 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,0,0,0,1,0|1,1,0]=3 1796 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,0,0,0,1,0|1,1,0]=3 1797 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,0,0,0,1,0|1,1,0]=3 1798 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,0,0,0,1,0|2,1,0]=4 1799 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,0,0,0,1,0|2,1,0]=4 1800 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,0,0,0,1,0|2,1,0]=4 1801 B10R1.31 CSc1cnn(c1)C(=O)C 62a_100010205889_200000210301 [0,0,0,0,1,0|2,1,0]=4 1802 B10R1.31 CSc1cnn(c1)C(=O)C 62a_200000210301_100010205889 [0,0,0,0,1,0|2,1,0]=4 1803 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,0,0,0,1,0|2,1,0]=4 1804 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,0,0,0,1,0|2,1,0]=4 1805 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,0,0,0,1,0|1,1,0]=3 1806 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,0,0,0,1,0|1,1,0]=3 1807 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,0,0,0,1,0|2,1,0]=4 1808 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,0,0,0,1,0|2,1,0]=4 1809 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,0,0,0,1,0|2,1,0]=4 1810 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,0,0,0,1,0|2,1,0]=4 1811 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,0,0,0,1,0|2,1,0]=4 1812 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,0,0,0,1,0|2,1,0]=4 1813 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,0,0,0,1,0|2,1,0]=4 1814 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,0,0,0,1,0|2,1,0]=4 1815 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,0,0,0,1,0|2,1,0]=4 1816 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,0,0,0,1,0|2,1,0]=4 1817 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,0,0,0,1,0|2,1,0]=4 1818 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,0,0,0,1,0|2,1,0]=4 1819 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,0,0,0,1,0|2,1,0]=4 1820 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,0,0,0,1,0|2,1,0]=4 1821 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,0,0,0,1,0|2,1,0]=4 1822 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,0,0,0,0,1|1,0,1]=3 1823 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,0,0,0,0,1|1,0,1]=3 1824 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,0,0,0,0,1|1,0,1]=3 1825 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,0,0,0,0,1|1,0,1]=3 1826 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,0,0,0,0,1|1,0,1]=3 1827 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,0,0,0,0,1|1,0,1]=3 1828 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,0,0,0,0,1|1,0,1]=3 1829 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,0,0,0,0,1|1,0,1]=3 1830 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,0,0,0,0,1|1,0,1]=3 1831 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,0,0,0,0,1|2,0,1]=4 1832 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,0,0,0,0,1|1,0,1]=3 1833 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,0,0,0,0,1|1,0,1]=3 1834 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,0,0,0,0,1|1,0,1]=3 1835 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,0,0,0,0,1|1,0,1]=3 1836 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,0,0,0,0,1|1,0,1]=3 1837 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,0,0,0,0,1|2,0,1]=4 1838 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,0,0,0,0,1|1,0,1]=3 1839 B12R1.4 C=Cc1ccc(cc1)OC(=S)C 271570a_100011290941_200009816735 [0,0,0,0,0,1|1,1,1]=4 1840 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,0,0,0,0,1|1,0,1]=3 1841 B12R1.4 C=Cc1ccc(cn1)NC(=O)C 271570a_100011290941_100011934715 [0,0,0,0,0,1|2,0,1]=4 1842 B12R1.4 C=Cc1ccc(nc1)NC(=O)C 271570a_100011290941_100000193312 [0,0,0,0,0,1|2,0,1]=4 1843 B12R1.4 CC(=Cc1ccc(cc1)C#N)C 271570a_100102525489_100000179745 [0,0,0,0,0,1|3,0,0]=4 1844 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [0,0,0,0,0,1|3,0,0]=4 1845 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,0,0,0,0,1|3,0,0]=4 1846 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,0,0,0,0,1|3,0,0]=4 1847 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,0,0,0,0,1|3,0,0]=4 1848 B12R1.4 CC(=Cc1ccc(cc1)NN)C 271570a_100102525489_100016988836 [0,0,0,0,0,1|3,0,0]=4 1849 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,0,0,0,0,1|2,0,0]=3 1850 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,0,0,0,0,1|2,0,0]=3 1851 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,0,0,0,0,1|2,0,0]=3 1852 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,0,0,0,0,1|2,0,0]=3 1853 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,0,0,0,0,1|2,0,0]=3 1854 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,0,0,0,0,1|0,0,0]=1 1855 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,0,0,0,0,1|0,0,0]=1 1856 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,0,0,0,0,1|0,1,0]=2 1857 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,0,0,0,0,1|0,1,0]=2 1858 B12R1.4 CC(=O)Cc1ccc(cn1)C#N 1458a_100000070787_100000693164 [0,0,0,0,0,1|3,0,0]=4 1859 B12R1.4 CC(=O)Cc1ccc(nc1)C#N 1458a_100000070787_100009816919 [0,0,0,0,0,1|3,0,0]=4 1860 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,0,0,0,0,1|2,0,0]=3 1861 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,0,0,0,0,1|2,0,0]=3 1862 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,0,0,0,0,1|2,0,0]=3 1863 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,0,0,0,0,1|1,0,0]=2 1864 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,0,0,0,0,1|0,0,0]=1 1865 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,0,0,0,0,1|0,0,0]=1 1866 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,0,0,0,0,1|0,1,0]=2 1867 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,0,0,0,0,1|1,0,0]=2 1868 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,0,0,0,0,1|1,0,0]=2 1869 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,0,0,0,0,1|1,1,0]=3 1870 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,0,0,0,0,1|1,1,0]=3 1871 B12R1.4 CC(=O)Nc1ccc(nn1)S[13CH3] 62a_200025704644_100011804224 [0,0,0,0,0,1|2,1,0]=4 1872 B12R1.4 CC(=O)Nc1cnc(nc1)S[13CH3] 62a_200025704644_200010565192 [0,0,0,0,0,1|2,1,0]=4 1873 B12R1.4 CC(=O)Nc1ncc(cn1)S[13CH3] 62a_100010141023_200025704644 [0,0,0,0,0,1|2,1,0]=4 1874 B12R1.4 CC(=O)Nc1ncc(cn1)S[13CH3] 62a_200025704644_100010141023 [0,0,0,0,0,1|2,1,0]=4 1875 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,0,0,0,0,1|0,1,0]=2 1876 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,0,0,0,0,1|0,1,0]=2 1877 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,0,0,0,0,1|0,2,0]=3 1878 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [0,0,0,0,0,1|2,0,1]=4 1879 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [0,0,0,0,0,1|2,0,1]=4 1880 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [0,0,0,0,0,1|1,1,1]=4 1881 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [0,0,0,0,0,1|1,1,1]=4 1882 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [0,0,0,0,0,1|1,1,1]=4 1883 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [0,0,0,0,0,1|1,1,1]=4 1884 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [0,0,0,0,0,1|2,0,1]=4 1885 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [0,0,0,0,0,1|2,0,1]=4 1886 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,0,0,0,0,1|1,0,1]=3 1887 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,0,0,0,0,1|1,0,1]=3 1888 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [0,0,0,0,0,1|1,1,1]=4 1889 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [0,0,0,0,0,1|1,1,1]=4 1890 B12R1.4 CC(C)Oc1ccc(cn1)O[13CH3] 34a_100009858630_200025704644 [0,0,0,0,0,1|2,0,1]=4 1891 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [0,0,0,0,0,1|1,1,1]=4 1892 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [0,0,0,0,0,1|1,1,1]=4 1893 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,0,0,0,0,1|1,0,1]=3 1894 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,0,0,0,0,1|2,0,0]=3 1895 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,0,0,0,0,1|1,0,0]=2 1896 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,0,0,0,0,1|1,0,0]=2 1897 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,0,0,0,0,1|1,0,0]=2 1898 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [0,0,0,0,0,1|3,0,0]=4 1899 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [0,0,0,0,0,1|3,0,0]=4 1900 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [0,0,0,0,0,1|3,0,0]=4 1901 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [0,0,0,0,0,1|3,0,0]=4 1902 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [0,0,0,0,0,1|3,0,0]=4 1903 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [0,0,0,0,0,1|3,0,0]=4 1904 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [0,0,0,0,0,1|3,0,0]=4 1905 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,0,0,0,0,1|1,0,0]=2 1906 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,0,0,0,0,1|1,0,0]=2 1907 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,0,0,0,0,1|1,0,0]=2 1908 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,0,0,0,0,1|1,0,0]=2 1909 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [0,0,0,0,0,1|2,0,1]=4 1910 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [0,0,0,0,0,1|2,0,1]=4 1911 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [0,0,0,0,0,1|2,0,1]=4 1912 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [0,0,0,0,0,1|2,0,1]=4 1913 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [0,0,0,0,0,1|2,0,1]=4 1914 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [0,0,0,0,0,1|2,0,1]=4 1915 B12R1.4 CCc1ccc(cn1)C=C(C)C 271570a_100102525489_100009820025 [0,0,0,0,0,1|3,0,0]=4 1916 B12R1.4 CCc1ccc(nc1)C=C(C)C 271570a_100102525489_100009843584 [0,0,0,0,0,1|3,0,0]=4 1917 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [0,0,0,0,0,1|2,1,0]=4 1918 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [0,0,0,0,0,1|2,1,0]=4 1919 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,0,0,0,0,1|2,0,0]=3 1920 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,0,0,0,0,1|2,0,0]=3 1921 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,0,0,0,0,1|2,0,0]=3 1922 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [0,0,0,0,0,1|2,0,1]=4 1923 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [0,0,0,0,0,1|2,0,1]=4 1924 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,0,0,0,0,1|1,0,0]=2 1925 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [0,0,0,0,0,1|2,0,1]=4 1926 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [0,0,0,0,0,1|2,0,1]=4 1927 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [0,0,0,0,0,1|2,0,1]=4 1928 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [0,0,0,0,0,1|2,0,1]=4 1929 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [0,0,0,0,0,1|2,0,1]=4 1930 B12R1.4 CNc1ccc(cn1)C=C(C)C 271570a_100102525489_100000741341 [0,0,0,0,0,1|3,0,0]=4 1931 B12R1.4 CNc1ccc(nc1)C=C(C)C 271570a_100102525489_100000764248 [0,0,0,0,0,1|3,0,0]=4 1932 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,0,0,0,0,1|1,0,0]=2 1933 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,0,0,0,0,1|0,0,0]=1 1934 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,0,0,0,0,1|0,0,0]=1 1935 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,0,0,0,0,1|0,0,0]=1 1936 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,0,0,0,0,1|1,0,0]=2 1937 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,0,0,0,0,1|0,0,0]=1 1938 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,0,0,0,0,1|1,0,1]=3 1939 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,0,0,0,0,1|2,0,0]=3 1940 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,0,0,0,0,1|2,0,0]=3 1941 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,0,0,0,0,1|2,0,0]=3 1942 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,0,0,0,0,1|2,0,0]=3 1943 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,0,0,0,0,1|2,0,0]=3 1944 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,0,0,0,0,1|2,0,0]=3 1945 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,0,0,0,0,1|2,0,0]=3 1946 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,0,0,0,0,1|0,0,0]=1 1947 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,0,0,0,0,1|0,0,0]=1 1948 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,0,0,0,0,1|0,0,0]=1 1949 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,0,0,0,0,1|0,0,0]=1 1950 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,0,0,0,0,1|0,0,0]=1 1951 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,0,0,0,0,1|0,0,0]=1 1952 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,0,0,0,0,1|1,0,1]=3 1953 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,0,0,0,0,1|1,0,1]=3 1954 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,0,0,0,0,1|1,0,1]=3 1955 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,0,0,0,0,1|1,0,1]=3 1956 B12R1.4 COc1ccc(cc1)OC(F)F 34a_100011217645_200000210301 [0,0,0,0,0,1|2,0,1]=4 1957 B12R1.4 COc1ccc(cc1)OC(F)F 7a_100011217645_200000210301 [0,0,0,0,0,1|2,0,1]=4 1958 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,0,0,0,0,1|1,0,1]=3 1959 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [0,0,0,0,0,1|2,0,0]=3 1960 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,0,0,0,0,1|1,0,0]=2 1961 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,0,0,0,0,1|1,0,0]=2 1962 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,0,0,0,0,1|1,0,0]=2 1963 B12R1.4 COc1ccc(cn1)CN(C)C 2230a_100102631434_100020631284 [0,0,0,0,0,1|3,0,0]=4 1964 B12R1.4 COc1ccc(cn1)CN(C)C 269982a_100102631434_100020631284 [0,0,0,0,0,1|3,0,0]=4 1965 B12R1.4 COc1ccc(cn1)CN(C)C 270004a_100102631434_100000761633 [0,0,0,0,0,1|3,0,0]=4 1966 B12R1.4 COc1ccc(cn1)OC(C)C 34a_100011934560_100000210206 [0,0,0,0,0,1|2,0,1]=4 1967 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000047065_100000210206 [0,0,0,0,0,1|2,0,1]=4 1968 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000210206_100000047065 [0,0,0,0,0,1|2,0,1]=4 1969 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [0,0,0,0,0,1|2,0,0]=3 1970 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,0,0,0,0,1|1,0,0]=2 1971 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,0,0,0,0,1|1,0,0]=2 1972 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,0,0,0,0,1|1,0,0]=2 1973 B12R1.4 COc1ccc(nc1)CN(C)C 2230a_100102631434_200000757186 [0,0,0,0,0,1|3,0,0]=4 1974 B12R1.4 COc1ccc(nc1)CN(C)C 269982a_100102631434_200000757186 [0,0,0,0,0,1|3,0,0]=4 1975 B12R1.4 COc1ccc(nc1)CN(C)C 270004a_100102631434_100000701244 [0,0,0,0,0,1|3,0,0]=4 1976 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,0,0,0,0,1|1,0,0]=2 1977 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,0,0,0,0,1|1,0,0]=2 1978 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100009858630_200000210301 [0,0,0,0,0,1|2,0,1]=4 1979 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100012002028_100000210206 [0,0,0,0,0,1|2,0,1]=4 1980 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000210206_100000744180 [0,0,0,0,0,1|2,0,1]=4 1981 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000755202_100000210206 [0,0,0,0,0,1|2,0,1]=4 1982 B12R1.4 COc1ccc(nn1)C=C(C)C 271570a_100102525489_100009819040 [0,0,0,0,0,1|3,0,0]=4 1983 B12R1.4 COc1cnc(cn1)C=C(C)C 271570a_100102525489_100011998698 [0,0,0,0,0,1|3,0,0]=4 1984 B12R1.4 COc1cnc(nc1)C=C(C)C 271570a_100102525489_100000069167 [0,0,0,0,0,1|3,0,0]=4 1985 B12R1.4 COc1ncc(cn1)C=C(C)C 271570a_100102525489_100000686852 [0,0,0,0,0,1|3,0,0]=4 1986 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [0,0,0,0,0,1|2,1,0]=4 1987 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [0,0,0,0,0,1|2,1,0]=4 1988 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,0,0,0,0,1|1,1,0]=3 1989 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [0,0,0,0,0,1|2,1,0]=4 1990 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [0,0,0,0,0,1|2,1,0]=4 1991 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,0,0,0,0,1|0,1,0]=2 1992 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,0,0,0,0,1|0,1,0]=2 1993 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,0,0,0,0,1|0,1,0]=2 1994 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,0,0,0,0,1|0,1,0]=2 1995 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,0,0,0,0,1|1,1,0]=3 1996 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,0,0,0,0,1|1,1,0]=3 1997 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,0,0,0,0,1|0,1,0]=2 1998 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [0,0,0,0,0,1|1,1,1]=4 1999 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [0,0,0,0,0,1|1,1,1]=4 2000 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [0,0,0,0,0,1|2,1,0]=4 2001 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [0,0,0,0,0,1|2,1,0]=4 2002 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [0,0,0,0,0,1|2,1,0]=4 2003 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [0,0,0,0,0,1|2,1,0]=4 2004 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [0,0,0,0,0,1|2,1,0]=4 2005 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [0,0,0,0,0,1|2,1,0]=4 2006 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [0,0,0,0,0,1|2,1,0]=4 2007 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [0,0,0,0,0,1|2,1,0]=4 2008 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [0,0,0,0,0,1|2,1,0]=4 2009 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,0,0,0,0,1|0,1,0]=2 2010 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,0,0,0,0,1|0,1,0]=2 2011 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,0,0,0,0,1|0,1,0]=2 2012 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,0,0,0,0,1|0,1,0]=2 2013 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,0,0,0,0,1|1,1,0]=3 2014 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [0,0,0,0,0,1|1,1,1]=4 2015 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [0,0,0,0,0,1|1,1,1]=4 2016 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [0,0,0,0,0,1|1,1,1]=4 2017 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,0,0,0,0,1|0,1,0]=2 2018 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,0,0,0,0,1|0,2,0]=3 2019 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [0,0,0,0,0,1|1,1,1]=4 2020 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [0,0,0,0,0,1|1,1,1]=4 2021 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [0,0,0,0,0,1|1,1,1]=4 2022 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,0,0,0,0,1|0,1,0]=2 2023 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [0,0,0,0,0,1|1,1,1]=4 2024 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [0,0,0,0,0,1|1,1,1]=4 2025 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [0,0,0,0,0,1|1,1,1]=4 2026 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [0,0,0,0,0,1|1,1,1]=4 2027 B12R1.4 CSc1ccc(cn1)C=C(C)C 271570a_100102525489_100011408404 [0,0,0,0,0,1|2,1,0]=4 2028 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,0,0,0,0,1|2,1,0]=4 2029 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,0,0,0,0,1|2,1,0]=4 2030 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,0,0,0,0,1|1,1,0]=3 2031 B12R1.4 CSc1ccc(nc1)C=C(C)C 271570a_100102525489_100009820866 [0,0,0,0,0,1|2,1,0]=4 2032 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,0,0,0,0,1|2,1,0]=4 2033 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,0,0,0,0,1|2,1,0]=4 2034 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,0,0,0,0,1|1,1,0]=3 2035 B12R1.4 CSc1ccc(nn1)NC(=O)C 62a_200000210301_100011804224 [0,0,0,0,0,1|2,1,0]=4 2036 B12R1.4 CSc1cnc(nc1)NC(=O)C 62a_100010141023_200000210301 [0,0,0,0,0,1|2,1,0]=4 2037 B12R1.4 CSc1cnc(nc1)NC(=O)C 62a_200000210301_100010141023 [0,0,0,0,0,1|2,1,0]=4 2038 B12R1.4 CSc1ncc(cn1)NC(=O)C 62a_200000210301_200010565192 [0,0,0,0,0,1|2,1,0]=4 2039 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,0,0,0,0,1|2,0,0]=3 2040 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,0,0,0,0,1|2,0,0]=3 2041 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,0,0,0,0,1|2,0,0]=3 2042 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,0,0,0,0,1|2,0,0]=3 2043 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,0,0,0,0,1|1,0,0]=2 2044 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 34a_100011217645_200025704644 [0,0,0,0,0,1|2,0,1]=4 2045 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 7a_100011217645_200025704644 [0,0,0,0,0,1|2,0,1]=4 2046 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [0,0,0,0,0,1|2,1,0]=4 2047 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [0,0,0,0,0,1|2,1,0]=4 2048 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [0,0,0,0,0,1|2,1,0]=4 2049 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [0,0,0,0,0,1|2,1,0]=4 2050 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,0,0,0,0,1|1,1,0]=3 2051 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,0,0,0,0,1|1,1,0]=3 2052 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,0,0,0,0,1|1,1,0]=3 2053 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,0,0,0,0,1|2,1,0]=4 2054 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,0,0,0,0,1|2,1,0]=4 2055 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,0,0,0,0,1|2,1,0]=4 2056 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,0,0,0,0,1|2,1,0]=4 2057 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|1,0,1]=4 2058 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|0,0,1]=3 2059 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|1,0,1]=4 2060 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|1,0,1]=4 2061 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,1]=4 2062 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,1]=3 2063 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|1,0,1]=4 2064 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|1,0,1]=4 2065 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|1,0,1]=4 2066 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,1]=3 2067 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,1]=4 2068 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,1]=4 2069 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2070 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 2071 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,0]=3 2072 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2073 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 2074 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 2075 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 2076 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,0]=3 2077 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 2078 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [2,0,0,0,0,0|2,0,0]=4 2079 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [2,0,0,0,0,0|2,0,0]=4 2080 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,0,0,0,0,0|1,0,0]=3 2081 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 2082 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 2083 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|0,0,0]=2 2084 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|0,0,0]=2 2085 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 2086 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 2087 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|1,0,0]=3 2088 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 2089 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 2090 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 2091 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|0,0,1]=3 2092 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|1,0,0]=3 2093 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,0,0,0,0,0|2,0,0]=4 2094 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,0,0,0,0,0|2,0,0]=4 2095 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,0,0,0,0,0|2,0,0]=4 2096 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|1,0,1]=4 2097 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2098 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2099 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|1,0,0]=3 2100 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|1,0,0]=3 2101 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 2102 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 2103 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 2104 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 2105 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2106 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2107 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2108 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 2109 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|1,0,1]=4 2110 B9R1.1 COc1cnc(nc1)C 34a_100000062939_200000210301 [2,0,0,0,0,0|2,0,0]=4 2111 B9R1.1 COc1cnc(nc1)C 7a_100000062939_200000210301 [2,0,0,0,0,0|2,0,0]=4 2112 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [2,0,0,0,0,0|1,1,0]=4 2113 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [2,0,0,0,0,0|1,1,0]=4 2114 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|1,1,0]=4 2115 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|1,1,0]=4 2116 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|0,1,0]=3 2117 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|0,1,0]=3 2118 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|1,1,0]=4 2119 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|1,1,0]=4 2120 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|1,1,0]=4 2121 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|1,1,0]=4 2122 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 2123 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|1,1,0]=4 2124 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,0]=3 2125 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,0]=3 2126 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [2,0,0,0,0,0|1,1,0]=4 2127 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [2,0,0,0,0,0|1,1,0]=4 2128 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [2,0,0,0,0,0|2,0,0]=4 2129 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 2130 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [2,0,0,0,0,0|2,0,0]=4 2131 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [2,0,0,0,0,0|1,1,0]=4 2132 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [2,0,0,0,0,0|1,1,0]=4 2133 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [2,0,0,0,0,0|2,0,0]=4 2134 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,0]=3 2135 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|0,0,0]=2 2136 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|0,0,0]=2 2137 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|0,1,0]=3 2138 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|0,1,0]=3 2139 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|1,0,0]=3 2140 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|1,0,0]=3 2141 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [2,0,0,0,0,0|1,1,0]=4 2142 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [2,0,0,0,0,0|1,1,0]=4 2143 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|1,0,0]=3 2144 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [2,0,0,0,0,0|1,1,0]=4 2145 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [2,0,0,0,0,0|1,1,0]=4 2146 B9R1.1 Cc1ncc(cn1)O[13CH3] 34a_100000062939_200025704644 [2,0,0,0,0,0|2,0,0]=4 2147 B9R1.1 Cc1ncc(cn1)O[13CH3] 7a_100000062939_200025704644 [2,0,0,0,0,0|2,0,0]=4 2148 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 2149 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 2150 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 2151 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 2152 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 2153 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 2154 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 2155 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 2156 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 2157 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,2]=4 2158 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 2159 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2160 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 2161 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2162 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 2163 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 2164 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 2165 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 2166 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,0,0,0,0,0|1,0,0]=3 2167 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 2168 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 2169 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 2170 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 2171 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|1,0,0]=3 2172 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 2173 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 2174 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 2175 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,0,0,0,0,0|2,0,0]=4 2176 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,0,0,0,0,0|2,0,0]=4 2177 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,0,0,0,0,0|2,0,0]=4 2178 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2179 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2180 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 2181 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 2182 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 2183 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 2184 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2185 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2186 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2187 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 2188 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [2,0,0,0,0,0|1,1,0]=4 2189 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [2,0,0,0,0,0|1,1,0]=4 2190 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|1,1,0]=4 2191 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|1,1,0]=4 2192 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|1,1,0]=4 2193 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|1,1,0]=4 2194 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|1,1,0]=4 2195 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|1,1,0]=4 2196 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 2197 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|1,1,0]=4 2198 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,0]=3 2199 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 2200 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [2,0,0,0,0,0|2,0,0]=4 2201 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|1,0,0]=3 2202 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,0,0,0,0,0|2,0,0]=4 2203 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,0,0,0,0,0|2,0,0]=4 2204 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [2,0,0,0,0,0|2,0,0]=4 2205 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,0]=2 2206 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 2207 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 2208 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 2209 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 2210 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 2211 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 2212 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,0]=2 2213 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [1,1,0,0,0,0|0,0,2]=4 2214 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [1,1,0,0,0,0|0,0,2]=4 2215 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [1,1,0,0,0,0|0,0,2]=4 2216 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [1,1,0,0,0,0|0,0,2]=4 2217 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [1,1,0,0,0,0|0,0,2]=4 2218 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,1,0,0,0,0|0,1,0]=3 2219 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,1,0,0,0,0|0,1,0]=3 2220 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,1,0,0,0,0|0,1,0]=3 2221 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,1,0,0,0,0|0,1,0]=3 2222 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [1,1,0,0,0,0|1,0,1]=4 2223 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,1,0,0,0,0|1,0,1]=4 2224 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [1,1,0,0,0,0|1,0,1]=4 2225 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,1,0,0,0,0|0,0,1]=3 2226 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [1,1,0,0,0,0|0,1,1]=4 2227 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [1,1,0,0,0,0|1,0,1]=4 2228 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [1,1,0,0,0,0|1,0,1]=4 2229 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|0,0,1]=3 2230 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|0,0,1]=3 2231 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|0,0,1]=3 2232 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|0,0,1]=3 2233 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,1,0,0,0,0|0,1,1]=4 2234 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,1,0,0,0,0|0,1,1]=4 2235 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,1,0,0,0,0|0,1,1]=4 2236 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,1,0,0,0,0|0,1,1]=4 2237 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [1,1,0,0,0,0|1,0,1]=4 2238 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|1,0,1]=4 2239 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,1,0,0,0,0|1,0,1]=4 2240 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,1,0,0,0,0|1,0,1]=4 2241 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|1,0,1]=4 2242 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [1,1,0,0,0,0|1,0,1]=4 2243 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [1,1,0,0,0,0|1,0,1]=4 2244 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [1,1,0,0,0,0|1,0,1]=4 2245 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [1,1,0,0,0,0|1,0,1]=4 2246 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [1,1,0,0,0,0|1,0,1]=4 2247 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [1,1,0,0,0,0|1,0,1]=4 2248 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [1,1,0,0,0,0|1,0,1]=4 2249 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [1,1,0,0,0,0|1,0,1]=4 2250 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,1,0,0,0,0|0,0,1]=3 2251 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,1,0,0,0,0|0,0,1]=3 2252 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,1,0,0,0,0|0,0,1]=3 2253 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,1,0,0,0,0|0,0,1]=3 2254 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,1,0,0,0,0|0,0,1]=3 2255 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,1,0,0,0,0|0,0,1]=3 2256 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [1,1,0,0,0,0|0,1,1]=4 2257 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [1,1,0,0,0,0|0,1,1]=4 2258 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [1,1,0,0,0,0|0,1,1]=4 2259 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [1,1,0,0,0,0|0,1,1]=4 2260 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,1,0,0,0,0|1,0,1]=4 2261 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,1,0,0,0,0|1,0,1]=4 2262 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [1,1,0,0,0,0|1,0,1]=4 2263 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,1,0,0,0,0|0,0,1]=3 2264 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,1,0,0,0,0|0,0,1]=3 2265 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,1,0,0,0,0|0,0,1]=3 2266 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,1,0,0,0,0|0,0,1]=3 2267 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,1,0,0,0,0|0,0,1]=3 2268 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,1,0,0,0,0|0,1,1]=4 2269 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,1,0,0,0,0|0,1,1]=4 2270 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,1,0,0,0,0|0,1,1]=4 2271 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [1,1,0,0,0,0|0,1,1]=4 2272 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [1,1,0,0,0,0|0,1,1]=4 2273 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [1,1,0,0,0,0|1,0,1]=4 2274 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [1,1,0,0,0,0|1,0,1]=4 2275 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,1,0,0,0,0|1,0,0]=3 2277 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,1,0,0,0,0|1,0,0]=3 2278 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,1,0,0,0,0|1,0,0]=3 2282 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,1,0,0,0,0|0,0,0]=2 2284 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,1,0,0,0,0|0,1,0]=3 2285 B11R1.83 CC=Cc1ccc(cn1)C=O 271570a_100016259895_100000766901 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [1,1,0,0,0,0|2,0,0]=4 2287 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,1,0,0,0,0|1,0,0]=3 2289 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [1,1,0,0,0,0|1,1,0]=4 2290 B11R1.83 CC=Cc1ccc(nc1)C=O 271570a_100016259895_100000754260 [1,1,0,0,0,0|2,0,0]=4 2291 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [1,1,0,0,0,0|2,0,0]=4 2292 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [1,1,0,0,0,0|2,0,0]=4 2293 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,1,0,0,0,0|1,0,0]=3 2294 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [1,1,0,0,0,0|1,1,0]=4 2295 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [1,1,0,0,0,0|2,0,0]=4 2296 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [1,1,0,0,0,0|2,0,0]=4 2297 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [1,1,0,0,0,0|2,0,0]=4 2299 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [1,1,0,0,0,0|1,0,1]=4 2300 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [1,1,0,0,0,0|1,0,1]=4 2301 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [1,1,0,0,0,0|1,0,1]=4 2302 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [1,1,0,0,0,0|1,0,1]=4 2303 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|0,0,1]=3 2304 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|0,0,1]=3 2305 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|0,0,1]=3 2306 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|0,0,1]=3 2307 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [1,1,0,0,0,0|0,1,1]=4 2308 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [1,1,0,0,0,0|0,1,1]=4 2309 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [1,1,0,0,0,0|0,1,1]=4 2310 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [1,1,0,0,0,0|0,1,1]=4 2311 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [1,1,0,0,0,0|1,0,1]=4 2312 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [1,1,0,0,0,0|1,0,1]=4 2313 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,1,0,0,0,0|0,0,1]=3 2314 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,1,0,0,0,0|0,0,1]=3 2315 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,1,0,0,0,0|0,0,1]=3 2316 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,1,0,0,0,0|0,0,1]=3 2317 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,1,0,0,0,0|0,0,1]=3 2318 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [1,1,0,0,0,0|0,1,1]=4 2319 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [1,1,0,0,0,0|0,1,1]=4 2320 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [1,1,0,0,0,0|0,1,1]=4 2321 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 2322 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 2323 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,1,0,0,0,0|0,0,1]=3 2324 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,1,0,0,0,0|0,0,1]=3 2325 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 2326 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,1,0,0,0,0|0,0,2]=4 2327 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,1,0,0,0,0|1,0,0]=3 2328 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,1,0,0,0,0|1,0,0]=3 2329 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,1,0,0,0,0|1,0,0]=3 2330 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,1,0,0,0,0|1,0,0]=3 2331 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,1,0,0,0,0|1,0,0]=3 2332 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,1,0,0,0,0|0,0,1]=3 2333 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,1,0,0,0,0|0,0,1]=3 2334 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,1,0,0,0,0|0,0,1]=3 2335 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,1,0,0,0,0|1,0,0]=3 2336 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,1,0,0,0,0|1,0,0]=3 2337 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,1,0,0,0,0|1,0,0]=3 2338 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [1,1,0,0,0,0|1,0,1]=4 2339 B11R1.83 CCOc1ccc(cn1)SC 62a_100011219444_200000210301 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.83 CCOc1ccc(cn1)SC 62a_200000210301_100011219444 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_100011219444_200025704644 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011219444 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [1,1,0,0,0,0|1,0,1]=4 2344 B11R1.83 CCOc1ccc(nc1)SC 62a_100012355646_200000210301 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.83 CCOc1ccc(nc1)SC 62a_200000210301_100000753957 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_100012355646_200025704644 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000753957 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|0,1,0]=3 2349 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|0,1,0]=3 2350 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [1,1,0,0,0,0|0,1,1]=4 2351 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [1,1,0,0,0,0|0,1,1]=4 2352 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [1,1,0,0,0,0|1,0,1]=4 2353 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [1,1,0,0,0,0|1,0,1]=4 2354 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [1,1,0,0,0,0|1,0,1]=4 2355 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [1,1,0,0,0,0|1,0,1]=4 2356 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,1,0,0,0,0|0,0,1]=3 2357 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [1,1,0,0,0,0|0,1,1]=4 2358 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [1,1,0,0,0,0|0,1,1]=4 2359 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [1,1,0,0,0,0|0,1,1]=4 2360 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [1,1,0,0,0,0|0,1,1]=4 2361 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [1,1,0,0,0,0|0,1,1]=4 2362 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [1,1,0,0,0,0|0,1,1]=4 2363 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [1,1,0,0,0,0|1,1,0]=4 2364 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [1,1,0,0,0,0|1,1,0]=4 2365 B11R1.83 CCSc1ccc(cn1)OC 62a_100000210202_100000744180 [1,1,0,0,0,0|1,0,1]=4 2366 B11R1.83 CCSc1ccc(cn1)OC 62a_100000755202_100000210202 [1,1,0,0,0,0|1,0,1]=4 2367 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [1,1,0,0,0,0|1,1,0]=4 2368 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [1,1,0,0,0,0|1,1,0]=4 2369 B11R1.83 CCSc1ccc(nc1)OC 62a_100000047065_100000210202 [1,1,0,0,0,0|1,0,1]=4 2370 B11R1.83 CCSc1ccc(nc1)OC 62a_100000210202_100000047065 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [1,1,0,0,0,0|1,0,1]=4 2373 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [1,1,0,0,0,0|1,0,1]=4 2374 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [1,1,0,0,0,0|1,0,1]=4 2375 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [1,1,0,0,0,0|1,0,1]=4 2377 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [1,1,0,0,0,0|1,0,1]=4 2378 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [1,1,0,0,0,0|1,0,1]=4 2379 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [1,1,0,0,0,0|1,0,1]=4 2381 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,1,0,0,0,0|0,0,1]=3 2382 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,1,0,0,0,0|0,0,1]=3 2383 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,1,0,0,0,0|0,0,1]=3 2384 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,1,0,0,0,0|0,0,1]=3 2385 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,1,0,0,0,0|0,0,1]=3 2386 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [1,1,0,0,0,0|0,1,1]=4 2387 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [1,1,0,0,0,0|0,1,1]=4 2388 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [1,1,0,0,0,0|0,1,1]=4 2389 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [1,1,0,0,0,0|0,1,1]=4 2390 B11R1.83 CCc1ccc(cc1)NCF 34a_100000211069_100015361967 [1,1,0,0,0,0|1,0,1]=4 2391 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,1,0,0,0,0|0,0,1]=3 2392 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,1,0,0,0,0|0,0,1]=3 2393 B11R1.83 CCc1ccc(cc1)SCF 62a_100011215824_100015361967 [1,1,0,0,0,0|0,1,1]=4 2394 B11R1.83 CCc1ccc(cc1)SCF 62a_100015361967_100011215824 [1,1,0,0,0,0|0,1,1]=4 2395 B11R1.83 CCc1ccc(nc1)COC 34a_100000068455_200000210301 [1,1,0,0,0,0|1,0,1]=4 2396 B11R1.83 CCc1ccc(nc1)CO[13CH3] 34a_100000068455_200025704644 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [1,1,0,0,0,0|1,0,0]=3 2398 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [1,1,0,0,0,0|1,0,0]=3 2399 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [1,1,0,0,0,0|1,0,0]=3 2400 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|0,0,1]=3 2401 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|0,0,1]=3 2402 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|0,0,1]=3 2403 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|0,0,1]=3 2404 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|0,0,1]=3 2405 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|0,0,1]=3 2406 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|0,0,1]=3 2407 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|0,0,1]=3 2408 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|0,0,1]=3 2409 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [1,1,0,0,0,0|0,1,1]=4 2410 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [1,1,0,0,0,0|0,1,1]=4 2411 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [1,1,0,0,0,0|0,1,1]=4 2412 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [1,1,0,0,0,0|0,1,1]=4 2413 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [1,1,0,0,0,0|0,1,1]=4 2414 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [1,1,0,0,0,0|0,1,1]=4 2415 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [1,1,0,0,0,0|0,1,1]=4 2416 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [1,1,0,0,0,0|0,1,1]=4 2417 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [1,1,0,0,0,0|0,1,1]=4 2418 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [1,1,0,0,0,0|0,1,1]=4 2419 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [1,1,0,0,0,0|0,1,1]=4 2420 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [1,1,0,0,0,0|0,1,1]=4 2421 B11R1.83 CNCc1ccc(cn1)OC 207a_100102657272_100000701244 [1,1,0,0,0,0|1,0,1]=4 2422 B11R1.83 CNCc1ccc(cn1)OC 2230a_106832991635_200000757186 [1,1,0,0,0,0|1,0,1]=4 2423 B11R1.83 CNCc1ccc(cn1)OC 270004a_106832991635_100000701244 [1,1,0,0,0,0|1,0,1]=4 2424 B11R1.83 CNCc1ccc(cn1)OC 34a_100000703904_200000210301 [1,1,0,0,0,0|1,0,1]=4 2425 B11R1.83 CNCc1ccc(cn1)OC 34a_100102657272_200000757186 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.83 CNCc1ccc(cn1)OC 7a_106832991635_200000757186 [1,1,0,0,0,0|1,0,1]=4 2427 B11R1.83 CNCc1ccc(nc1)OC 207a_100102657272_100000761633 [1,1,0,0,0,0|1,0,1]=4 2428 B11R1.83 CNCc1ccc(nc1)OC 2230a_100000241975_200000210301 [1,1,0,0,0,0|1,0,1]=4 2429 B11R1.83 CNCc1ccc(nc1)OC 2230a_106832991635_100020631284 [1,1,0,0,0,0|1,0,1]=4 2430 B11R1.83 CNCc1ccc(nc1)OC 270004a_106832991635_100000761633 [1,1,0,0,0,0|1,0,1]=4 2431 B11R1.83 CNCc1ccc(nc1)OC 34a_100102657272_100020631284 [1,1,0,0,0,0|1,0,1]=4 2432 B11R1.83 CNCc1ccc(nc1)OC 7a_106832991635_100020631284 [1,1,0,0,0,0|1,0,1]=4 2433 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 2434 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 2435 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,1,0,0,0,0|1,0,0]=3 2436 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [1,1,0,0,0,0|1,0,1]=4 2437 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [1,1,0,0,0,0|1,0,1]=4 2438 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [1,1,0,0,0,0|1,0,1]=4 2439 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [1,1,0,0,0,0|1,0,0]=3 2440 B11R1.83 CNc1ccc(cc1)SCF 62a_100000743151_100015361967 [1,1,0,0,0,0|1,1,0]=4 2441 B11R1.83 CNc1ccc(cc1)SCF 62a_100015361967_100000743151 [1,1,0,0,0,0|1,1,0]=4 2442 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 2443 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [1,1,0,0,0,0|1,0,1]=4 2444 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 2445 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,1,0,0,0,0|0,0,0]=2 2446 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 2447 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 2448 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2449 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2450 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,1,0,0,0,0|1,0,1]=4 2451 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|0,0,2]=4 2452 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,1,0,0,0,0|1,0,0]=3 2453 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2454 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|0,0,1]=3 2455 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|0,0,1]=3 2456 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|0,0,1]=3 2457 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|0,0,1]=3 2458 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|0,0,1]=3 2459 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,1,0,0,0,0|1,0,0]=3 2460 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,1,0,0,0,0|1,0,0]=3 2461 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,1,0,0,0,0|1,0,0]=3 2462 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,1,0,0,0,0|1,0,0]=3 2463 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,1,0,0,0,0|1,0,0]=3 2464 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,1,0,0,0,0|1,0,0]=3 2465 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,1,0,0,0,0|1,0,0]=3 2466 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [1,1,0,0,0,0|1,0,1]=4 2467 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [1,1,0,0,0,0|1,0,1]=4 2468 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [1,1,0,0,0,0|1,0,1]=4 2469 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [1,1,0,0,0,0|1,0,1]=4 2470 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|0,0,2]=4 2471 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|0,0,2]=4 2472 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|0,0,1]=3 2473 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|0,0,1]=3 2474 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,1]=3 2475 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|0,0,1]=3 2476 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|0,0,1]=3 2477 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|0,0,1]=3 2478 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2479 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|0,0,1]=3 2480 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|0,0,1]=3 2481 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,1,0,0,0,0|1,0,0]=3 2482 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,1,0,0,0,0|1,0,0]=3 2483 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,1,0,0,0,0|1,0,0]=3 2484 B11R1.83 COc1ccc(cn1)CN[13CH3] 2230a_100000241975_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B11R1.83 COc1ccc(cn1)CSC 62a_100020631284_200000210301 [1,1,0,0,0,0|1,0,1]=4 2487 B11R1.83 COc1ccc(cn1)CSC 62a_200000210301_100020631284 [1,1,0,0,0,0|1,0,1]=4 2488 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_100020631284_200025704644 [1,1,0,0,0,0|1,0,1]=4 2489 B11R1.83 COc1ccc(cn1)CS[13CH3] 62a_200025704644_100020631284 [1,1,0,0,0,0|1,0,1]=4 2490 B11R1.83 COc1ccc(cn1)OCF 34a_100011934560_100015361967 [1,1,0,0,0,0|2,0,0]=4 2491 B11R1.83 COc1ccc(cn1)SCF 62a_100000047065_100015361967 [1,1,0,0,0,0|2,0,0]=4 2492 B11R1.83 COc1ccc(cn1)SCF 62a_100015361967_100000047065 [1,1,0,0,0,0|2,0,0]=4 2493 B11R1.83 COc1ccc(nc1)CN[13CH3] 34a_100000703904_200025704644 [1,1,0,0,0,0|1,0,1]=4 2494 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [1,1,0,0,0,0|1,0,1]=4 2495 B11R1.83 COc1ccc(nc1)CSC 62a_200000210301_200000757186 [1,1,0,0,0,0|1,0,1]=4 2496 B11R1.83 COc1ccc(nc1)CSC 62a_200000757186_200000210301 [1,1,0,0,0,0|1,0,1]=4 2497 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200000757186_200025704644 [1,1,0,0,0,0|1,0,1]=4 2498 B11R1.83 COc1ccc(nc1)CS[13CH3] 62a_200025704644_200000757186 [1,1,0,0,0,0|1,0,1]=4 2499 B11R1.83 COc1ccc(nc1)OCF 34a_100012002028_100015361967 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.83 COc1ccc(nc1)SCF 62a_100000755202_100015361967 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.83 COc1ccc(nc1)SCF 62a_100015361967_100000744180 [1,1,0,0,0,0|2,0,0]=4 2502 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [1,1,0,0,0,0|0,1,0]=3 2503 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [1,1,0,0,0,0|0,1,0]=3 2504 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [1,1,0,0,0,0|1,0,1]=4 2505 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [1,1,0,0,0,0|1,0,1]=4 2506 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [1,1,0,0,0,0|1,0,1]=4 2507 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [1,1,0,0,0,0|0,1,1]=4 2508 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [1,1,0,0,0,0|0,1,1]=4 2509 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,1,0,0,0,0|0,1,1]=4 2510 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,1,0,0,0,0|0,1,1]=4 2511 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|0,1,0]=3 2512 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|0,1,0]=3 2513 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [1,1,0,0,0,0|0,1,1]=4 2514 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [1,1,0,0,0,0|0,1,1]=4 2515 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [1,1,0,0,0,0|0,1,1]=4 2516 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [1,1,0,0,0,0|0,1,1]=4 2517 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [1,1,0,0,0,0|0,1,1]=4 2518 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [1,1,0,0,0,0|0,1,1]=4 2519 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,1,0,0,0,0|1,0,0]=3 2520 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,1,0,0,0,0|1,0,0]=3 2521 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [1,1,0,0,0,0|0,1,1]=4 2522 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [1,1,0,0,0,0|0,1,1]=4 2523 B11R1.83 CSc1ccc(cc1)NCF 34a_100000212337_100015361967 [1,1,0,0,0,0|1,1,0]=4 2524 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [1,1,0,0,0,0|1,0,0]=3 2525 B11R1.83 CSc1ccc(cc1)SCF 62a_100011263217_100015361967 [1,1,0,0,0,0|1,1,0]=4 2526 B11R1.83 CSc1ccc(cc1)SCF 62a_100015361967_100011263217 [1,1,0,0,0,0|1,1,0]=4 2527 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [1,1,0,0,0,0|1,0,1]=4 2528 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [1,1,0,0,0,0|1,0,1]=4 2529 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 2530 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [1,1,0,0,0,0|0,1,0]=3 2531 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [1,1,0,0,0,0|0,1,0]=3 2532 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100000754260_100015361967 [1,1,0,0,0,0|1,1,0]=4 2533 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100015361967_100000754260 [1,1,0,0,0,0|1,1,0]=4 2534 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100000766901_100015361967 [1,1,0,0,0,0|1,1,0]=4 2535 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100015361967_100000766901 [1,1,0,0,0,0|1,1,0]=4 2536 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,1,0,0,0,0|0,0,2]=4 2537 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 2538 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 2539 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 2540 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 2541 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 2542 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 2543 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2544 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2545 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,1,0,0,0,0|1,0,1]=4 2546 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|0,0,2]=4 2547 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|0,0,2]=4 2548 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|0,0,1]=3 2549 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|0,0,1]=3 2550 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,1]=3 2551 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|0,0,1]=3 2552 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|0,0,1]=3 2553 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [1,1,0,0,0,0|0,1,0]=3 2554 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [1,1,0,0,0,0|0,1,0]=3 2555 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,1,0,0,0,0|0,1,1]=4 2556 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,1,0,0,0,0|0,1,1]=4 2557 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|0,1,0]=3 2558 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|0,1,0]=3 2559 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [1,1,0,0,0,0|0,1,1]=4 2560 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [1,1,0,0,0,0|0,1,1]=4 2561 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [1,1,0,0,0,0|0,1,1]=4 2562 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [1,1,0,0,0,0|0,1,1]=4 2563 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [1,1,0,0,0,0|1,0,1]=4 2564 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,1,0,0,0,0|1,0,1]=4 2565 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|1,0,1]=4 2566 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|0,0,1]=3 2567 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|1,0,1]=4 2568 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,1,0,0,0,0|1,0,1]=4 2569 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|0,0,1]=3 2570 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|1,0,1]=4 2571 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|0,0,1]=3 2572 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [1,1,0,0,0,0|0,1,1]=4 2573 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|1,0,1]=4 2574 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|1,0,1]=4 2575 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [1,1,0,0,0,0|1,0,1]=4 2576 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|0,0,1]=3 2577 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [1,1,0,0,0,0|0,1,1]=4 2578 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|1,0,1]=4 2579 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|1,0,1]=4 2580 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [1,1,0,0,0,0|1,0,1]=4 2581 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|0,0,1]=3 2582 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|1,0,1]=4 2583 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|0,0,1]=3 2584 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [1,1,0,0,0,0|1,0,1]=4 2585 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,1,0,0,0,0|1,0,1]=4 2586 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [1,1,0,0,0,0|1,0,1]=4 2587 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [1,1,0,0,0,0|1,0,1]=4 2588 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [1,1,0,0,0,0|1,0,1]=4 2589 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,1,0,0,0,0|1,0,1]=4 2590 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [1,1,0,0,0,0|0,0,1]=3 2591 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|1,0,1]=4 2592 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [1,1,0,0,0,0|1,0,1]=4 2593 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,1,0,0,0,0|0,0,1]=3 2594 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|1,0,1]=4 2595 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,1,0,0,0,0|1,0,1]=4 2596 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [1,1,0,0,0,0|1,0,1]=4 2597 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [1,1,0,0,0,0|0,0,1]=3 2598 B11R1.279 C=Cc1ccc(cc1F)SC 271570a_100011290941_100009816902 [1,1,0,0,0,0|0,1,1]=4 2599 B11R1.279 C=Cc1ccc(cc1F)SC 62a_100011935271_200000210301 [1,1,0,0,0,0|0,1,1]=4 2600 B11R1.279 C=Cc1ccc(cc1F)SC 62a_200000210301_100011935271 [1,1,0,0,0,0|0,1,1]=4 2601 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_100011935271_200025704644 [1,1,0,0,0,0|0,1,1]=4 2602 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100011935271 [1,1,0,0,0,0|0,1,1]=4 2603 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [1,1,0,0,0,0|0,0,1]=3 2604 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|1,0,1]=4 2605 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [1,1,0,0,0,0|0,0,1]=3 2606 B11R1.279 C=Cc1ccc(nc1C)OC 271570a_100011290941_100000766551 [1,1,0,0,0,0|1,0,1]=4 2607 B11R1.279 C=Cc1ccc(nc1F)OC 271570a_100011290941_100010067559 [1,1,0,0,0,0|1,0,1]=4 2608 B11R1.279 C=Cc1ccc(nc1N)OC 271570a_100011290941_100010187629 [1,1,0,0,0,0|1,0,1]=4 2609 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [1,1,0,0,0,0|1,0,1]=4 2610 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,1,0,0,0,0|1,0,1]=4 2611 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [1,1,0,0,0,0|1,0,1]=4 2612 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [1,1,0,0,0,0|1,0,1]=4 2613 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,1,0,0,0,0|1,0,1]=4 2614 B11R1.279 C=Cc1cnc(cc1C)OC 271570a_100011290941_100011934368 [1,1,0,0,0,0|1,0,1]=4 2615 B11R1.279 C=Cc1cnc(cc1F)OC 271570a_100011290941_100010136277 [1,1,0,0,0,0|1,0,1]=4 2616 B11R1.279 C=Cc1cnc(cc1N)OC 271570a_100011290941_100010254562 [1,1,0,0,0,0|1,0,1]=4 2617 B11R1.279 C=Cc1cnc(cc1O)OC 271570a_100011290941_100010738159 [1,1,0,0,0,0|1,0,1]=4 2618 B11R1.279 C=Cc1ncc(cc1C)OC 271570a_100011290941_200009851512 [1,1,0,0,0,0|1,0,1]=4 2619 B11R1.279 C=Cc1ncc(cc1N)OC 271570a_100011290941_100010074831 [1,1,0,0,0,0|1,0,1]=4 2620 B11R1.279 CCc1ccc(c(c1)Br)NC 2230a_100012339725_200000210301 [1,1,0,0,0,0|1,0,1]=4 2621 B11R1.279 CCc1ccc(c(c1)Br)NC 34a_100012339725_200000210301 [1,1,0,0,0,0|1,0,1]=4 2622 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 2230a_100012339725_200025704644 [1,1,0,0,0,0|1,0,1]=4 2623 B11R1.279 CCc1ccc(c(c1)Br)N[13CH3] 34a_100012339725_200025704644 [1,1,0,0,0,0|1,0,1]=4 2624 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,1,0,0,0,0|0,0,1]=3 2625 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,1,0,0,0,0|0,0,1]=3 2626 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,1,0,0,0,0|0,0,1]=3 2627 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,1,0,0,0,0|0,0,1]=3 2628 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200000210301_200009997437 [1,1,0,0,0,0|0,1,1]=4 2629 B11R1.279 CCc1ccc(c(c1)Br)SC 62a_200009997437_200000210301 [1,1,0,0,0,0|0,1,1]=4 2630 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200009997437_200025704644 [1,1,0,0,0,0|0,1,1]=4 2631 B11R1.279 CCc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200009997437 [1,1,0,0,0,0|0,1,1]=4 2632 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2633 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2634 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2635 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2636 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2637 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2638 B11R1.279 CCc1ccc(c(c1)F)NC 2230a_100016177294_200000210301 [1,1,0,0,0,0|1,0,1]=4 2639 B11R1.279 CCc1ccc(c(c1)F)NC 34a_100016177294_200000210301 [1,1,0,0,0,0|1,0,1]=4 2640 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 2230a_100016177294_200025704644 [1,1,0,0,0,0|1,0,1]=4 2641 B11R1.279 CCc1ccc(c(c1)F)N[13CH3] 34a_100016177294_200025704644 [1,1,0,0,0,0|1,0,1]=4 2642 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200000210301_200010339503 [1,1,0,0,0,0|0,1,1]=4 2643 B11R1.279 CCc1ccc(c(c1)F)SC 62a_200010339503_200000210301 [1,1,0,0,0,0|0,1,1]=4 2644 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200010339503_200025704644 [1,1,0,0,0,0|0,1,1]=4 2645 B11R1.279 CCc1ccc(c(c1)F)S[13CH3] 62a_200025704644_200010339503 [1,1,0,0,0,0|0,1,1]=4 2646 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,1,0,0,0,0|0,0,1]=3 2647 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,1,0,0,0,0|0,0,1]=3 2648 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,1,0,0,0,0|0,0,1]=3 2649 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,1,0,0,0,0|0,0,1]=3 2650 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,1,0,0,0,0|1,0,1]=4 2651 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,1,0,0,0,0|1,0,1]=4 2652 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|0,0,1]=3 2653 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2654 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2655 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [1,1,0,0,0,0|1,0,1]=4 2656 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2657 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2658 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [1,1,0,0,0,0|1,0,1]=4 2659 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [1,1,0,0,0,0|0,0,1]=3 2660 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [1,1,0,0,0,0|0,0,1]=3 2661 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [1,1,0,0,0,0|0,0,1]=3 2662 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [1,1,0,0,0,0|0,0,1]=3 2663 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [1,1,0,0,0,0|0,1,1]=4 2664 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [1,1,0,0,0,0|0,1,1]=4 2665 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [1,1,0,0,0,0|0,1,1]=4 2666 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [1,1,0,0,0,0|0,1,1]=4 2667 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [1,1,0,0,0,0|0,1,1]=4 2668 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [1,1,0,0,0,0|0,1,1]=4 2669 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [1,1,0,0,0,0|0,1,1]=4 2670 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [1,1,0,0,0,0|0,1,1]=4 2671 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [1,1,0,0,0,0|1,0,0]=3 2672 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2673 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2674 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|1,0,0]=3 2675 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [1,1,0,0,0,0|1,1,0]=4 2676 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [1,1,0,0,0,0|1,1,0]=4 2677 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [1,1,0,0,0,0|1,1,0]=4 2678 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [1,1,0,0,0,0|1,1,0]=4 2679 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [1,1,0,0,0,0|1,0,0]=3 2680 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [1,1,0,0,0,0|1,0,0]=3 2681 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [1,1,0,0,0,0|1,0,0]=3 2682 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [1,1,0,0,0,0|1,0,0]=3 2683 B11R1.279 CNc1ccc(c(c1)F)SC 2230a_100000762756_200000210301 [1,1,0,0,0,0|1,1,0]=4 2684 B11R1.279 CNc1ccc(c(c1)F)SC 34a_100000762756_200000210301 [1,1,0,0,0,0|1,1,0]=4 2685 B11R1.279 CNc1ccc(c(c1)F)SC 62a_100012285320_200000210301 [1,1,0,0,0,0|1,1,0]=4 2686 B11R1.279 CNc1ccc(c(c1)F)SC 62a_200000210301_100012285320 [1,1,0,0,0,0|1,1,0]=4 2687 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_100012285320_200025704644 [1,1,0,0,0,0|1,1,0]=4 2688 B11R1.279 CNc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100012285320 [1,1,0,0,0,0|1,1,0]=4 2689 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [1,1,0,0,0,0|1,0,0]=3 2690 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|1,0,0]=3 2691 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|1,0,0]=3 2692 B11R1.279 CNc1ccc(c(n1)F)C=O 27a_100102657272_100010064369 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.279 CNc1ccc(c(n1)F)OC 27a_100102657272_100010138636 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [1,1,0,0,0,0|1,0,0]=3 2695 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,1,0,0,0,0|1,0,0]=3 2696 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 2697 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,1,0,0,0,0|1,0,0]=3 2698 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 2699 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,1,0,0,0,0|1,0,0]=3 2700 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [1,1,0,0,0,0|1,1,0]=4 2701 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [1,1,0,0,0,0|1,1,0]=4 2702 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [1,1,0,0,0,0|1,1,0]=4 2703 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [1,1,0,0,0,0|1,1,0]=4 2704 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [1,1,0,0,0,0|1,0,0]=3 2705 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [1,1,0,0,0,0|1,0,0]=3 2706 B11R1.279 CNc1ccc(cc1F)SC 34a_100012056844_200000210301 [1,1,0,0,0,0|1,1,0]=4 2707 B11R1.279 CNc1ccc(cc1F)SC 62a_100000743884_200000210301 [1,1,0,0,0,0|1,1,0]=4 2708 B11R1.279 CNc1ccc(cc1F)SC 62a_200000210301_100000743884 [1,1,0,0,0,0|1,1,0]=4 2709 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_100000743884_200025704644 [1,1,0,0,0,0|1,1,0]=4 2710 B11R1.279 CNc1ccc(cc1F)S[13CH3] 62a_200025704644_100000743884 [1,1,0,0,0,0|1,1,0]=4 2711 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2712 B11R1.279 CNc1ccc(cc1N)SC 62a_100000741790_200000210301 [1,1,0,0,0,0|1,1,0]=4 2713 B11R1.279 CNc1ccc(cc1N)S[13CH3] 62a_100000741790_200025704644 [1,1,0,0,0,0|1,1,0]=4 2714 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|1,0,0]=3 2715 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [1,1,0,0,0,0|1,0,0]=3 2716 B11R1.279 COc1cc(c(cn1)SC)C 62a_100011934368_200000210301 [1,1,0,0,0,0|2,0,0]=4 2717 B11R1.279 COc1cc(c(cn1)SC)C 62a_200000210301_100011934368 [1,1,0,0,0,0|2,0,0]=4 2718 B11R1.279 COc1cc(c(cn1)SC)F 62a_100010136277_200000210301 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.279 COc1cc(c(cn1)SC)F 62a_200000210301_100010136277 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.279 COc1cc(c(cn1)SC)N 62a_100010254562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2721 B11R1.279 COc1cc(c(cn1)SC)N 62a_200000210301_100010254562 [1,1,0,0,0,0|2,0,0]=4 2722 B11R1.279 COc1cc(c(cn1)SC)O 62a_100010738159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2723 B11R1.279 COc1cc(c(cn1)SC)O 62a_200000210301_100010738159 [1,1,0,0,0,0|2,0,0]=4 2724 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_100011934368_200025704644 [1,1,0,0,0,0|2,0,0]=4 2725 B11R1.279 COc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934368 [1,1,0,0,0,0|2,0,0]=4 2726 B11R1.279 COc1cc(c(cn1)S[13CH3])F 62a_100010136277_200025704644 [1,1,0,0,0,0|2,0,0]=4 2727 B11R1.279 COc1cc(c(cn1)S[13CH3])F 62a_200025704644_100010136277 [1,1,0,0,0,0|2,0,0]=4 2728 B11R1.279 COc1cc(c(cn1)S[13CH3])N 62a_100010254562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2729 B11R1.279 COc1cc(c(cn1)S[13CH3])N 62a_200025704644_100010254562 [1,1,0,0,0,0|2,0,0]=4 2730 B11R1.279 COc1cc(c(cn1)S[13CH3])O 62a_100010738159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2731 B11R1.279 COc1cc(c(cn1)S[13CH3])O 62a_200025704644_100010738159 [1,1,0,0,0,0|2,0,0]=4 2732 B11R1.279 COc1ccc(c(c1)Br)C#N 34a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2733 B11R1.279 COc1ccc(c(c1)Br)C#N 7a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2734 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [1,1,0,0,0,0|0,0,2]=4 2735 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [1,1,0,0,0,0|0,0,2]=4 2736 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [1,1,0,0,0,0|1,0,0]=3 2737 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [1,1,0,0,0,0|1,0,0]=3 2738 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [1,1,0,0,0,0|1,0,0]=3 2739 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [1,1,0,0,0,0|1,0,0]=3 2740 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [1,1,0,0,0,0|1,0,0]=3 2741 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [1,1,0,0,0,0|1,0,0]=3 2742 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [1,1,0,0,0,0|1,0,0]=3 2743 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [1,1,0,0,0,0|1,0,0]=3 2744 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [1,1,0,0,0,0|1,0,0]=3 2745 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [1,1,0,0,0,0|1,0,0]=3 2746 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [1,1,0,0,0,0|1,0,0]=3 2747 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2748 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2749 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,1,0,0,0,0|1,0,0]=3 2750 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|1,0,0]=3 2751 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|1,0,0]=3 2752 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|1,0,0]=3 2753 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|1,0,0]=3 2754 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|1,0,0]=3 2755 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|1,0,0]=3 2756 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,1,0,0,0,0|1,0,0]=3 2757 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,1,0,0,0,0|1,0,0]=3 2758 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,1,0,0,0,0|1,0,0]=3 2759 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,1,0,0,0,0|1,0,0]=3 2760 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,1,0,0,0,0|1,0,0]=3 2761 B11R1.279 COc1ccc(c(c1)Cl)C#N 34a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2762 B11R1.279 COc1ccc(c(c1)Cl)C#N 7a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2763 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2764 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [1,1,0,0,0,0|0,0,2]=4 2765 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [1,1,0,0,0,0|0,0,2]=4 2766 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [1,1,0,0,0,0|1,0,0]=3 2767 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [1,1,0,0,0,0|1,0,0]=3 2768 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2769 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [1,1,0,0,0,0|1,0,0]=3 2770 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2771 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [1,1,0,0,0,0|1,0,0]=3 2772 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [1,1,0,0,0,0|1,0,0]=3 2773 B11R1.279 COc1ccc(c(c1)F)C#N 34a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 2774 B11R1.279 COc1ccc(c(c1)F)C#N 7a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 2775 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [1,1,0,0,0,0|0,0,2]=4 2776 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [1,1,0,0,0,0|0,0,2]=4 2777 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [1,1,0,0,0,0|1,0,0]=3 2778 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [1,1,0,0,0,0|1,0,0]=3 2779 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [1,1,0,0,0,0|1,0,0]=3 2780 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [1,1,0,0,0,0|1,0,0]=3 2781 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [1,1,0,0,0,0|1,0,0]=3 2782 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [1,1,0,0,0,0|1,0,0]=3 2783 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [1,1,0,0,0,0|1,0,0]=3 2784 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [1,1,0,0,0,0|1,0,0]=3 2785 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [1,1,0,0,0,0|1,0,0]=3 2786 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [1,1,0,0,0,0|1,0,0]=3 2787 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [1,1,0,0,0,0|1,0,0]=3 2788 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [1,1,0,0,0,0|1,0,0]=3 2789 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [1,1,0,0,0,0|1,0,0]=3 2790 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [1,1,0,0,0,0|1,0,0]=3 2791 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|1,0,0]=3 2792 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [1,1,0,0,0,0|1,0,0]=3 2793 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2794 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [1,1,0,0,0,0|1,0,0]=3 2795 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2796 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [1,1,0,0,0,0|1,0,0]=3 2797 B11R1.279 COc1ccc(c(c1)O)C#N 271570a_203496583355_100012355471 [1,1,0,0,0,0|1,0,1]=4 2798 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|0,0,0]=2 2799 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|0,0,2]=4 2800 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [1,1,0,0,0,0|1,0,0]=3 2801 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|1,0,0]=3 2802 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [1,1,0,0,0,0|1,0,0]=3 2803 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [1,1,0,0,0,0|1,0,0]=3 2804 B11R1.279 COc1ccc(c(n1)C)OC 34a_200009873766_200000210301 [1,1,0,0,0,0|2,0,0]=4 2805 B11R1.279 COc1ccc(c(n1)C)O[13CH3] 34a_200009873766_200025704644 [1,1,0,0,0,0|2,0,0]=4 2806 B11R1.279 COc1ccc(c(n1)C)SC 62a_100000766551_200000210301 [1,1,0,0,0,0|2,0,0]=4 2807 B11R1.279 COc1ccc(c(n1)C)SC 62a_200000210301_100000766551 [1,1,0,0,0,0|2,0,0]=4 2808 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_100000766551_200025704644 [1,1,0,0,0,0|2,0,0]=4 2809 B11R1.279 COc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000766551 [1,1,0,0,0,0|2,0,0]=4 2810 B11R1.279 COc1ccc(c(n1)F)SC 62a_100010067559_200000210301 [1,1,0,0,0,0|2,0,0]=4 2811 B11R1.279 COc1ccc(c(n1)F)SC 62a_200000210301_100010067559 [1,1,0,0,0,0|2,0,0]=4 2812 B11R1.279 COc1ccc(c(n1)F)S[13CH3] 62a_100010067559_200025704644 [1,1,0,0,0,0|2,0,0]=4 2813 B11R1.279 COc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010067559 [1,1,0,0,0,0|2,0,0]=4 2814 B11R1.279 COc1ccc(c(n1)N)SC 62a_100010187629_200000210301 [1,1,0,0,0,0|2,0,0]=4 2815 B11R1.279 COc1ccc(c(n1)N)S[13CH3] 62a_100010187629_200025704644 [1,1,0,0,0,0|2,0,0]=4 2816 B11R1.279 COc1ccc(c(n1)O)C=O 271570a_203496583355_100012351648 [1,1,0,0,0,0|1,0,0]=3 2817 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 2818 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 2819 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|0,0,2]=4 2820 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|0,0,2]=4 2821 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [1,1,0,0,0,0|1,0,0]=3 2822 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [1,1,0,0,0,0|1,0,0]=3 2823 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [1,1,0,0,0,0|1,0,0]=3 2824 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [1,1,0,0,0,0|1,0,0]=3 2825 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [1,1,0,0,0,0|1,0,0]=3 2826 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [1,1,0,0,0,0|1,0,0]=3 2827 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [1,1,0,0,0,0|1,0,0]=3 2828 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 2829 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 2830 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|0,0,2]=4 2831 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|0,0,2]=4 2832 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2833 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2834 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|1,0,0]=3 2835 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|1,0,0]=3 2836 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|1,0,0]=3 2837 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|1,0,0]=3 2838 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|1,0,0]=3 2839 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|1,0,0]=3 2840 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|1,0,0]=3 2841 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 2842 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 2843 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [1,1,0,0,0,0|1,0,0]=3 2844 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [1,1,0,0,0,0|1,0,0]=3 2845 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [1,1,0,0,0,0|1,0,0]=3 2846 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [1,1,0,0,0,0|1,0,0]=3 2847 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [1,1,0,0,0,0|1,0,0]=3 2848 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [1,1,0,0,0,0|1,0,0]=3 2849 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [1,1,0,0,0,0|1,0,0]=3 2850 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [1,1,0,0,0,0|1,0,0]=3 2851 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 2852 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 2853 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|1,0,1]=4 2854 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [1,1,0,0,0,0|1,0,0]=3 2855 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [1,1,0,0,0,0|1,0,0]=3 2856 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [1,1,0,0,0,0|1,0,0]=3 2857 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [1,1,0,0,0,0|1,0,0]=3 2858 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [1,1,0,0,0,0|1,0,0]=3 2859 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [1,1,0,0,0,0|1,0,0]=3 2860 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [1,1,0,0,0,0|1,0,0]=3 2861 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [1,1,0,0,0,0|1,0,0]=3 2862 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 2863 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 2864 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [1,1,0,0,0,0|1,0,0]=3 2865 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [1,1,0,0,0,0|1,0,0]=3 2866 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [1,1,0,0,0,0|1,0,0]=3 2867 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2868 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2869 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|0,0,2]=4 2870 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [1,1,0,0,0,0|1,0,0]=3 2871 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [1,1,0,0,0,0|1,0,0]=3 2872 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [1,1,0,0,0,0|1,0,0]=3 2873 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [1,1,0,0,0,0|1,0,0]=3 2874 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 2875 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|0,0,0]=2 2876 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,1]=4 2877 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|0,0,2]=4 2878 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|1,0,0]=3 2879 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|1,0,0]=3 2880 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|1,0,0]=3 2881 B11R1.279 COc1ccc(nc1Br)SC 62a_100010214827_200000210301 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.279 COc1ccc(nc1Br)SC 62a_200000210301_100010214827 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.279 COc1ccc(nc1Br)S[13CH3] 62a_100010214827_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.279 COc1ccc(nc1Br)S[13CH3] 62a_200025704644_100010214827 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.279 COc1ccc(nc1C)SC 62a_100010244750_200000210301 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.279 COc1ccc(nc1C)SC 62a_200000210301_100010244750 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.279 COc1ccc(nc1C)S[13CH3] 62a_100010244750_200025704644 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.279 COc1ccc(nc1C)S[13CH3] 62a_200025704644_100010244750 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.279 COc1ccc(nc1Cl)SC 62a_200000210301_100010233546 [1,1,0,0,0,0|2,0,0]=4 2890 B11R1.279 COc1ccc(nc1Cl)S[13CH3] 62a_200025704644_100010233546 [1,1,0,0,0,0|2,0,0]=4 2891 B11R1.279 COc1ccc(nc1F)SC 62a_100010138636_200000210301 [1,1,0,0,0,0|2,0,0]=4 2892 B11R1.279 COc1ccc(nc1F)SC 62a_200000210301_100010138636 [1,1,0,0,0,0|2,0,0]=4 2893 B11R1.279 COc1ccc(nc1F)S[13CH3] 62a_100010138636_200025704644 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.279 COc1ccc(nc1F)S[13CH3] 62a_200025704644_100010138636 [1,1,0,0,0,0|2,0,0]=4 2895 B11R1.279 COc1ccc(nc1N)SC 62a_100010192976_200000210301 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.279 COc1ccc(nc1N)S[13CH3] 62a_100010192976_200025704644 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|1,0,0]=3 2898 B11R1.279 COc1cnc(c(c1)C)SC 62a_200000210301_200009851512 [1,1,0,0,0,0|2,0,0]=4 2899 B11R1.279 COc1cnc(c(c1)C)S[13CH3] 62a_200025704644_200009851512 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.279 COc1cnc(c(c1)N)SC 62a_100010074831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.279 COc1cnc(c(c1)N)SC 62a_200000210301_100010074831 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.279 COc1cnc(c(c1)N)S[13CH3] 62a_100010074831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.279 COc1cnc(c(c1)N)S[13CH3] 62a_200025704644_100010074831 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.279 COc1cnc(c(c1)O)C=O 271570a_203496583355_200010135874 [1,1,0,0,0,0|1,0,0]=3 2905 B11R1.279 COc1cnc(cc1N)SC 62a_100010896307_200000210301 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.279 COc1cnc(cc1N)SC 62a_200000210301_100010896307 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.279 COc1cnc(cc1N)S[13CH3] 62a_100010896307_200025704644 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.279 COc1cnc(cc1N)S[13CH3] 62a_200025704644_100010896307 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|1,0,0]=3 2910 B11R1.279 COc1cnc(cc1O)SC 62a_200000210301_100010264082 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.279 COc1cnc(cc1O)S[13CH3] 62a_200025704644_100010264082 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.279 COc1ncc(cc1Br)SC 62a_200000210301_200010988584 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.279 COc1ncc(cc1Br)SC 62a_200010988584_200000210301 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.279 COc1ncc(cc1Br)S[13CH3] 62a_200010988584_200025704644 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.279 COc1ncc(cc1Br)S[13CH3] 62a_200025704644_200010988584 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.279 COc1ncc(cc1C)SC 62a_100011290809_200000210301 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.279 COc1ncc(cc1C)SC 62a_200000210301_100011290809 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.279 COc1ncc(cc1C)S[13CH3] 62a_100011290809_200025704644 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.279 COc1ncc(cc1C)S[13CH3] 62a_200025704644_100011290809 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.279 COc1ncc(cc1F)SC 62a_100011880707_200000210301 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.279 COc1ncc(cc1F)SC 62a_200000210301_100011880707 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.279 COc1ncc(cc1F)S[13CH3] 62a_100011880707_200025704644 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.279 COc1ncc(cc1F)S[13CH3] 62a_200025704644_100011880707 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.279 COc1ncc(cc1N)SC 62a_100000748608_200000210301 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.279 COc1ncc(cc1N)SC 62a_200000210301_100000748608 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.279 COc1ncc(cc1N)S[13CH3] 62a_100000748608_200025704644 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.279 COc1ncc(cc1N)S[13CH3] 62a_200025704644_100000748608 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|1,0,0]=3 2929 B11R1.279 COc1ncc(cc1O)SC 62a_200000210301_100010135713 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.279 COc1ncc(cc1O)S[13CH3] 62a_200025704644_100010135713 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_100000085382_200000210301 [1,1,0,0,0,0|1,1,0]=4 2932 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_200000210301_100000085382 [1,1,0,0,0,0|1,1,0]=4 2933 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_100000050503_200000210301 [1,1,0,0,0,0|1,1,0]=4 2934 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_200000210301_100000050503 [1,1,0,0,0,0|1,1,0]=4 2935 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [1,1,0,0,0,0|0,1,0]=3 2936 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [1,1,0,0,0,0|0,1,0]=3 2937 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,1,0,0,0,0|0,1,0]=3 2938 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,1,0,0,0,0|0,1,0]=3 2939 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [1,1,0,0,0,0|0,1,0]=3 2940 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [1,1,0,0,0,0|0,1,0]=3 2941 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_200000210301_206447510565 [1,1,0,0,0,0|1,1,0]=4 2942 B11R1.279 CSc1ccc(c(c1)Cl)SC 62a_206447510565_200000210301 [1,1,0,0,0,0|1,1,0]=4 2943 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [1,1,0,0,0,0|0,1,0]=3 2944 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [1,1,0,0,0,0|0,1,0]=3 2945 B11R1.279 CSc1ccc(c(c1)F)N[13CH3] 34a_100012056844_200025704644 [1,1,0,0,0,0|1,1,0]=4 2946 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100009816902_200000210301 [1,1,0,0,0,0|1,1,0]=4 2947 B11R1.279 CSc1ccc(c(c1)F)SC 62a_100010161220_200000210301 [1,1,0,0,0,0|1,1,0]=4 2948 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100009816902 [1,1,0,0,0,0|1,1,0]=4 2949 B11R1.279 CSc1ccc(c(c1)F)SC 62a_200000210301_100010161220 [1,1,0,0,0,0|1,1,0]=4 2950 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_100009816902_200025704644 [1,1,0,0,0,0|1,1,0]=4 2951 B11R1.279 CSc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100009816902 [1,1,0,0,0,0|1,1,0]=4 2952 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [1,1,0,0,0,0|0,1,0]=3 2953 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [1,1,0,0,0,0|0,1,0]=3 2954 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [1,1,0,0,0,0|0,1,0]=3 2955 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_100000050599_200000210301 [1,1,0,0,0,0|1,1,0]=4 2956 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_200000210301_100000050599 [1,1,0,0,0,0|1,1,0]=4 2957 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_100010064369_200000210301 [1,1,0,0,0,0|1,1,0]=4 2958 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_200000210301_100010064369 [1,1,0,0,0,0|1,1,0]=4 2959 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|0,1,0]=3 2960 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|0,1,0]=3 2961 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,1,0,0,0,0|1,0,0]=3 2962 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_200025704644_206447510565 [1,1,0,0,0,0|1,1,0]=4 2963 B11R1.279 CSc1ccc(cc1Cl)S[13CH3] 62a_206447510565_200025704644 [1,1,0,0,0,0|1,1,0]=4 2964 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|0,1,0]=3 2965 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|0,1,0]=3 2966 B11R1.279 CSc1ccc(cc1F)N[13CH3] 2230a_100000762756_200025704644 [1,1,0,0,0,0|1,1,0]=4 2967 B11R1.279 CSc1ccc(cc1F)N[13CH3] 34a_100000762756_200025704644 [1,1,0,0,0,0|1,1,0]=4 2968 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_100010161220_200025704644 [1,1,0,0,0,0|1,1,0]=4 2969 B11R1.279 CSc1ccc(cc1F)S[13CH3] 62a_200025704644_100010161220 [1,1,0,0,0,0|1,1,0]=4 2970 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|0,1,0]=3 2971 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|0,1,0]=3 2972 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [1,1,0,0,0,0|1,1,0]=4 2973 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [1,1,0,0,0,0|1,1,0]=4 2974 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_100010185443_200000210301 [1,1,0,0,0,0|1,1,0]=4 2975 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_200000210301_100010185443 [1,1,0,0,0,0|1,1,0]=4 2976 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_100010180630_200000210301 [1,1,0,0,0,0|1,1,0]=4 2977 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_200000210301_100010180630 [1,1,0,0,0,0|1,1,0]=4 2978 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [1,1,0,0,0,0|1,1,0]=4 2979 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [1,1,0,0,0,0|1,1,0]=4 2980 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [1,1,0,0,0,0|1,1,0]=4 2981 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [1,1,0,0,0,0|1,1,0]=4 2982 B11R1.279 CSc1ncc(cc1F)C=O 62a_100009866847_200000210301 [1,1,0,0,0,0|1,1,0]=4 2983 B11R1.279 CSc1ncc(cc1F)C=O 62a_200000210301_100009866847 [1,1,0,0,0,0|1,1,0]=4 2984 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2985 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2986 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,1,0,0,0,0|0,1,0]=3 2987 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,1,0,0,0,0|0,1,0]=3 2988 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 2989 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 2990 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|0,0,2]=4 2991 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|0,0,2]=4 2992 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|0,1,0]=3 2993 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|0,1,0]=3 2994 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_100010185443_200025704644 [1,1,0,0,0,0|1,1,0]=4 2995 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010185443 [1,1,0,0,0,0|1,1,0]=4 2996 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [1,1,0,0,0,0|1,1,0]=4 2997 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [1,1,0,0,0,0|1,1,0]=4 2998 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_100000085382_200025704644 [1,1,0,0,0,0|1,1,0]=4 2999 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100000085382 [1,1,0,0,0,0|1,1,0]=4 3000 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [1,1,0,0,0,0|1,1,0]=4 3001 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [1,1,0,0,0,0|1,1,0]=4 3002 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_100000050599_200025704644 [1,1,0,0,0,0|1,1,0]=4 3003 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100000050599 [1,1,0,0,0,0|1,1,0]=4 3004 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [1,1,0,0,0,0|1,1,0]=4 3005 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [1,1,0,0,0,0|1,1,0]=4 3006 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [1,1,0,0,0,0|2,0,0]=4 3007 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|2,0,0]=4 3008 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|2,0,0]=4 3009 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 34a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3010 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 7a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3011 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [1,1,0,0,0,0|0,0,2]=4 3012 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [1,1,0,0,0,0|0,0,2]=4 3013 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 34a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 3014 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 7a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 3015 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,1]=4 3016 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [1,1,0,0,0,0|0,0,2]=4 3017 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [1,1,0,0,0,0|0,0,2]=4 3018 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 34a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 3019 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 7a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 3020 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [1,1,0,0,0,0|0,0,2]=4 3021 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [1,1,0,0,0,0|0,0,2]=4 3022 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 3023 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 3024 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|0,0,2]=4 3025 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|0,0,2]=4 3026 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 3027 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 3028 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 3029 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 3030 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|1,0,1]=4 3031 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 3032 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 3033 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3034 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 3035 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|0,0,2]=4 3036 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_100000050503_200025704644 [1,1,0,0,0,0|1,1,0]=4 3037 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_200025704644_100000050503 [1,1,0,0,0,0|1,1,0]=4 3038 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [1,1,0,0,0,0|0,1,0]=3 3039 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [1,1,0,0,0,0|0,1,0]=3 3040 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [1,1,0,0,0,0|0,1,0]=3 3041 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [1,1,0,0,0,0|0,1,0]=3 3042 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [1,1,0,0,0,0|0,1,0]=3 3043 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [1,1,0,0,0,0|0,1,0]=3 3044 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [1,1,0,0,0,0|0,1,0]=3 3045 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [1,1,0,0,0,0|0,1,0]=3 3046 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [1,1,0,0,0,0|0,1,0]=3 3047 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_100010064369_200025704644 [1,1,0,0,0,0|1,1,0]=4 3048 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_200025704644_100010064369 [1,1,0,0,0,0|1,1,0]=4 3049 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|0,1,0]=3 3050 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|0,1,0]=3 3051 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|0,1,0]=3 3052 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|0,1,0]=3 3053 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_100010180630_200025704644 [1,1,0,0,0,0|1,1,0]=4 3054 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_200025704644_100010180630 [1,1,0,0,0,0|1,1,0]=4 3055 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_100009866847_200025704644 [1,1,0,0,0,0|1,1,0]=4 3056 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_200025704644_100009866847 [1,1,0,0,0,0|1,1,0]=4 3057 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [1,1,0,0,0,0|1,0,1]=4 3058 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [1,1,0,0,0,0|1,0,1]=4 3059 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|0,0,2]=4 3060 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [1,1,0,0,0,0|1,0,1]=4 3061 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|1,0,0]=3 3062 B11R1.19 CS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_100009814649 [1,1,0,0,0,0|2,0,0]=4 3063 B11R1.19 CS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100009816761 [1,1,0,0,0,0|2,0,0]=4 3064 B11R1.19 C[Si](C)(C)c1ccc(cc1)O 271570a_203496583355_100009813420 [1,1,0,0,0,0|1,1,0]=4 3065 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [1,1,0,0,0,0|2,0,0]=4 3066 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [1,1,0,0,0,0|2,0,0]=4 3067 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [1,1,0,0,0,0|2,0,0]=4 3068 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [1,1,0,0,0,0|2,0,0]=4 3069 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [1,1,0,0,0,0|2,0,0]=4 3070 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [1,1,0,0,0,0|2,0,0]=4 3072 B11R1.21 C=C(C)c1ccc([n+](c1)[O-])C 271570a_100000694244_100000703231 [1,1,0,0,0,0|2,0,0]=4 3073 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [1,1,0,0,0,0|2,0,0]=4 3074 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [1,1,0,0,0,0|1,0,0]=3 3075 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [1,1,0,0,0,0|2,0,0]=4 3076 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [1,1,0,0,0,0|2,0,0]=4 3077 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [1,1,0,0,0,0|2,0,0]=4 3078 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|1,0,0]=3 3079 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [1,1,0,0,0,0|2,0,0]=4 3080 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|1,0,0]=3 3081 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [1,1,0,0,0,0|2,0,0]=4 3082 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [1,1,0,0,0,0|2,0,0]=4 3083 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|2,0,0]=4 3084 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|1,0,0]=3 3085 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [1,1,0,0,0,0|2,0,0]=4 3086 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [1,1,0,0,0,0|1,0,0]=3 3087 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [1,1,0,0,0,0|2,0,0]=4 3088 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [1,1,0,0,0,0|2,0,0]=4 3089 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [1,1,0,0,0,0|2,0,0]=4 3090 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|1,0,0]=3 3091 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [1,1,0,0,0,0|2,0,0]=4 3092 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [1,1,0,0,0,0|1,0,0]=3 3093 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [1,1,0,0,0,0|2,0,0]=4 3095 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [1,1,0,0,0,0|2,0,0]=4 3096 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|1,0,0]=3 3097 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|1,0,0]=3 3099 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [1,1,0,0,0,0|2,0,0]=4 3100 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [1,1,0,0,0,0|2,0,0]=4 3101 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|1,0,0]=3 3103 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|2,0,0]=4 3104 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|1,0,0]=3 3105 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|1,0,0]=3 3109 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [1,1,0,0,0,0|2,0,0]=4 3113 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [1,1,0,0,0,0|2,0,0]=4 3114 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [1,1,0,0,0,0|2,0,0]=4 3115 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.21 C=C(C)c1ccn(c(=O)c1)C 271570a_100000694244_100009820031 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.21 C=C(C)c1cnc(c(c1)C)C 271570a_100000694244_100000697892 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.21 C=C(C)c1cnc(c(c1)F)C 271570a_100000694244_100009845756 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.21 C=C(C)c1cnc(c(c1)N)C 271570a_100000694244_100011999542 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,1,0,0,0,0|1,0,0]=3 3125 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|1,0,0]=3 3126 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|0,0,0]=2 3127 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|1,0,0]=3 3128 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|1,0,0]=3 3129 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|1,0,0]=3 3130 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|0,0,0]=2 3131 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|0,0,0]=2 3132 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|1,0,0]=3 3133 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|0,0,0]=2 3134 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|1,0,0]=3 3135 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|1,0,0]=3 3136 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|1,0,0]=3 3137 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|0,0,0]=2 3138 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|0,0,0]=2 3139 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|1,0,0]=3 3140 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|0,0,0]=2 3141 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|1,0,0]=3 3142 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|1,0,0]=3 3143 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|1,0,0]=3 3144 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|0,0,0]=2 3145 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|1,0,0]=3 3146 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|0,0,0]=2 3147 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|1,0,0]=3 3148 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|1,0,0]=3 3149 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|1,0,0]=3 3150 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|0,0,0]=2 3151 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|0,0,0]=2 3152 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|1,0,0]=3 3153 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|0,0,0]=2 3154 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|1,0,0]=3 3155 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|1,0,0]=3 3156 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|1,0,0]=3 3157 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|0,0,0]=2 3158 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|0,0,0]=2 3159 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|1,0,0]=3 3160 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|1,0,0]=3 3161 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|0,0,0]=2 3162 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|0,0,0]=2 3163 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|1,0,0]=3 3164 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|1,0,0]=3 3165 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|1,0,0]=3 3166 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|1,0,0]=3 3167 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,0]=3 3168 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|0,0,0]=2 3169 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|0,0,0]=2 3170 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,1,0,0,0,0|1,0,0]=3 3171 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [1,1,0,0,0,0|1,0,1]=4 3173 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [1,1,0,0,0,0|1,0,1]=4 3174 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|1,0,0]=3 3175 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|1,0,0]=3 3176 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|1,0,0]=3 3177 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|1,0,0]=3 3178 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|1,0,0]=3 3179 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|0,0,0]=2 3180 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|0,0,0]=2 3182 B11R1.21 Cc1ccc(cc1Br)N(C)C 2230a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.21 Cc1ccc(cc1Br)N(C)C 269982a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.21 Cc1ccc(cc1Br)N(C)C 34a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.21 Cc1ccc(cc1Br)N(C)C 38a_100000707694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 2230a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 269982a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 34a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 38a_100000707694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|0,0,0]=2 3191 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|0,0,0]=2 3192 B11R1.21 Cc1ccc(cc1Cl)N(C)C 2230a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.21 Cc1ccc(cc1Cl)N(C)C 269982a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.21 Cc1ccc(cc1Cl)N(C)C 34a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.21 Cc1ccc(cc1Cl)N(C)C 38a_100000220120_200000210301 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 2230a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 269982a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 34a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 38a_100000220120_200025704644 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|0,0,0]=2 3201 B11R1.21 Cc1ccc(cc1F)N(C)C 2230a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.21 Cc1ccc(cc1F)N(C)C 269982a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.21 Cc1ccc(cc1F)N(C)C 34a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.21 Cc1ccc(cc1F)N(C)C 38a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.21 Cc1ccc(cc1F)N(C)C 7a_100160572069_200000210301 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 2230a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 269982a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 34a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 38a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 7a_100160572069_200025704644 [1,1,0,0,0,0|2,0,0]=4 3211 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|0,0,0]=2 3212 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|1,0,0]=3 3213 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|0,0,0]=2 3214 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|1,0,0]=3 3215 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|1,0,0]=3 3216 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 3217 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|1,0,0]=3 3218 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|1,0,0]=3 3219 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|1,0,0]=3 3220 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|1,0,0]=3 3221 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|1,0,0]=3 3222 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|0,0,0]=2 3223 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|1,0,0]=3 3224 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|1,0,0]=3 3225 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|1,0,0]=3 3226 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|1,0,0]=3 3227 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|0,0,0]=2 3228 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|1,0,0]=3 3229 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|1,0,0]=3 3230 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|1,0,0]=3 3231 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|1,0,0]=3 3232 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|0,0,0]=2 3233 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|1,0,0]=3 3234 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|1,0,0]=3 3235 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|1,0,0]=3 3236 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|1,0,0]=3 3237 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|0,0,0]=2 3238 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|1,0,0]=3 3239 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|1,0,0]=3 3240 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|1,0,0]=3 3241 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|1,0,0]=3 3242 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|0,0,0]=2 3243 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|1,0,1]=4 3244 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|1,0,0]=3 3245 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|0,0,0]=2 3246 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|1,0,0]=3 3247 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|1,0,0]=3 3248 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|1,0,0]=3 3249 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|0,0,0]=2 3250 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|0,0,0]=2 3251 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|1,0,0]=3 3252 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|1,0,1]=4 3254 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|0,0,2]=4 3255 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 3256 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,1]=4 3273 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 3275 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|1,0,0]=3 3276 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 3277 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 3278 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 3279 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|0,0,0]=2 3280 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|0,0,0]=2 3281 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|0,0,0]=2 3282 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|0,0,0]=2 3283 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|1,0,0]=3 3284 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 3285 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 3286 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 3287 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|1,0,0]=3 3288 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 3289 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 3290 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 3291 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|1,0,0]=3 3292 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 3293 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 3294 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 3295 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|0,0,0]=2 3296 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|0,0,0]=2 3297 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|0,0,0]=2 3298 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|1,0,0]=3 3299 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|1,0,0]=3 3300 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [1,1,0,0,0,0|2,0,0]=4 3301 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|1,0,1]=4 3302 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|1,0,1]=4 3303 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|1,0,1]=4 3304 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|1,0,1]=4 3305 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|1,0,1]=4 3306 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|1,0,1]=4 3307 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|1,0,1]=4 3308 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|1,0,1]=4 3309 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|0,0,0]=2 3310 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|1,0,0]=3 3311 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|1,0,0]=3 3312 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [1,1,0,0,0,0|2,0,0]=4 3313 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|0,0,2]=4 3317 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|0,0,2]=4 3318 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|0,0,2]=4 3319 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|0,0,2]=4 3320 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|0,1,1]=4 3321 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|0,1,1]=4 3322 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|1,0,1]=4 3323 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|0,0,0]=2 3324 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|0,1,1]=4 3325 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|0,1,1]=4 3326 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 3327 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 3328 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|1,0,1]=4 3329 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|1,0,1]=4 3330 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|0,0,2]=4 3331 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|0,0,2]=4 3332 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|0,0,1]=3 3333 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,1]=4 3334 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|0,0,0]=2 3335 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|0,0,2]=4 3336 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|1,0,0]=3 3337 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [1,1,0,0,0,0|2,0,0]=4 3338 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [1,1,0,0,0,0|2,0,0]=4 3339 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|1,0,0]=3 3340 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|1,0,0]=3 3341 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|1,0,0]=3 3342 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|1,0,0]=3 3343 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|0,0,0]=2 3344 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|0,0,0]=2 3345 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,1]=3 3346 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|0,0,2]=4 3347 B11R1.166 C=C(C)c1ccc(c[n+]1[O-])C 271570a_100000694244_100009819918 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,1,0,0,0,0|1,0,0]=3 3350 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [1,1,0,0,0,0|2,0,0]=4 3351 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|1,0,0]=3 3354 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,1,0,0,0,0|1,0,0]=3 3356 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [1,1,0,0,0,0|2,0,0]=4 3358 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|1,0,0]=3 3360 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,1,0,0,0,0|1,0,0]=3 3362 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [1,1,0,0,0,0|2,0,0]=4 3363 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [1,1,0,0,0,0|2,0,0]=4 3364 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [1,1,0,0,0,0|2,0,0]=4 3365 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|1,0,0]=3 3366 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [1,1,0,0,0,0|2,0,0]=4 3367 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,1,0,0,0,0|1,0,0]=3 3368 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [1,1,0,0,0,0|2,0,0]=4 3369 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [1,1,0,0,0,0|2,0,0]=4 3370 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [1,1,0,0,0,0|2,0,0]=4 3371 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|1,0,0]=3 3372 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [1,1,0,0,0,0|2,0,0]=4 3373 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,1,0,0,0,0|1,0,0]=3 3374 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [1,1,0,0,0,0|2,0,0]=4 3375 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [1,1,0,0,0,0|2,0,0]=4 3376 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|1,0,0]=3 3378 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|1,0,0]=3 3380 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,1,0,0,0,0|2,0,0]=4 3381 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,1,0,0,0,0|2,0,0]=4 3382 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|1,0,0]=3 3383 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [1,1,0,0,0,0|2,0,0]=4 3385 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.166 C=C(C)c1ccc(nc1F)O 271570a_100000694244_100009879308 [1,1,0,0,0,0|2,0,0]=4 3387 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [1,1,0,0,0,0|2,0,0]=4 3389 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.166 C=C(C)c1cnc(cc1N)C 271570a_100000694244_100009817891 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [1,1,0,0,0,0|2,0,0]=4 3393 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [1,1,0,0,0,0|2,0,0]=4 3394 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [1,1,0,0,0,0|2,0,0]=4 3395 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [1,1,0,0,0,0|2,0,0]=4 3396 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [1,1,0,0,0,0|2,0,0]=4 3397 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [1,1,0,0,0,0|2,0,0]=4 3398 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|1,0,0]=3 3400 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|0,0,0]=2 3401 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|1,0,0]=3 3402 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|1,0,0]=3 3403 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|1,0,0]=3 3404 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|0,0,0]=2 3405 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|1,0,0]=3 3406 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|0,0,0]=2 3407 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|1,0,0]=3 3408 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|1,0,0]=3 3409 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|1,0,0]=3 3410 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|0,0,0]=2 3411 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|0,0,0]=2 3412 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|1,0,0]=3 3413 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|0,0,0]=2 3414 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|1,0,0]=3 3415 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3416 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|1,0,0]=3 3417 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|0,0,0]=2 3418 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|1,0,0]=3 3419 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|0,0,0]=2 3420 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|1,0,0]=3 3421 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|1,0,0]=3 3422 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|1,0,0]=3 3423 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|0,0,0]=2 3424 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|0,0,0]=2 3425 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|1,0,0]=3 3426 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|0,0,0]=2 3427 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|1,0,0]=3 3428 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|1,0,0]=3 3429 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|0,0,0]=2 3430 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|1,0,0]=3 3431 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|0,0,0]=2 3432 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|0,0,0]=2 3433 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|1,0,0]=3 3434 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|1,0,0]=3 3435 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|1,0,0]=3 3436 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|1,0,0]=3 3437 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|0,0,0]=2 3438 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|0,0,0]=2 3439 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|0,0,0]=2 3440 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,1,0,0,0,0|1,0,0]=3 3441 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [1,1,0,0,0,0|1,0,1]=4 3442 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 3444 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|1,0,0]=3 3445 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|1,0,0]=3 3446 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|1,0,0]=3 3447 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|1,0,0]=3 3448 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|0,0,0]=2 3449 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [1,1,0,0,0,0|2,0,0]=4 3452 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [1,1,0,0,0,0|2,0,0]=4 3453 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 3454 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|0,0,0]=2 3455 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 2230a_100000221369_200000210301 [1,1,0,0,0,0|2,0,0]=4 3456 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 269982a_100000221369_200000210301 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 34a_100000221369_200000210301 [1,1,0,0,0,0|2,0,0]=4 3458 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 2230a_100000221369_200025704644 [1,1,0,0,0,0|2,0,0]=4 3459 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 269982a_100000221369_200025704644 [1,1,0,0,0,0|2,0,0]=4 3460 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 34a_100000221369_200025704644 [1,1,0,0,0,0|2,0,0]=4 3461 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|0,0,0]=2 3462 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|0,0,0]=2 3463 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|0,0,0]=2 3464 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|0,0,0]=2 3465 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|0,0,0]=2 3466 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 3469 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 3470 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 3471 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|2,0,0]=4 3472 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|2,0,0]=4 3473 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|1,0,0]=3 3474 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 3475 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 3476 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 3477 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|1,0,0]=3 3478 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|1,0,0]=3 3479 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|1,0,0]=3 3480 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|1,0,0]=3 3481 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|0,0,0]=2 3482 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|1,0,0]=3 3483 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|1,0,0]=3 3484 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|1,0,0]=3 3485 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|1,0,0]=3 3486 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|0,0,0]=2 3487 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|1,0,0]=3 3488 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|1,0,0]=3 3489 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|1,0,0]=3 3490 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|1,0,0]=3 3491 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|0,0,0]=2 3492 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|1,0,0]=3 3493 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|1,0,0]=3 3494 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|1,0,0]=3 3495 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|1,0,0]=3 3496 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|1,0,0]=3 3497 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|1,0,0]=3 3498 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|1,0,0]=3 3499 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|0,0,0]=2 3500 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,1,0,0,1,0|1,1,0]=4 3501 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,1,0,0,1,0|1,1,0]=4 3502 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,1,0,0,1,0|1,1,0]=4 3503 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,1,0,0,1,0|1,1,0]=4 3504 B11R1.44 CNC(=O)c1ccc(o1)SC 62a_200000210301_100000159859 [0,1,0,0,1,0|1,1,0]=4 3505 B11R1.44 CNC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000159859 [0,1,0,0,1,0|1,1,0]=4 3506 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,1,0,0,1,0|1,1,0]=4 3507 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,1,0,0,1,0|1,1,0]=4 3508 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,1,0,0,1,0|1,1,0]=4 3509 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,1,0,0,1,0|1,1,0]=4 3510 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,1,0,0,1,0|1,1,0]=4 3511 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,1,0,0,1,0|1,1,0]=4 3512 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,1,0,0,1,0|1,1,0]=4 3513 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,1,0,0,1,0|1,1,0]=4 3514 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,1,0,0,1,0|1,1,0]=4 3515 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,1,0,0,1,0|1,1,0]=4 3516 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,1,0,0,1,0|1,1,0]=4 3517 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,1,0,0,1,0|1,1,0]=4 3518 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,1,0,0,1,0|1,1,0]=4 3519 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,1,0,0,1,0|1,1,0]=4 3520 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,1,0,0,1,0|1,1,0]=4 3521 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,1,0,0,1,0|1,1,0]=4 3522 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,1,0,0,1,0|1,1,0]=4 3523 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,1,0,0,1,0|1,1,0]=4 3524 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,1,0,0,1,0|1,1,0]=4 3525 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,1,0,0,1,0|1,1,0]=4 3526 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,1,0,0,1,0|1,1,0]=4 3527 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,1,0,0,1,0|1,1,0]=4 3528 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,1,0,0,1,0|1,1,0]=4 3529 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,1,0,0,1,0|1,1,0]=4 3530 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,1,0,0,1,0|1,1,0]=4 3531 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,1,0,0,1,0|1,1,0]=4 3532 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,1,0,0,1,0|1,1,0]=4 3533 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,1,0,0,1,0|1,1,0]=4 3534 B11R1.48 CC(=O)c1cc(c(s1)S[13CH3])C 62a_100000729792_200025704644 [0,1,0,0,1,0|1,1,0]=4 3535 B11R1.48 CC(=O)c1cc(c(s1)S[13CH3])C 62a_200025704644_100000729792 [0,1,0,0,1,0|1,1,0]=4 3536 B11R1.48 CSc1sc(cc1C)C(=O)C 62a_100000729792_200000210301 [0,1,0,0,1,0|1,1,0]=4 3537 B11R1.48 CSc1sc(cc1C)C(=O)C 62a_200000210301_100000729792 [0,1,0,0,1,0|1,1,0]=4 3538 B11R1.124 C=C(C)c1csc(c1)COC 271570a_100000694244_100011542528 [0,1,0,0,1,0|2,0,0]=4 3539 B11R1.124 CC(=O)c1cc(cs1)CS[13CH3] 62a_200000067479_200025704644 [0,1,0,0,1,0|1,1,0]=4 3540 B11R1.124 CC(=O)c1cc(cs1)CS[13CH3] 62a_200025704644_200000067479 [0,1,0,0,1,0|1,1,0]=4 3541 B11R1.124 CC(=O)c1cc(cs1)SCF 62a_100000718618_100015361967 [0,1,0,0,1,0|1,1,0]=4 3542 B11R1.124 CC(=O)c1cc(cs1)SCF 62a_100015361967_100000718618 [0,1,0,0,1,0|1,1,0]=4 3543 B11R1.124 CC(=O)c1ccc([nH]1)SCF 62a_200010494458_100015361967 [0,1,0,0,1,0|1,1,0]=4 3544 B11R1.124 CC(=O)c1ccc(o1)SCF 62a_100015361967_100000229899 [0,1,0,0,1,0|1,1,0]=4 3545 B11R1.124 CC(=O)c1ccc(s1)SCF 62a_100000183331_100015361967 [0,1,0,0,1,0|1,1,0]=4 3546 B11R1.124 CC(=O)c1ccc(s1)SCF 62a_100015361967_200000034408 [0,1,0,0,1,0|1,1,0]=4 3547 B11R1.124 CC(=O)c1csc(c1)SCF 62a_100015361967_200012344231 [0,1,0,0,1,0|1,1,0]=4 3548 B11R1.124 CC(=O)c1csc(c1)SCF 62a_200012344231_100015361967 [0,1,0,0,1,0|1,1,0]=4 3549 B11R1.124 CC=Cc1cc(cs1)C(=O)C 271570a_100016259895_200012344231 [0,1,0,0,1,0|2,0,0]=4 3550 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,1,0,0,1,0|2,0,0]=4 3551 B11R1.124 CC=Cc1ccc(o1)C(=O)C 271570a_100016259895_100000229899 [0,1,0,0,1,0|2,0,0]=4 3552 B11R1.124 CC=Cc1ccc(s1)C(=O)C 271570a_100016259895_100000183331 [0,1,0,0,1,0|2,0,0]=4 3553 B11R1.124 CC=Cc1csc(c1)C(=O)C 271570a_100016259895_100000718618 [0,1,0,0,1,0|2,0,0]=4 3554 B11R1.124 CCSc1cc(cs1)C(=O)C 62a_100000210202_200012344231 [0,1,0,0,1,0|1,1,0]=4 3555 B11R1.124 CCSc1cc(cs1)C(=O)C 62a_200012344231_100000210202 [0,1,0,0,1,0|1,1,0]=4 3556 B11R1.124 CCSc1ccc([nH]1)C(=O)C 62a_200010494458_100000210202 [0,1,0,0,1,0|1,1,0]=4 3557 B11R1.124 CCSc1ccc(o1)C(=O)C 62a_100000210202_100000229899 [0,1,0,0,1,0|1,1,0]=4 3558 B11R1.124 CCSc1ccc(s1)C(=O)C 62a_100000183331_100000210202 [0,1,0,0,1,0|1,1,0]=4 3559 B11R1.124 CCSc1ccc(s1)C(=O)C 62a_100000210202_200000034408 [0,1,0,0,1,0|1,1,0]=4 3560 B11R1.124 CCSc1csc(c1)C(=O)C 62a_100000210202_100000718618 [0,1,0,0,1,0|1,1,0]=4 3561 B11R1.124 CCSc1csc(c1)C(=O)C 62a_100000718618_100000210202 [0,1,0,0,1,0|1,1,0]=4 3562 B11R1.124 CNCc1csc(c1)C(=O)C 2230a_106832991635_200000067479 [0,1,0,0,1,0|2,0,0]=4 3563 B11R1.124 CNCc1csc(c1)C(=O)C 34a_100102657272_200000067479 [0,1,0,0,1,0|2,0,0]=4 3564 B11R1.124 CNCc1csc(c1)C(=O)C 7a_106832991635_200000067479 [0,1,0,0,1,0|2,0,0]=4 3565 B11R1.124 COCc1csc(c1)C(=O)C 34a_100138415774_200000067479 [0,1,0,0,1,0|1,0,0]=3 3566 B11R1.124 CSCc1csc(c1)C(=O)C 62a_200000067479_200000210301 [0,1,0,0,1,0|1,1,0]=4 3567 B11R1.124 CSCc1csc(c1)C(=O)C 62a_200000210301_200000067479 [0,1,0,0,1,0|1,1,0]=4 3568 B11R1.175 C=C(C)c1cc(cs1)C(=O)C 271570a_100000694244_200012344231 [0,1,0,0,1,0|2,0,0]=4 3569 B11R1.175 C=C(C)c1ccc([nH]1)C(=O)C 271570a_100000694244_200010494458 [0,1,0,0,1,0|2,0,0]=4 3570 B11R1.175 C=C(C)c1ccc(o1)C(=O)C 271570a_100000694244_100000229899 [0,1,0,0,1,0|2,0,0]=4 3571 B11R1.175 C=C(C)c1ccc(s1)C(=O)C 271570a_100000694244_100000183331 [0,1,0,0,1,0|2,0,0]=4 3572 B11R1.175 C=C(C)c1csc(c1)C(=O)C 271570a_100000694244_100000718618 [0,1,0,0,1,0|2,0,0]=4 3573 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200010235672_200025704644 [0,1,0,0,1,0|1,1,0]=4 3574 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200025704644_200010235672 [0,1,0,0,1,0|1,1,0]=4 3575 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200000210301_200010235672 [0,1,0,0,1,0|1,1,0]=4 3576 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200010235672_200000210301 [0,1,0,0,1,0|1,1,0]=4 3577 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 34a_100000061920_200025704644 [0,1,0,0,0,1|1,0,1]=4 3578 B13R1.4 CC(C)(C)Oc1ccc(cc1)O[13CH3] 7a_100000061920_200025704644 [0,1,0,0,0,1|1,0,1]=4 3579 B13R1.4 CCc1ccc(cc1)NS(=O)(=O)C 40a_100000211069_100000738038 [0,1,0,0,0,1|2,0,0]=4 3580 B13R1.4 CNc1ccc(cc1)CS(=O)(=O)C 2230a_100000747337_200000210301 [0,1,0,0,0,1|2,0,0]=4 3581 B13R1.4 CNc1ccc(cc1)CS(=O)(=O)C 34a_100000747337_200000210301 [0,1,0,0,0,1|2,0,0]=4 3582 B13R1.4 CNc1ccc(cc1)NS(=O)(=O)C 34a_100011191326_200000210301 [0,1,0,0,0,1|2,0,0]=4 3583 B13R1.4 COc1ccc(cc1)NC(C)(C)C 34a_100000184247_100000210625 [0,1,0,0,0,1|1,0,1]=4 3584 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 34a_100000165719_200000210301 [0,1,0,0,0,1|1,0,0]=3 3585 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 40a_100000184247_100000738038 [0,1,0,0,0,1|1,0,0]=3 3586 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000061920_200000210301 [0,1,0,0,0,1|1,0,1]=4 3587 B13R1.4 COc1ccc(cc1)OC(C)(C)C 34a_100000210503_100000210625 [0,1,0,0,0,1|1,0,1]=4 3588 B13R1.4 COc1ccc(cc1)OC(C)(C)C 7a_100000061920_200000210301 [0,1,0,0,0,1|1,0,1]=4 3589 B13R1.4 COc1ccc(cc1)SC(C)(C)C 62a_100000211941_100000171711 [0,1,0,0,0,1|1,0,1]=4 3590 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000747337_200025704644 [0,1,0,0,0,1|2,0,0]=4 3591 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)N[13CH3] 34a_100000747337_200025704644 [0,1,0,0,0,1|2,0,0]=4 3592 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)S[13CH3] 62a_100009814647_200025704644 [0,1,0,0,0,1|1,1,0]=4 3593 B13R1.4 CS(=O)(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100009814647 [0,1,0,0,0,1|1,1,0]=4 3594 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)N[13CH3] 34a_100011191326_200025704644 [0,1,0,0,0,1|2,0,0]=4 3595 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)O[13CH3] 34a_100000165719_200025704644 [0,1,0,0,0,1|1,0,0]=3 3596 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)S[13CH3] 62a_200000165602_200025704644 [0,1,0,0,0,1|1,1,0]=4 3597 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_200000165602 [0,1,0,0,0,1|1,1,0]=4 3598 B13R1.4 CSc1ccc(cc1)CS(=O)(=O)C 62a_100009814647_200000210301 [0,1,0,0,0,1|1,1,0]=4 3599 B13R1.4 CSc1ccc(cc1)CS(=O)(=O)C 62a_200000210301_100009814647 [0,1,0,0,0,1|1,1,0]=4 3600 B13R1.4 CSc1ccc(cc1)NS(=O)(=O)C 40a_100000212337_100000738038 [0,1,0,0,0,1|1,1,0]=4 3601 B13R1.4 CSc1ccc(cc1)NS(=O)(=O)C 62a_200000165602_200000210301 [0,1,0,0,0,1|1,1,0]=4 3602 B13R1.4 CSc1ccc(cc1)NS(=O)(=O)C 62a_200000210301_200000165602 [0,1,0,0,0,1|1,1,0]=4 3603 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,1,0,0,0,1|1,0,1]=4 3604 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,1,0,0,0,1|0,1,1]=4 3605 B13R1.5 C#CC(=O)Cc1ccc(cn1)OC 1458a_100000211873_200000757186 [0,1,0,0,0,1|1,0,1]=4 3606 B13R1.5 C#CC(=O)Cc1ccc(nc1)OC 1458a_100000211873_100020631284 [0,1,0,0,0,1|1,0,1]=4 3607 B13R1.5 C#CC(C)Nc1ccc(cc1)OC 34a_100000184247_200000035995 [0,1,0,0,0,1|1,0,1]=4 3608 B13R1.5 C#CC(C)Oc1ccc(cc1)OC 34a_100000210503_200000035995 [0,1,0,0,0,1|1,0,1]=4 3609 B13R1.5 C#CC(C)Sc1ccc(cc1)OC 62a_200000035995_100000171711 [0,1,0,0,0,1|1,0,1]=4 3610 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000140223 [0,1,0,0,0,1|1,0,1]=4 3611 B13R1.5 C#Cc1ccc(cc1)CC(=O)CC 1458a_200009884166_100000210202 [0,1,0,0,0,1|1,0,1]=4 3612 B13R1.5 C#Cc1ccc(cc1)CC(=O)CF 1458a_200009884166_100015361967 [0,1,0,0,0,1|1,0,1]=4 3613 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,1,0,0,0,1|1,0,1]=4 3614 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 11a_106832991635_200009884166 [0,1,0,0,0,1|1,0,1]=4 3615 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 1626a_100102657272_200009884166 [0,1,0,0,0,1|1,0,1]=4 3616 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 240690a_100102657272_200009884166 [0,1,0,0,0,1|1,0,1]=4 3617 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 527a_100102657272_200009884166 [0,1,0,0,0,1|1,0,1]=4 3618 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 11a_100011215031_100000210414 [0,1,0,0,0,1|1,0,1]=4 3619 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 1626a_100011215031_100000210414 [0,1,0,0,0,1|1,0,1]=4 3620 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 22a_100011215031_100000210414 [0,1,0,0,0,1|1,0,1]=4 3621 B13R1.5 C#Cc1ccc(cc1)NC(=O)CC 527a_100011215031_100000210414 [0,1,0,0,0,1|1,0,1]=4 3622 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 22a_100011215031_100000210174 [0,1,0,0,0,1|1,0,1]=4 3623 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 527a_100011215031_100000210174 [0,1,0,0,0,1|1,0,1]=4 3624 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 2430a_100011215031_100102657272 [0,1,0,0,0,1|1,0,1]=4 3625 B13R1.5 C#Cc1ccc(cc1)NC(=O)NC 512a_100011215031_100102657272 [0,1,0,0,0,1|1,0,1]=4 3626 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,0,0,0,1|1,0,1]=4 3627 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,1,0,0,0,1|0,1,1]=4 3628 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,1,0,0,0,1|1,0,1]=4 3629 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,1,0,0,0,1|1,0,1]=4 3630 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,0,0,0,1|1,0,1]=4 3631 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,0,0,0,1|1,0,1]=4 3632 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,1,0,0,0,1|0,0,1]=3 3633 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,1,0,0,0,1|0,0,1]=3 3634 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,1,0,0,0,1|0,0,1]=3 3635 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,1,0,0,0,1|0,0,1]=3 3636 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,1,0,0,0,1|0,1,1]=4 3637 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,1,0,0,0,1|1,0,1]=4 3638 B13R1.5 C=Cc1ccc(cc1)CC(=O)CC 1458a_100000210414_100000034074 [0,1,0,0,0,1|1,0,1]=4 3639 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,1,0,0,0,1|1,0,1]=4 3640 B13R1.5 C=Cc1ccc(cc1)CC(=O)NC 271570a_100011290941_100000155101 [0,1,0,0,0,1|1,0,1]=4 3641 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,1,0,0,0,1|1,0,1]=4 3642 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 11a_100011218248_100000210414 [0,1,0,0,0,1|1,0,1]=4 3643 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 1626a_100011218248_100000210414 [0,1,0,0,0,1|1,0,1]=4 3644 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 22a_100011218248_100000210414 [0,1,0,0,0,1|1,0,1]=4 3645 B13R1.5 C=Cc1ccc(cc1)NC(=O)CC 527a_100011218248_100000210414 [0,1,0,0,0,1|1,0,1]=4 3646 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 22a_100011218248_100000210174 [0,1,0,0,0,1|1,0,1]=4 3647 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 527a_100011218248_100000210174 [0,1,0,0,0,1|1,0,1]=4 3648 B13R1.5 C=Cc1ccc(cc1)NC(=O)NC 2430a_100011218248_100102657272 [0,1,0,0,0,1|1,0,1]=4 3649 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,1,0,0,0,1|1,0,1]=4 3650 B13R1.5 C=Cc1ccc(cc1)OC(=O)CC 271570a_100011290941_200009811598 [0,1,0,0,0,1|1,0,1]=4 3651 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000210414_100000184898 [0,1,0,0,0,1|2,0,0]=4 3652 B13R1.5 CCC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_100000210202 [0,1,0,0,0,1|2,0,0]=4 3653 B13R1.5 CCC(=O)Cc1ccc(cc1)C=O 1458a_100000210414_100000075337 [0,1,0,0,0,1|2,0,0]=4 3654 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,1,0,0,0,1|1,0,0]=3 3655 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,1,0,0,0,1|1,0,0]=3 3656 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,1,0,0,0,1|2,0,0]=4 3657 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,1,0,0,0,1|2,0,0]=4 3658 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,1,0,0,0,1|0,0,0]=2 3659 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,1,0,0,0,1|0,1,0]=3 3660 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,1,0,0,0,1|0,1,0]=3 3661 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,1,0,0,0,1|1,0,0]=3 3662 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,1,0,0,0,1|1,0,0]=3 3663 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,1,0,0,0,1|1,0,0]=3 3664 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,1,0,0,0,1|1,0,0]=3 3665 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100000210414 [0,1,0,0,0,1|2,0,0]=4 3666 B13R1.5 CCC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100000210414 [0,1,0,0,0,1|2,0,0]=4 3667 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,1,0,0,0,1|1,0,0]=3 3668 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,1,0,0,0,1|1,0,0]=3 3669 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,1,0,0,0,1|1,0,0]=3 3670 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,1,0,0,0,1|1,0,0]=3 3671 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,1,0,0,0,1|2,0,0]=4 3672 B13R1.5 CCC(=O)Nc1ccc(cc1)NC 34a_100000186511_200000210301 [0,1,0,0,0,1|1,0,0]=3 3673 B13R1.5 CCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000186511_200025704644 [0,1,0,0,0,1|1,0,0]=3 3674 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,1,0,0,0,1|0,0,0]=2 3675 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,1,0,0,0,1|0,0,0]=2 3676 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,1,0,0,0,1|0,0,0]=2 3677 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,1,0,0,0,1|0,0,0]=2 3678 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,1,0,0,0,1|0,0,0]=2 3679 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,1,0,0,0,1|0,0,0]=2 3680 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,1,0,0,0,1|0,0,0]=2 3681 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,1,0,0,0,1|0,0,0]=2 3682 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210414 [0,1,0,0,0,1|0,1,0]=3 3683 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210414 [0,1,0,0,0,1|0,1,0]=3 3684 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210414 [0,1,0,0,0,1|0,1,0]=3 3685 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,1,0,0,0,1|0,1,0]=3 3686 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,1,0,0,0,1|0,1,0]=3 3687 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,1,0,0,0,1|1,0,1]=4 3688 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,1,0,0,0,1|1,0,1]=4 3689 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,1,0,0,0,1|1,0,1]=4 3690 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000210202 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000225621_100000742318 [0,1,0,0,0,1|2,0,0]=4 3692 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000741509_200000210301 [0,1,0,0,0,1|2,0,0]=4 3693 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000204670 [0,1,0,0,0,1|2,0,0]=4 3694 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000225621_100000742318 [0,1,0,0,0,1|2,0,0]=4 3695 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000741509_200000210301 [0,1,0,0,0,1|2,0,0]=4 3696 B13R1.5 CCN(C)Cc1ccc(cc1)OC 26a_100000225621_100000210503 [0,1,0,0,0,1|2,0,0]=4 3697 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 2230a_100000741509_200025704644 [0,1,0,0,0,1|2,0,0]=4 3698 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 269982a_100000741509_200025704644 [0,1,0,0,0,1|2,0,0]=4 3699 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,1,0,0,0,1|1,0,0]=3 3700 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,1,0,0,0,1|1,0,0]=3 3701 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,1,0,0,0,1|1,0,0]=3 3702 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,1,0,0,0,1|1,0,0]=3 3703 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,1,0,0,0,1|1,0,0]=3 3704 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,1,0,0,0,1|1,0,0]=3 3705 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,1,0,0,0,1|1,0,0]=3 3706 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,1,0,0,0,1|1,0,0]=3 3707 B13R1.5 CCc1ccc(cc1)NC(=O)NC 2430a_100000211069_100102657272 [0,1,0,0,0,1|1,0,0]=3 3708 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 11a_106832991635_100000748677 [0,1,0,0,0,1|2,0,0]=4 3709 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1626a_100102657272_100000748677 [0,1,0,0,0,1|2,0,0]=4 3710 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 240690a_100102657272_100000748677 [0,1,0,0,0,1|2,0,0]=4 3711 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 527a_100102657272_100000748677 [0,1,0,0,0,1|2,0,0]=4 3712 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,1,0,0,0,1|2,0,0]=4 3713 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,1,0,0,0,1|1,0,0]=3 3714 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,1,0,0,0,1|1,0,0]=3 3715 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,1,0,0,0,1|1,0,0]=3 3716 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,1,0,0,0,1|1,0,0]=3 3717 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,1,0,0,0,1|0,0,0]=2 3718 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,1,0,0,0,1|0,0,0]=2 3719 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,1,0,0,0,1|0,0,0]=2 3720 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,1,0,0,0,1|0,0,0]=2 3721 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,1,0,0,0,1|0,0,0]=2 3722 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,1,0,0,0,1|0,1,0]=3 3723 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,1,0,0,0,1|0,1,0]=3 3724 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,1,0,0,0,1|0,1,0]=3 3725 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,1,0,0,0,1|0,1,0]=3 3726 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,1,0,0,0,1|0,1,0]=3 3727 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,1,0,0,0,1|0,1,0]=3 3728 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,1,0,0,0,1|0,1,0]=3 3729 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,1,0,0,0,1|0,1,0]=3 3730 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,1,0,0,0,1|1,0,0]=3 3731 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,1,0,0,0,1|1,0,0]=3 3732 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,1,0,0,0,1|1,0,0]=3 3733 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,1,0,0,0,1|1,0,0]=3 3734 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,1,0,0,0,1|1,0,0]=3 3735 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,1,0,0,0,1|1,0,0]=3 3736 B13R1.5 CNC(=O)Nc1ccc(cc1)C#N 2430a_100000185469_100102657272 [0,1,0,0,0,1|2,0,0]=4 3737 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,1,0,0,0,1|2,0,0]=4 3738 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,1,0,0,0,1|0,0,0]=2 3739 B13R1.5 CNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100102657272 [0,1,0,0,0,1|0,1,0]=3 3740 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,1,0,0,0,1|1,0,1]=4 3741 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,1,0,0,0,1|1,0,0]=3 3742 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,1,0,0,0,1|0,0,0]=2 3743 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,1,0,0,0,1|0,0,0]=2 3744 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,1,0,0,0,1|0,1,0]=3 3745 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,1,0,0,0,1|0,1,0]=3 3746 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,1,0,0,0,1|0,1,0]=3 3747 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,1,0,0,0,1|0,1,0]=3 3748 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_100012362609_200000210301 [0,1,0,0,0,1|1,1,0]=4 3749 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012362609 [0,1,0,0,0,1|1,1,0]=4 3750 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012362609_200025704644 [0,1,0,0,0,1|1,1,0]=4 3751 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012362609 [0,1,0,0,0,1|1,1,0]=4 3752 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_100000071674_200000210301 [0,1,0,0,0,1|1,1,0]=4 3753 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071674 [0,1,0,0,0,1|1,1,0]=4 3754 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071674_200025704644 [0,1,0,0,0,1|1,1,0]=4 3755 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071674 [0,1,0,0,0,1|1,1,0]=4 3756 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,1,0,0,0,1|0,0,0]=2 3757 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,1,0,0,0,1|0,0,0]=2 3758 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,1,0,0,0,1|0,1,0]=3 3759 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,1,0,0,0,1|0,1,0]=3 3760 B13R1.5 COC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000188976 [0,1,0,0,0,1|1,1,0]=4 3761 B13R1.5 COC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000188976 [0,1,0,0,0,1|1,1,0]=4 3762 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,1,0,0,0,1|0,0,0]=2 3763 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,1,0,0,0,1|1,0,0]=3 3764 B13R1.5 COc1ccc(cc1)CN(C)CF 269982a_100000184145_100015361967 [0,1,0,0,0,1|2,0,0]=4 3765 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,1,0,0,0,1|1,0,1]=4 3766 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,1,0,0,0,1|0,0,0]=2 3767 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,1,0,0,0,1|0,0,0]=2 3768 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,1,0,0,0,1|0,0,0]=2 3769 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,1,0,0,0,1|0,0,2]=4 3770 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,1,0,0,0,1|0,0,2]=4 3771 B13R1.5 COc1ccc(cc1)SC(C)C#N 62a_100000703298_100000171711 [0,1,0,0,0,1|1,0,1]=4 3772 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,1,0,0,0,1|0,0,2]=4 3773 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,1,0,0,0,1|0,0,2]=4 3774 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,1,0,0,0,1|0,0,2]=4 3775 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,1,0,0,0,1|1,0,0]=3 3776 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,1,0,0,0,1|1,0,0]=3 3777 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,1,0,0,0,1|1,0,0]=3 3778 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,1,0,0,0,1|1,0,0]=3 3779 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,1,0,0,0,1|0,1,0]=3 3780 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,1,0,0,0,1|0,1,0]=3 3781 B13R1.5 CSc1ccc(cc1)NC(=O)CN 62a_200000210301_100000741985 [0,1,0,0,0,1|0,1,0]=3 3782 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,1,0,0,0,1|0,1,0]=3 3783 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,1,0,0,0,1|0,1,0]=3 3784 B13R1.5 N#Cc1ccc(cc1)CC(=O)CF 1458a_100000748677_100015361967 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,1,0,0,0,1|2,0,0]=4 3788 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,1,0,0,0,1|2,0,0]=4 3789 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,1,0,0,0,1|2,0,0]=4 3790 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,1,0,0,0,1|1,0,0]=3 3791 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,1,0,0,0,1|1,0,0]=3 3792 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,1,0,0,0,1|1,0,1]=4 3793 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,1,0,0,0,1|0,0,0]=2 3794 B13R1.5 [13CH3]Sc1ccc(cc1)NC(=O)CN 62a_200025704644_100000741985 [0,1,0,0,0,1|0,1,0]=3 3795 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 11a_100012001888_100015343762 [0,1,0,0,0,1|1,0,1]=4 3796 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 1626a_100012001888_100015343762 [0,1,0,0,0,1|1,0,1]=4 3797 B13R1.35 C#Cc1ccc(cc1Cl)NC(=O)C 22a_100012001888_100000070787 [0,1,0,0,0,1|1,0,1]=4 3798 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 11a_100012001886_100015343762 [0,1,0,0,0,1|1,0,1]=4 3799 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 1626a_100012001886_100015343762 [0,1,0,0,0,1|1,0,1]=4 3800 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 22a_100012001886_100000070787 [0,1,0,0,0,1|1,0,1]=4 3801 B13R1.35 C#Cc1ccc(cc1F)NC(=O)C 527a_100012001886_100103153847 [0,1,0,0,0,1|1,0,1]=4 3802 B13R1.35 C=Cc1ccc(cc1C)NC(=O)C 271570a_100011290941_100000155607 [0,1,0,0,0,1|1,0,1]=4 3803 B13R1.35 C=Cc1ccc(cc1F)NC(=O)C 271570a_100011290941_100011219590 [0,1,0,0,0,1|1,0,1]=4 3804 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)C#N 1458a_100000070787_100012355662 [0,1,0,0,0,1|2,0,0]=4 3805 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,1,0,0,0,1|0,0,0]=2 3806 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,1,0,0,0,1|0,0,0]=2 3807 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,1,0,0,0,1|0,0,0]=2 3808 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,1,0,0,0,1|0,0,0]=2 3809 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)C#N 1458a_100000070787_100010147163 [0,1,0,0,0,1|2,0,0]=4 3810 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,1,0,0,0,1|0,0,0]=2 3811 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,1,0,0,0,1|0,0,0]=2 3812 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100000070787_100011217145 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200000210301 [0,1,0,0,0,1|2,0,0]=4 3814 B13R1.35 CC(=O)Cc1ccc(c(c1)F)C=O 1458a_100000070787_100010142638 [0,1,0,0,0,1|2,0,0]=4 3815 B13R1.35 CC(=O)Nc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934553 [0,1,0,0,0,1|1,1,0]=4 3816 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N 11a_100000689153_100015343762 [0,1,0,0,0,1|2,0,0]=4 3817 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N 1626a_100000689153_100015343762 [0,1,0,0,0,1|2,0,0]=4 3818 B13R1.35 CC(=O)Nc1ccc(c(c1)C)C#N 11a_100011999795_100015343762 [0,1,0,0,0,1|2,0,0]=4 3819 B13R1.35 CC(=O)Nc1ccc(c(c1)C)C#N 1626a_100011999795_100015343762 [0,1,0,0,0,1|2,0,0]=4 3820 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,1|2,0,0]=4 3821 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,1,0,0,0,1|0,0,0]=2 3822 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,1,0,0,0,1|0,0,0]=2 3823 B13R1.35 CC(=O)Nc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000155607 [0,1,0,0,0,1|0,1,0]=3 3824 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N 11a_100000211542_100015343762 [0,1,0,0,0,1|2,0,0]=4 3825 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N 1626a_100000211542_100015343762 [0,1,0,0,0,1|2,0,0]=4 3826 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,1|2,0,0]=4 3827 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,1,0,0,0,1|0,0,0]=2 3828 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,1,0,0,0,1|0,0,0]=2 3829 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C#N 11a_100000765089_100015343762 [0,1,0,0,0,1|2,0,0]=4 3830 B13R1.35 CC(=O)Nc1ccc(c(c1)F)C#N 1626a_100000765089_100015343762 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.35 CC(=O)Nc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011219590 [0,1,0,0,0,1|0,1,0]=3 3832 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_100000187074_200025704644 [0,1,0,0,0,1|1,1,0]=4 3833 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000187074 [0,1,0,0,0,1|1,1,0]=4 3834 B13R1.35 CC(=O)Nc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100000050017 [0,1,0,0,0,1|1,1,0]=4 3835 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 11a_100000766362_100015343762 [0,1,0,0,0,1|1,0,0]=3 3836 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 1626a_100000766362_100015343762 [0,1,0,0,0,1|1,0,0]=3 3837 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 22a_100000766362_100000070787 [0,1,0,0,0,1|1,0,0]=3 3838 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 527a_100000766362_100103153847 [0,1,0,0,0,1|1,0,0]=3 3839 B13R1.35 CCc1ccc(cc1F)C=C(C)C 271570a_100102525489_200010071577 [0,1,0,0,0,1|2,0,0]=4 3840 B13R1.35 CCc1ccc(cc1N)C=C(C)C 271570a_100102525489_100012354963 [0,1,0,0,0,1|2,0,0]=4 3841 B13R1.35 CNc1ccc(cc1C)C=C(C)C 271570a_100102525489_100000221803 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.35 CNc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000743884 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.35 CNc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000741790 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [0,1,0,0,0,1|1,0,0]=3 3845 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,1,0,0,0,1|0,0,0]=2 3846 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,1,0,0,0,1|0,0,0]=2 3847 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,1,0,0,0,1|0,0,0]=2 3848 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,1,0,0,0,1|0,0,0]=2 3849 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,1,0,0,0,1|0,0,0]=2 3850 B13R1.35 COc1ccc(cc1Br)CN(C)C 2230a_100102631434_200011397701 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.35 COc1ccc(cc1Br)CN(C)C 269982a_100102631434_200011397701 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.35 COc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000173361 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,1,0,0,0,1|0,0,0]=2 3854 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,1,0,0,0,1|0,0,0]=2 3855 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,1,0,0,0,1|0,0,0]=2 3856 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,1,0,0,0,1|0,0,0]=2 3857 B13R1.35 COc1ccc(cc1Br)NC(C)C 34a_100000187427_100000210206 [0,1,0,0,0,1|1,0,1]=4 3858 B13R1.35 COc1ccc(cc1Br)OC(C)C 34a_100010234764_100000210206 [0,1,0,0,0,1|1,0,1]=4 3859 B13R1.35 COc1ccc(cc1Br)OC(C)C 7a_100010234764_100000210206 [0,1,0,0,0,1|1,0,1]=4 3860 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100000210206_100011249507 [0,1,0,0,0,1|1,0,1]=4 3861 B13R1.35 COc1ccc(cc1Br)SC(C)C 62a_100011249507_100000210206 [0,1,0,0,0,1|1,0,1]=4 3862 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,1,0,0,0,1|1,0,0]=3 3863 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,1,0,0,0,1|0,0,0]=2 3864 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,1,0,0,0,1|0,0,0]=2 3865 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,1,0,0,0,1|0,0,0]=2 3866 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,1,0,0,0,1|0,0,0]=2 3867 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,1,0,0,0,1|0,0,0]=2 3868 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100000241087_200000210301 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.35 COc1ccc(cc1C)CN(C)C 2230a_100102631434_200011290836 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100000241087_200000210301 [0,1,0,0,0,1|2,0,0]=4 3871 B13R1.35 COc1ccc(cc1C)CN(C)C 269982a_100102631434_200011290836 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.35 COc1ccc(cc1C)CN(C)C 270004a_100102631434_100000239718 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.35 COc1ccc(cc1C)CN(C)C 34a_100000241087_200000210301 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 2230a_100000241087_200025704644 [0,1,0,0,0,1|2,0,0]=4 3875 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 269982a_100000241087_200025704644 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.35 COc1ccc(cc1C)CN(C)[13CH3] 34a_100000241087_200025704644 [0,1,0,0,0,1|2,0,0]=4 3877 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,1,0,0,0,1|0,0,0]=2 3878 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,1,0,0,0,1|0,0,0]=2 3879 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,1,0,0,0,1|0,0,0]=2 3880 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,1,0,0,0,1|0,0,0]=2 3881 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,1,0,0,0,1|0,0,0]=2 3882 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,1,0,0,0,1|0,0,0]=2 3883 B13R1.35 COc1ccc(cc1C)NC(C)C 2230a_100000743268_100000210206 [0,1,0,0,0,1|1,0,1]=4 3884 B13R1.35 COc1ccc(cc1C)NC(C)C 34a_100000743268_100000210206 [0,1,0,0,0,1|1,0,1]=4 3885 B13R1.35 COc1ccc(cc1C)NC(C)C 7a_100000743268_100000210206 [0,1,0,0,0,1|1,0,1]=4 3886 B13R1.35 COc1ccc(cc1C)OC(C)C 34a_100000759738_100000210206 [0,1,0,0,0,1|1,0,1]=4 3887 B13R1.35 COc1ccc(cc1C)OC(C)C 7a_100000759738_100000210206 [0,1,0,0,0,1|1,0,1]=4 3888 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100000210206_100011219705 [0,1,0,0,0,1|1,0,1]=4 3889 B13R1.35 COc1ccc(cc1C)SC(C)C 62a_100011219705_100000210206 [0,1,0,0,0,1|1,0,1]=4 3890 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [0,1,0,0,0,1|1,0,0]=3 3891 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,1,0,0,0,1|0,0,0]=2 3892 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,1,0,0,0,1|0,0,0]=2 3893 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,1,0,0,0,1|0,0,0]=2 3894 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,1,0,0,0,1|0,0,0]=2 3895 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,1,0,0,0,1|0,0,0]=2 3896 B13R1.35 COc1ccc(cc1Cl)CN(C)C 2230a_100102631434_100000693707 [0,1,0,0,0,1|2,0,0]=4 3897 B13R1.35 COc1ccc(cc1Cl)CN(C)C 269982a_100102631434_100000693707 [0,1,0,0,0,1|2,0,0]=4 3898 B13R1.35 COc1ccc(cc1Cl)CN(C)C 270004a_100102631434_100000186747 [0,1,0,0,0,1|2,0,0]=4 3899 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,1,0,0,0,1|0,0,0]=2 3900 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,1,0,0,0,1|0,0,0]=2 3901 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,1,0,0,0,1|0,0,0]=2 3902 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,1,0,0,0,1|0,0,0]=2 3903 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,1,0,0,0,1|0,0,0]=2 3904 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,1,0,0,0,1|0,0,0]=2 3905 B13R1.35 COc1ccc(cc1Cl)NC(C)C 2230a_100000211044_100000210206 [0,1,0,0,0,1|1,0,1]=4 3906 B13R1.35 COc1ccc(cc1Cl)NC(C)C 34a_100000211044_100000210206 [0,1,0,0,0,1|1,0,1]=4 3907 B13R1.35 COc1ccc(cc1Cl)OC(C)C 34a_200009861682_100000210206 [0,1,0,0,0,1|1,0,1]=4 3908 B13R1.35 COc1ccc(cc1Cl)OC(C)C 7a_200009861682_100000210206 [0,1,0,0,0,1|1,0,1]=4 3909 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100000210206_100012355395 [0,1,0,0,0,1|1,0,1]=4 3910 B13R1.35 COc1ccc(cc1Cl)SC(C)C 62a_100012355395_100000210206 [0,1,0,0,0,1|1,0,1]=4 3911 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [0,1,0,0,0,1|1,0,0]=3 3912 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,1,0,0,0,1|0,0,0]=2 3913 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,1,0,0,0,1|0,0,0]=2 3914 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,1,0,0,0,1|0,0,0]=2 3915 B13R1.35 COc1ccc(cc1F)CN(C)C 2230a_100102631434_100000189595 [0,1,0,0,0,1|2,0,0]=4 3916 B13R1.35 COc1ccc(cc1F)CN(C)C 269982a_100102631434_100000189595 [0,1,0,0,0,1|2,0,0]=4 3917 B13R1.35 COc1ccc(cc1F)CN(C)C 270004a_100102631434_100000204617 [0,1,0,0,0,1|2,0,0]=4 3918 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,1,0,0,0,1|0,0,0]=2 3919 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,1,0,0,0,1|0,0,0]=2 3920 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,1,0,0,0,1|0,0,0]=2 3921 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,1,0,0,0,1|0,0,0]=2 3922 B13R1.35 COc1ccc(cc1F)NC(C)C 2230a_100000740183_100000210206 [0,1,0,0,0,1|1,0,1]=4 3923 B13R1.35 COc1ccc(cc1F)NC(C)C 34a_100000740183_100000210206 [0,1,0,0,0,1|1,0,1]=4 3924 B13R1.35 COc1ccc(cc1F)OC(C)C 34a_100000746305_100000210206 [0,1,0,0,0,1|1,0,1]=4 3925 B13R1.35 COc1ccc(cc1F)OC(C)C 7a_100000746305_100000210206 [0,1,0,0,0,1|1,0,1]=4 3926 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000171752_100000210206 [0,1,0,0,0,1|1,0,1]=4 3927 B13R1.35 COc1ccc(cc1F)SC(C)C 62a_100000210206_100000171752 [0,1,0,0,0,1|1,0,1]=4 3928 B13R1.35 COc1ccc(cc1I)CN(C)C 270004a_100102631434_100009827998 [0,1,0,0,0,1|2,0,0]=4 3929 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,1,0,0,0,1|0,0,0]=2 3930 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,1,0,0,0,1|0,0,0]=2 3931 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,1,0,0,0,1|0,0,0]=2 3932 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,1,0,0,0,1|0,0,0]=2 3933 B13R1.35 COc1ccc(cc1I)NC(C)C 34a_100011356947_100000210206 [0,1,0,0,0,1|1,0,1]=4 3934 B13R1.35 COc1ccc(cc1I)OC(C)C 34a_100010084122_100000210206 [0,1,0,0,0,1|1,0,1]=4 3935 B13R1.35 COc1ccc(cc1I)OC(C)C 7a_100010084122_100000210206 [0,1,0,0,0,1|1,0,1]=4 3936 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [0,1,0,0,0,1|1,0,0]=3 3937 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100000210206_100011249504 [0,1,0,0,0,1|1,0,1]=4 3938 B13R1.35 COc1ccc(cc1N)SC(C)C 62a_100011249504_100000210206 [0,1,0,0,0,1|1,0,1]=4 3939 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,0,0,0,1|1,0,0]=3 3940 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,0,1|0,0,0]=2 3941 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,0,1|0,0,0]=2 3942 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,0,1|0,0,0]=2 3943 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [0,1,0,0,0,1|2,0,0]=4 3944 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [0,1,0,0,0,1|2,0,0]=4 3945 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [0,1,0,0,0,1|2,0,0]=4 3946 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [0,1,0,0,0,1|2,0,0]=4 3947 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,0,1|0,0,0]=2 3948 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,0,1|0,0,0]=2 3949 B13R1.35 COc1ccc(cc1O)NC(C)C 34a_100000211920_100000210206 [0,1,0,0,0,1|1,0,1]=4 3950 B13R1.35 COc1ccc(cc1O)SC(C)C 62a_100000210206_100009816560 [0,1,0,0,0,1|1,0,1]=4 3951 B13R1.35 COc1ccc(nc1Br)C=C(C)C 271570a_100102525489_100010214827 [0,1,0,0,0,1|2,0,0]=4 3952 B13R1.35 COc1ccc(nc1C)C=C(C)C 271570a_100102525489_100010244750 [0,1,0,0,0,1|2,0,0]=4 3953 B13R1.35 COc1ccc(nc1Cl)C=C(C)C 271570a_100102525489_100010233546 [0,1,0,0,0,1|2,0,0]=4 3954 B13R1.35 COc1ccc(nc1F)C=C(C)C 271570a_100102525489_100010138636 [0,1,0,0,0,1|2,0,0]=4 3955 B13R1.35 COc1ccc(nc1N)C=C(C)C 271570a_100102525489_100010192976 [0,1,0,0,0,1|2,0,0]=4 3956 B13R1.35 COc1cnc(cc1N)C=C(C)C 271570a_100102525489_100010896307 [0,1,0,0,0,1|2,0,0]=4 3957 B13R1.35 COc1cnc(cc1O)C=C(C)C 271570a_100102525489_100010264082 [0,1,0,0,0,1|2,0,0]=4 3958 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,1,0,0,0,1|1,0,0]=3 3959 B13R1.35 COc1ncc(cc1Br)C=C(C)C 271570a_100102525489_200010988584 [0,1,0,0,0,1|2,0,0]=4 3960 B13R1.35 COc1ncc(cc1C)C=C(C)C 271570a_100102525489_100011290809 [0,1,0,0,0,1|2,0,0]=4 3961 B13R1.35 COc1ncc(cc1F)C=C(C)C 271570a_100102525489_100011880707 [0,1,0,0,0,1|2,0,0]=4 3962 B13R1.35 COc1ncc(cc1N)C=C(C)C 271570a_100102525489_100000748608 [0,1,0,0,0,1|2,0,0]=4 3963 B13R1.35 COc1ncc(cc1O)C=C(C)C 271570a_100102525489_100010135713 [0,1,0,0,0,1|2,0,0]=4 3964 B13R1.35 CSc1ccc(cc1C)NC(=O)C 62a_200000210301_100000155607 [0,1,0,0,0,1|0,1,0]=3 3965 B13R1.35 CSc1ccc(cc1C)NC(=O)N 62a_200000210301_100000238934 [0,1,0,0,0,1|1,1,0]=4 3966 B13R1.35 CSc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_206447510565 [0,1,0,0,0,1|1,1,0]=4 3967 B13R1.35 CSc1ccc(cc1F)C=C(C)C 271570a_100102525489_100010161220 [0,1,0,0,0,1|1,1,0]=4 3968 B13R1.35 CSc1ccc(cc1F)NC(=O)C 11a_100000762756_100015343762 [0,1,0,0,0,1|0,1,0]=3 3969 B13R1.35 CSc1ccc(cc1F)NC(=O)C 1626a_100000762756_100015343762 [0,1,0,0,0,1|0,1,0]=3 3970 B13R1.35 CSc1ccc(cc1F)NC(=O)C 22a_100000762756_100000070787 [0,1,0,0,0,1|0,1,0]=3 3971 B13R1.35 CSc1ccc(cc1F)NC(=O)C 527a_100000762756_100103153847 [0,1,0,0,0,1|0,1,0]=3 3972 B13R1.35 CSc1ccc(cc1F)NC(=O)C 62a_200000210301_100011219590 [0,1,0,0,0,1|0,1,0]=3 3973 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_100000187074_200000210301 [0,1,0,0,0,1|1,1,0]=4 3974 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_200000210301_100000187074 [0,1,0,0,0,1|1,1,0]=4 3975 B13R1.35 CSc1ccc(nc1F)NC(=O)C 62a_200000210301_100000050017 [0,1,0,0,0,1|1,1,0]=4 3976 B13R1.35 CSc1cnc(cc1C)NC(=O)C 62a_200000210301_100011934553 [0,1,0,0,0,1|1,1,0]=4 3977 B13R1.35 Cc1cc(ccc1S[13CH3])NC(=O)N 62a_200025704644_100000238934 [0,1,0,0,0,1|1,1,0]=4 3978 B13R1.35 [13CH3]C(=O)Cc1ccc(c(c1)F)C#N 1458a_100009864126_200025704644 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.36 C=Cc1ccc(cc1)N(C)C(=O)C 271570a_100011290941_200009816415 [0,1,0,0,0,1|1,0,1]=4 3980 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N 11a_100000739737_100015343762 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N 1626a_100000739737_100015343762 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.36 CC(=O)N(C)c1ccc(cc1)N[13CH3] 34a_100000229935_200025704644 [0,1,0,0,0,1|1,0,0]=3 3983 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,1,0,0,0,1|0,0,0]=2 3984 B13R1.36 CC(=O)N(C)c1ccc(cc1)S[13CH3] 62a_200009816415_200025704644 [0,1,0,0,0,1|0,1,0]=3 3985 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 34a_200010205864_200025704644 [0,1,0,0,0,1|1,0,1]=4 3986 B13R1.36 CC(Br)C(=O)c1ccc(cc1)O[13CH3] 7a_200010205864_200025704644 [0,1,0,0,0,1|1,0,1]=4 3987 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100011995950_200025704644 [0,1,0,0,0,1|1,0,1]=4 3988 B13R1.36 CC(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100011995950_200025704644 [0,1,0,0,0,1|1,0,1]=4 3989 B13R1.36 CCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011215824 [0,1,0,0,0,1|2,0,0]=4 3990 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 34a_100000192105_200025704644 [0,1,0,0,0,1|2,0,0]=4 3991 B13R1.36 CN(C)C(=O)c1ccc(cc1)O[13CH3] 7a_100000192105_200025704644 [0,1,0,0,0,1|2,0,0]=4 3992 B13R1.36 CNc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000219623 [0,1,0,0,0,1|2,0,0]=4 3993 B13R1.36 CNc1ccc(cc1)N(C)C(=O)C 34a_100000229935_200000210301 [0,1,0,0,0,1|1,0,0]=3 3994 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,1,0,0,0,1|1,0,0]=3 3995 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 34a_200010205864_200000210301 [0,1,0,0,0,1|1,0,1]=4 3996 B13R1.36 COc1ccc(cc1)C(=O)C(C)Br 7a_200010205864_200000210301 [0,1,0,0,0,1|1,0,1]=4 3997 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 1458a_100000184203_100000210206 [0,1,0,0,0,1|1,0,1]=4 3998 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 34a_100011995950_200000210301 [0,1,0,0,0,1|1,0,1]=4 3999 B13R1.36 COc1ccc(cc1)C(=O)C(C)C 7a_100011995950_200000210301 [0,1,0,0,0,1|1,0,1]=4 4000 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000184203 [0,1,0,0,0,1|2,0,0]=4 4001 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000184203 [0,1,0,0,0,1|2,0,0]=4 4002 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000184203 [0,1,0,0,0,1|2,0,0]=4 4003 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 34a_100000192105_200000210301 [0,1,0,0,0,1|2,0,0]=4 4004 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000184203 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.36 COc1ccc(cc1)C(=O)N(C)C 7a_100000192105_200000210301 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,1,0,0,0,1|0,0,0]=2 4007 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,1,0,0,0,1|0,0,0]=2 4008 B13R1.36 COc1ccc(cc1)C(C)N(C)C 2230a_100000736477_200000210301 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.36 COc1ccc(cc1)C(C)N(C)C 269982a_100000736477_200000210301 [0,1,0,0,0,1|2,0,0]=4 4010 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 2230a_100000736477_200025704644 [0,1,0,0,0,1|2,0,0]=4 4011 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 269982a_100000736477_200025704644 [0,1,0,0,0,1|2,0,0]=4 4012 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,1,0,0,0,1|0,0,0]=2 4013 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,1,0,0,0,1|0,0,0]=2 4014 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,1,0,0,0,1|0,0,0]=2 4015 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,1,0,0,0,1|0,0,0]=2 4016 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,1,0,0,0,1|0,0,0]=2 4017 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,1,0,0,0,1|0,0,0]=2 4018 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,1,0,0,0,1|0,0,0]=2 4019 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220023_100000210206 [0,1,0,0,0,1|1,0,1]=4 4020 B13R1.36 COc1ccc(cc1)N(C)C(C)C 2230a_100000220024_200000210301 [0,1,0,0,0,1|1,0,1]=4 4021 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220023_100000210206 [0,1,0,0,0,1|1,0,1]=4 4022 B13R1.36 COc1ccc(cc1)N(C)C(C)C 269982a_100000220024_200000210301 [0,1,0,0,0,1|1,0,1]=4 4023 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220023_100000210206 [0,1,0,0,0,1|1,0,1]=4 4024 B13R1.36 COc1ccc(cc1)N(C)C(C)C 34a_100000220024_200000210301 [0,1,0,0,0,1|1,0,1]=4 4025 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 2230a_100000220024_200025704644 [0,1,0,0,0,1|1,0,1]=4 4026 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 269982a_100000220024_200025704644 [0,1,0,0,0,1|1,0,1]=4 4027 B13R1.36 COc1ccc(cc1)N([13CH3])C(C)C 34a_100000220024_200025704644 [0,1,0,0,0,1|1,0,1]=4 4028 B13R1.36 COc1ccc(cn1)C(=C(C)C)C 271570a_200000049429_100000047065 [0,1,0,0,0,1|2,0,0]=4 4029 B13R1.36 COc1ccc(nc1)C(=C(C)C)C 271570a_200000049429_100000755202 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.36 CSc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011263217 [0,1,0,0,0,1|1,1,0]=4 4031 B13R1.36 CSc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200000210301 [0,1,0,0,0,1|1,1,0]=4 4032 B13R1.36 CSc1ccc(cc1)N(C)C(=O)C 62a_200009816415_200000210301 [0,1,0,0,0,1|0,1,0]=3 4033 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200025704644 [0,1,0,0,0,1|1,1,0]=4 4034 B13R1.142 C/C=C/c1ccc(cc1)C=C(C)C 271570a_100102525489_100016259036 [0,1,0,0,0,1|2,0,0]=4 4035 B13R1.142 C=C=Cc1ccc(cc1)CC(=O)C 271570a_100015277604_100000691760 [0,1,0,0,0,1|1,0,1]=4 4036 B13R1.142 C=C=Cc1ccc(cc1)NC(=O)C 271570a_100015277604_100000155215 [0,1,0,0,0,1|1,0,1]=4 4037 B13R1.142 C=C=Cc1ccc(cc1)OC(=O)C 271570a_100015277604_100000002173 [0,1,0,0,0,1|1,0,1]=4 4038 B13R1.142 C=C=Cc1ccc(cc1)SC(=O)C 271570a_100015277604_200009995050 [0,1,0,0,0,1|1,0,1]=4 4039 B13R1.142 CC(=Cc1ccc(cc1)CCN)C 271570a_100102525489_100000755846 [0,1,0,0,0,1|2,0,0]=4 4040 B13R1.142 CC(=Cc1ccc(cc1)CCO)C 271570a_100102525489_100000766406 [0,1,0,0,0,1|2,0,0]=4 4041 B13R1.142 CC(=O)Cc1ccc(cc1)N=[N+]=[N-] 1458a_100010395652_200000210301 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,1,0,0,0,1|0,0,0]=2 4043 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,1,0,0,0,1|0,0,0]=2 4044 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,1,0,0,0,1|0,1,0]=3 4045 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,1,0,0,0,1|0,1,0]=3 4046 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 11a_100000198999_100015343762 [0,1,0,0,0,1|1,0,1]=4 4047 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 1626a_100000198999_100015343762 [0,1,0,0,0,1|1,0,1]=4 4048 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 22a_100000198999_100000070787 [0,1,0,0,0,1|1,0,1]=4 4049 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 527a_100000198999_100103153847 [0,1,0,0,0,1|1,0,1]=4 4050 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,1,0,0,0,1|1,0,0]=3 4051 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,1,0,0,0,1|1,0,0]=3 4052 B13R1.142 CC(=O)Nc1ccc(cc1)CN[13CH3] 34a_100000735448_200025704644 [0,1,0,0,0,1|1,0,0]=3 4053 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,1,0,0,0,1|0,0,0]=2 4054 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,1,0,0,0,1|0,0,0]=2 4055 B13R1.142 CC(=O)Nc1ccc(cc1)CS[13CH3] 62a_200025704644_100000731167 [0,1,0,0,0,1|0,1,0]=3 4056 B13R1.142 CC(=O)Nc1ccc(cc1)N=[N+]=[N-] 22a_100000032754_100000070787 [0,1,0,0,0,1|2,0,0]=4 4057 B13R1.142 CC(=O)Nc1ccc(cc1)NCF 34a_100000184111_100015361967 [0,1,0,0,0,1|1,0,0]=3 4058 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,1,0,0,0,1|0,0,0]=2 4059 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,1,0,0,0,1|0,0,0]=2 4060 B13R1.142 CC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000155215 [0,1,0,0,0,1|0,1,0]=3 4061 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 34a_200000094647_100015361967 [0,1,0,0,0,1|1,0,0]=3 4062 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 7a_200000094647_100015361967 [0,1,0,0,0,1|1,0,0]=3 4063 B13R1.142 CC(=O)Nc1ccc(cn1)SCF 62a_100015361967_100000193312 [0,1,0,0,0,1|1,1,0]=4 4064 B13R1.142 CC(=O)Nc1ccc(nc1)SCF 62a_100015361967_100011934715 [0,1,0,0,0,1|1,1,0]=4 4065 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [0,1,0,0,0,1|0,1,0]=3 4066 B13R1.142 CC(=O)Oc1ccc(cc1)SCF 62a_100015361967_100000002173 [0,1,0,0,0,1|0,1,0]=3 4067 B13R1.142 CC(=O)Sc1ccc(cc1)SCF 62a_200009995050_100015361967 [0,1,0,0,0,1|0,1,0]=3 4068 B13R1.142 CC(=S)Oc1ccc(cc1)SCF 62a_100015361967_200009816735 [0,1,0,0,0,1|0,2,0]=4 4069 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 34a_200011266444_200025704644 [0,1,0,0,0,1|1,0,1]=4 4070 B13R1.142 CC(C)Cc1ccc(cc1)CO[13CH3] 7a_200011266444_200025704644 [0,1,0,0,0,1|1,0,1]=4 4071 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 34a_100000173089_200025704644 [0,1,0,0,0,1|1,0,1]=4 4072 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 7a_100000173089_200025704644 [0,1,0,0,0,1|1,0,1]=4 4073 B13R1.142 CC(C)Oc1ccc(cc1)OCF 34a_100000757185_100015361967 [0,1,0,0,0,1|1,0,1]=4 4074 B13R1.142 CC(C)Oc1ccc(cc1)OCF 7a_100000757185_100015361967 [0,1,0,0,0,1|1,0,1]=4 4075 B13R1.142 CC(N)Cc1ccc(cc1)OCF 34a_100102634573_100015361967 [0,1,0,0,0,1|1,0,1]=4 4076 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [0,1,0,0,0,1|1,0,0]=3 4077 B13R1.142 CC=Cc1ccc(cc1)CC(=O)N 271570a_100016259895_100000162331 [0,1,0,0,0,1|2,0,0]=4 4078 B13R1.142 CC=Cc1ccc(cc1)NC(=O)C 271570a_100016259895_100000155215 [0,1,0,0,0,1|1,0,0]=3 4079 B13R1.142 CC=Cc1ccc(cc1)NC(=O)N 271570a_100016259895_100000198584 [0,1,0,0,0,1|2,0,0]=4 4080 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [0,1,0,0,0,1|1,0,0]=3 4081 B13R1.142 CC=Cc1ccc(cc1)OC(=S)C 271570a_100016259895_200009816735 [0,1,0,0,0,1|1,1,0]=4 4082 B13R1.142 CC=Cc1ccc(cc1)SC(=O)C 271570a_100016259895_200009995050 [0,1,0,0,0,1|1,0,0]=3 4083 B13R1.142 CC=Cc1ccc(cn1)NC(=O)C 271570a_100016259895_100011934715 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.142 CC=Cc1ccc(nc1)NC(=O)C 271570a_100016259895_100000193312 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.142 CCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000750032 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,1,0,0,0,1|1,0,0]=3 4087 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,1,0,0,0,1|1,0,0]=3 4088 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,1,0,0,0,1|1,0,0]=3 4089 B13R1.142 CCCc1ccc(cc1)NC(=O)C 11a_100000211780_100015343762 [0,1,0,0,0,1|1,0,0]=3 4090 B13R1.142 CCCc1ccc(cc1)NC(=O)C 1626a_100000211780_100015343762 [0,1,0,0,0,1|1,0,0]=3 4091 B13R1.142 CCCc1ccc(cc1)NC(=O)C 22a_100000211780_100000070787 [0,1,0,0,0,1|1,0,0]=3 4092 B13R1.142 CCCc1ccc(cc1)NC(=O)C 527a_100000211780_100103153847 [0,1,0,0,0,1|1,0,0]=3 4093 B13R1.142 CCNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219632 [0,1,0,0,0,1|2,0,0]=4 4094 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210202 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.142 CCNc1ccc(cc1)CC(=O)N 34a_100000738315_100000210202 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.142 CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210202 [0,1,0,0,0,1|1,0,0]=3 4097 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [0,1,0,0,0,1|1,0,0]=3 4098 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,1,0,0,0,1|0,0,0]=2 4099 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,1,0,0,0,1|0,0,0]=2 4100 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,1,0,0,0,1|0,0,0]=2 4101 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,1,0,0,0,1|1,0,0]=3 4102 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,1,0,0,0,1|0,0,0]=2 4103 B13R1.142 CCOc1ccc(cc1)CC(C)N 34a_100102634573_100000210202 [0,1,0,0,0,1|1,0,1]=4 4104 B13R1.142 CCOc1ccc(cc1)CN(C)C 2230a_100000180828_200000210301 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.142 CCOc1ccc(cc1)CN(C)C 269982a_100000180828_200000210301 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.142 CCOc1ccc(cc1)CN(C)C 270004a_100102631434_100000169836 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 2230a_100000180828_200025704644 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 269982a_100000180828_200025704644 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,1,0,0,0,1|0,0,0]=2 4110 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,1,0,0,0,1|0,0,0]=2 4111 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,1,0,0,0,1|0,0,0]=2 4112 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,1,0,0,0,1|0,0,0]=2 4113 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,1,0,0,0,1|0,0,0]=2 4114 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,1,0,0,0,1|0,0,0]=2 4115 B13R1.142 CCOc1ccc(cc1)NC(C)C 2230a_100000739623_100000210206 [0,1,0,0,0,1|1,0,1]=4 4116 B13R1.142 CCOc1ccc(cc1)NC(C)C 34a_100000739623_100000210206 [0,1,0,0,0,1|1,0,1]=4 4117 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000185467_100000210206 [0,1,0,0,0,1|1,0,1]=4 4118 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000757185_100000210202 [0,1,0,0,0,1|1,0,1]=4 4119 B13R1.142 CCOc1ccc(cc1)OC(C)C 7a_100000757185_100000210202 [0,1,0,0,0,1|1,0,1]=4 4120 B13R1.142 CCOc1ccc(cc1)SC(C)C 62a_100000210206_100000171712 [0,1,0,0,0,1|1,0,1]=4 4121 B13R1.142 CCOc1ccc(cn1)C=C(C)C 271570a_100102525489_100011219444 [0,1,0,0,0,1|2,0,0]=4 4122 B13R1.142 CCOc1ccc(nc1)C=C(C)C 271570a_100102525489_100000753957 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.142 CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000210202 [0,1,0,0,0,1|1,0,0]=3 4124 B13R1.142 CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000210202 [0,1,0,0,0,1|1,0,0]=3 4125 B13R1.142 CCSc1ccc(cc1)C=C(C)C 271570a_100102525489_200009811893 [0,1,0,0,0,1|1,1,0]=4 4126 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,1,0,0,0,1|0,1,0]=3 4127 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,1,0,0,0,1|0,1,0]=3 4128 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000210202 [0,1,0,0,0,1|1,1,0]=4 4129 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000210202_100000162331 [0,1,0,0,0,1|1,1,0]=4 4130 B13R1.142 CCSc1ccc(cc1)NC(=O)C 11a_100015187087_100015343762 [0,1,0,0,0,1|0,1,0]=3 4131 B13R1.142 CCSc1ccc(cc1)NC(=O)C 1626a_100015187087_100015343762 [0,1,0,0,0,1|0,1,0]=3 4132 B13R1.142 CCSc1ccc(cc1)NC(=O)C 22a_100015187087_100000070787 [0,1,0,0,0,1|0,1,0]=3 4133 B13R1.142 CCSc1ccc(cc1)NC(=O)C 527a_100015187087_100103153847 [0,1,0,0,0,1|0,1,0]=3 4134 B13R1.142 CCSc1ccc(cc1)NC(=O)C 62a_100000210202_100000155215 [0,1,0,0,0,1|0,1,0]=3 4135 B13R1.142 CCSc1ccc(cc1)NC(=O)N 62a_100000210202_100000198584 [0,1,0,0,0,1|1,1,0]=4 4136 B13R1.142 CCSc1ccc(cc1)OC(=O)C 62a_100000210202_100000002173 [0,1,0,0,0,1|0,1,0]=3 4137 B13R1.142 CCSc1ccc(cc1)OC(=S)C 62a_100000210202_200009816735 [0,1,0,0,0,1|0,2,0]=4 4138 B13R1.142 CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210202 [0,1,0,0,0,1|0,1,0]=3 4139 B13R1.142 CCSc1ccc(cn1)NC(=O)C 62a_100000210202_100011934715 [0,1,0,0,0,1|1,1,0]=4 4140 B13R1.142 CCSc1ccc(nc1)NC(=O)C 62a_100000210202_100000193312 [0,1,0,0,0,1|1,1,0]=4 4141 B13R1.142 CNCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000180866 [0,1,0,0,0,1|2,0,0]=4 4142 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.142 CNCc1ccc(cc1)NC(=O)C 207a_100102657272_100000210072 [0,1,0,0,0,1|1,0,0]=3 4144 B13R1.142 CNCc1ccc(cc1)NC(=O)C 2230a_106832991635_100000731167 [0,1,0,0,0,1|1,0,0]=3 4145 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100000735448_200000210301 [0,1,0,0,0,1|1,0,0]=3 4146 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100102657272_100000731167 [0,1,0,0,0,1|1,0,0]=3 4147 B13R1.142 CNCc1ccc(cc1)NC(=O)C 7a_106832991635_100000731167 [0,1,0,0,0,1|1,0,0]=3 4148 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [0,1,0,0,0,1|1,0,0]=3 4149 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [0,1,0,0,0,1|1,0,0]=3 4150 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [0,1,0,0,0,1|1,0,0]=3 4151 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [0,1,0,0,0,1|1,0,0]=3 4152 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [0,1,0,0,0,1|1,0,0]=3 4153 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,1,0,0,0,1|0,0,0]=2 4154 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,1,0,0,0,1|0,0,0]=2 4155 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_100138415774_100011982790 [0,1,0,0,0,1|1,0,1]=4 4156 B13R1.142 COCc1ccc(cc1)CC(C)C 34a_200011266444_200000210301 [0,1,0,0,0,1|1,0,1]=4 4157 B13R1.142 COCc1ccc(cc1)CC(C)C 7a_200011266444_200000210301 [0,1,0,0,0,1|1,0,1]=4 4158 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,1,0,0,0,1|0,0,0]=2 4159 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,1,0,0,0,1|0,0,0]=2 4160 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,1,0,0,0,1|0,0,0]=2 4161 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,1,0,0,0,1|0,0,0]=2 4162 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,1,0,0,0,1|0,0,0]=2 4163 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,1,0,0,0,1|0,0,0]=2 4164 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,1,0,0,0,1|0,0,0]=2 4165 B13R1.142 COCc1ccc(cc1)NC(C)C 34a_100000694113_100000210206 [0,1,0,0,0,1|1,0,1]=4 4166 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_100000173089_200000210301 [0,1,0,0,0,1|1,0,1]=4 4167 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_200011995677_100000210206 [0,1,0,0,0,1|1,0,1]=4 4168 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_100000173089_200000210301 [0,1,0,0,0,1|1,0,1]=4 4169 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_200011995677_100000210206 [0,1,0,0,0,1|1,0,1]=4 4170 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100000210206_100011493685 [0,1,0,0,0,1|1,0,1]=4 4171 B13R1.142 COCc1ccc(cc1)SC(C)C 62a_100011493685_100000210206 [0,1,0,0,0,1|1,0,1]=4 4172 B13R1.142 CSCc1ccc(cc1)NC(=O)C 11a_106726388226_100015343762 [0,1,0,0,0,1|0,1,0]=3 4173 B13R1.142 CSCc1ccc(cc1)NC(=O)C 1626a_106726388226_100015343762 [0,1,0,0,0,1|0,1,0]=3 4174 B13R1.142 CSCc1ccc(cc1)NC(=O)C 22a_106726388226_100000070787 [0,1,0,0,0,1|0,1,0]=3 4175 B13R1.142 CSCc1ccc(cc1)NC(=O)C 527a_106726388226_100103153847 [0,1,0,0,0,1|0,1,0]=3 4176 B13R1.142 CSCc1ccc(cc1)NC(=O)C 62a_200000210301_100000731167 [0,1,0,0,0,1|0,1,0]=3 4177 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [0,1,0,0,0,1|0,1,0]=3 4178 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 34a_100000738315_100015361967 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,1,0,0,0,1|1,0,0]=3 4180 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100000162331_100015361967 [0,1,0,0,0,1|1,1,0]=4 4181 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000162331 [0,1,0,0,0,1|1,1,0]=4 4182 B13R1.142 NC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000198584 [0,1,0,0,0,1|1,1,0]=4 4183 B13R1.142 [13CH3]C(=O)Cc1ccc(cc1)N=[N+]=[N-] 1458a_100010395652_200025704644 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.585 C=C(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000185454 [0,1,0,0,0,1|2,0,0]=4 4186 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,1,0,0,0,1|1,0,0]=3 4187 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)N 271570a_100000694244_100000162331 [0,1,0,0,0,1|2,0,0]=4 4188 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)C 271570a_100000694244_100000155215 [0,1,0,0,0,1|1,0,0]=3 4189 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)N 271570a_100000694244_100000198584 [0,1,0,0,0,1|2,0,0]=4 4190 B13R1.585 C=C(C)c1ccc(cc1)OC(=O)C 271570a_100000694244_100000002173 [0,1,0,0,0,1|1,0,0]=3 4191 B13R1.585 C=C(C)c1ccc(cc1)OC(=S)C 271570a_100000694244_200009816735 [0,1,0,0,0,1|1,1,0]=4 4192 B13R1.585 C=C(C)c1ccc(cc1)SC(=O)C 271570a_100000694244_200009995050 [0,1,0,0,0,1|1,0,0]=3 4193 B13R1.585 C=C(C)c1ccc(cn1)NC(=O)C 271570a_100000694244_100011934715 [0,1,0,0,0,1|2,0,0]=4 4194 B13R1.585 C=C(C)c1ccc(nc1)NC(=O)C 271570a_100000694244_100000193312 [0,1,0,0,0,1|2,0,0]=4 4195 B13R1.585 CC(=Cc1ccc(cc1)C(C)C)C 271570a_100102525489_100000750031 [0,1,0,0,0,1|2,0,0]=4 4196 B13R1.585 CC(=Cc1ccc(cc1)C(C)O)C 271570a_100102525489_100000745893 [0,1,0,0,0,1|2,0,0]=4 4197 B13R1.585 CC(=Cc1ccc(cc1)N(C)C)C 271570a_100102525489_100000210421 [0,1,0,0,0,1|2,0,0]=4 4198 B13R1.585 CC(=Cc1ccc(cc1)S(=O)C)C 271570a_100102525489_100009816266 [0,1,0,0,0,1|1,1,0]=4 4199 B13R1.585 CC(=Cc1ccc(cc1)[C@@H](C)N)C 271570a_100102525489_100000720352 [0,1,0,0,0,1|2,0,0]=4 4200 B13R1.585 CC(=Cc1ccc(cc1)[C@H](C)N)C 271570a_100102525489_100000753911 [0,1,0,0,0,1|2,0,0]=4 4201 B13R1.585 CC(=O)Cc1ccc(cc1)B(O)O 1458a_100000070787_100009813762 [0,1,0,0,0,1|2,0,0]=4 4202 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,1,0,0,0,1|1,0,0]=3 4203 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)N 1458a_100000070787_100000231043 [0,1,0,0,0,1|2,0,0]=4 4204 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,1,0,0,0,1|1,0,0]=3 4205 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,1,0,0,0,1|1,0,0]=3 4206 B13R1.585 CC(=O)Cc1ccc(cc1)C(F)F 1458a_100000070787_200012343607 [0,1,0,0,0,1|2,0,0]=4 4207 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,1,0,0,0,1|1,0,0]=3 4208 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000181861 [0,1,0,0,0,1|2,0,0]=4 4209 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200000210301 [0,1,0,0,0,1|2,0,0]=4 4210 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000185149_200000210301 [0,1,0,0,0,1|1,0,0]=3 4211 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 11a_100000210537_100015343762 [0,1,0,0,0,1|2,0,0]=4 4212 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 1626a_100000210537_100015343762 [0,1,0,0,0,1|2,0,0]=4 4213 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 22a_100000210537_100000070787 [0,1,0,0,0,1|2,0,0]=4 4214 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 527a_100000210537_100103153847 [0,1,0,0,0,1|2,0,0]=4 4215 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000185149_200025704644 [0,1,0,0,0,1|1,0,0]=3 4216 B13R1.585 CC(=O)Nc1ccc(cc1)C(=S)N 1626a_100000739662_100015343762 [0,1,0,0,0,1|2,0,0]=4 4217 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100015343762 [0,1,0,0,0,1|1,0,0]=3 4218 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100015343762 [0,1,0,0,0,1|1,0,0]=3 4219 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000070787 [0,1,0,0,0,1|1,0,0]=3 4220 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100103153847 [0,1,0,0,0,1|1,0,0]=3 4221 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,1,0,0,0,1|1,0,0]=3 4222 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,1,0,0,0,1|1,0,0]=3 4223 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 11a_100020620101_100015343762 [0,1,0,0,0,1|2,0,0]=4 4224 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 1626a_100020620101_100015343762 [0,1,0,0,0,1|2,0,0]=4 4225 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 22a_100020620101_100000070787 [0,1,0,0,0,1|2,0,0]=4 4226 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 527a_100020620101_100103153847 [0,1,0,0,0,1|2,0,0]=4 4227 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100015343762 [0,1,0,0,0,1|1,0,0]=3 4228 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100015343762 [0,1,0,0,0,1|1,0,0]=3 4229 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 2230a_100000219403_200000210301 [0,1,0,0,0,1|1,0,0]=3 4230 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000070787 [0,1,0,0,0,1|1,0,0]=3 4231 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 269982a_100000219403_200000210301 [0,1,0,0,0,1|1,0,0]=3 4232 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 34a_100000219403_200000210301 [0,1,0,0,0,1|1,0,0]=3 4233 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 38a_100000219403_200000210301 [0,1,0,0,0,1|1,0,0]=3 4234 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100103153847 [0,1,0,0,0,1|1,0,0]=3 4235 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 2230a_100000219403_200025704644 [0,1,0,0,0,1|1,0,0]=3 4236 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 269982a_100000219403_200025704644 [0,1,0,0,0,1|1,0,0]=3 4237 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 34a_100000219403_200025704644 [0,1,0,0,0,1|1,0,0]=3 4238 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 38a_100000219403_200025704644 [0,1,0,0,0,1|1,0,0]=3 4239 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100015343762 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100015343762 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.585 CC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000185465 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,1,0,0,0,1|1,0,0]=3 4243 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,1,0,0,0,1|1,0,0]=3 4244 B13R1.585 [13CH3]C(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200025704644 [0,1,0,0,0,1|2,0,0]=4 4245 B13R1.653 C=Cc1ccc(c(c1)C)NC(=O)C 271570a_100011290941_100000152120 [0,1,0,0,0,1|1,0,1]=4 4246 B13R1.653 C=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100011290941_100011273303 [0,1,0,0,0,1|1,0,1]=4 4247 B13R1.653 C=Cc1ccc(c(c1)F)NC(=O)C 271570a_100011290941_100000155584 [0,1,0,0,0,1|1,0,1]=4 4248 B13R1.653 C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100011290941_100009811628 [0,1,0,0,0,1|1,0,1]=4 4249 B13R1.653 C=Cc1ccc(c(c1)N)NC(=O)C 271570a_100011290941_100000749274 [0,1,0,0,0,1|1,0,1]=4 4250 B13R1.653 CC(=O)Cc1ccc(cc1Br)C#N 1458a_100000070787_100000694769 [0,1,0,0,0,1|2,0,0]=4 4251 B13R1.653 CC(=O)Cc1ccc(cc1Cl)C#N 1458a_100000070787_100000709902 [0,1,0,0,0,1|2,0,0]=4 4252 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,1,0,0,0,1|0,0,0]=2 4253 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,1,0,0,0,1|0,0,0]=2 4254 B13R1.653 CC(=O)Cc1ccc(cc1F)C#N 1458a_100000070787_100000239720 [0,1,0,0,0,1|2,0,0]=4 4255 B13R1.653 CC(=O)Cc1ccc(cc1I)C#N 1458a_100000070787_100010079267 [0,1,0,0,0,1|2,0,0]=4 4256 B13R1.653 CC(=O)Nc1ccc(cc1Br)C#N 1626a_100000736769_100015343762 [0,1,0,0,0,1|2,0,0]=4 4257 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 11a_100011216260_100015343762 [0,1,0,0,0,1|2,0,0]=4 4258 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 1626a_100011216260_100015343762 [0,1,0,0,0,1|2,0,0]=4 4259 B13R1.653 CC(=O)Nc1ccc(cc1C)C#N 527a_100011216260_100103153847 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [0,1,0,0,0,1|1,0,0]=3 4262 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [0,1,0,0,0,1|1,0,0]=3 4263 B13R1.653 CC(=O)Nc1ccc(cc1C)S[13CH3] 62a_200025704644_100000152120 [0,1,0,0,0,1|0,1,0]=3 4264 B13R1.653 CC(=O)Nc1ccc(cc1Cl)C#N 1626a_100000690208_100015343762 [0,1,0,0,0,1|2,0,0]=4 4265 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 34a_100000244014_200025704644 [0,1,0,0,0,1|1,0,0]=3 4266 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 7a_100000244014_200025704644 [0,1,0,0,0,1|1,0,0]=3 4267 B13R1.653 CC(=O)Nc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011273303 [0,1,0,0,0,1|0,1,0]=3 4268 B13R1.653 CC(=O)Nc1ccc(cc1F)C#N 11a_100000760432_100015343762 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.653 CC(=O)Nc1ccc(cc1F)C#N 1626a_100000760432_100015343762 [0,1,0,0,0,1|2,0,0]=4 4270 B13R1.653 CC(=O)Nc1ccc(cc1F)S[13CH3] 62a_200025704644_100000155584 [0,1,0,0,0,1|0,1,0]=3 4271 B13R1.653 CC(=O)Nc1ccc(cc1I)C#N 1626a_100000067503_100015343762 [0,1,0,0,0,1|2,0,0]=4 4272 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 22a_100011997735_100000070787 [0,1,0,0,0,1|2,0,0]=4 4273 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 271570a_203496583355_200011214909 [0,1,0,0,0,1|2,0,0]=4 4274 B13R1.653 CC(=O)Nc1ccc(cc1O)C#N 527a_100011997735_100103153847 [0,1,0,0,0,1|2,0,0]=4 4275 B13R1.653 CC(=O)Nc1ncc(cc1C)S[13CH3] 62a_200025704644_200011934169 [0,1,0,0,0,1|1,1,0]=4 4276 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [0,1,0,0,0,1|0,1,0]=3 4277 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [0,1,0,0,0,1|0,1,0]=3 4278 B13R1.653 CCc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_200009997437 [0,1,0,0,0,1|2,0,0]=4 4279 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 11a_100012339725_100015343762 [0,1,0,0,0,1|1,0,0]=3 4280 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 1626a_100012339725_100015343762 [0,1,0,0,0,1|1,0,0]=3 4281 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 527a_100012339725_100103153847 [0,1,0,0,0,1|1,0,0]=3 4282 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [0,1,0,0,0,1|1,0,0]=3 4283 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [0,1,0,0,0,1|1,0,0]=3 4284 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [0,1,0,0,0,1|1,0,0]=3 4285 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [0,1,0,0,0,1|1,0,0]=3 4286 B13R1.653 CCc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_200010339503 [0,1,0,0,0,1|2,0,0]=4 4287 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 11a_100016177294_100015343762 [0,1,0,0,0,1|1,0,0]=3 4288 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 1626a_100016177294_100015343762 [0,1,0,0,0,1|1,0,0]=3 4289 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 22a_100016177294_100000070787 [0,1,0,0,0,1|1,0,0]=3 4290 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 527a_100016177294_100103153847 [0,1,0,0,0,1|1,0,0]=3 4291 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,1,0,0,0,1|1,0,0]=3 4292 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,1,0,0,0,1|1,0,0]=3 4293 B13R1.653 CNc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100102888905 [0,1,0,0,0,1|2,0,0]=4 4294 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [0,1,0,0,0,1|1,0,0]=3 4295 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [0,1,0,0,0,1|1,0,0]=3 4296 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_200000210301 [0,1,0,0,0,1|1,0,0]=3 4297 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_200000210301 [0,1,0,0,0,1|1,0,0]=3 4298 B13R1.653 CNc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100012285320 [0,1,0,0,0,1|2,0,0]=4 4299 B13R1.653 COc1cc(c(cn1)C=C(C)C)C 271570a_100102525489_100011934368 [0,1,0,0,0,1|2,0,0]=4 4300 B13R1.653 COc1cc(c(cn1)C=C(C)C)F 271570a_100102525489_100010136277 [0,1,0,0,0,1|2,0,0]=4 4301 B13R1.653 COc1cc(c(cn1)C=C(C)C)N 271570a_100102525489_100010254562 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.653 COc1cc(c(cn1)C=C(C)C)O 271570a_100102525489_100010738159 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,1,0,0,0,1|1,0,0]=3 4304 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,1,0,0,0,1|0,0,0]=2 4305 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,1,0,0,0,1|0,0,0]=2 4306 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,1,0,0,0,1|0,0,0]=2 4307 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 2230a_100102631434_100011982828 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 269982a_100102631434_100011982828 [0,1,0,0,0,1|2,0,0]=4 4309 B13R1.653 COc1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100000723261 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,1,0,0,0,1|0,0,0]=2 4311 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,1,0,0,0,1|0,0,0]=2 4312 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,1,0,0,0,1|0,0,0]=2 4313 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,1,0,0,0,1|0,0,0]=2 4314 B13R1.653 COc1ccc(c(c1)Br)NC(C)C 34a_100015195136_100000210206 [0,1,0,0,0,1|1,0,1]=4 4315 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 34a_100000685887_100000210206 [0,1,0,0,0,1|1,0,1]=4 4316 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 7a_100000685887_100000210206 [0,1,0,0,0,1|1,0,1]=4 4317 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100000210206_100012349170 [0,1,0,0,0,1|1,0,1]=4 4318 B13R1.653 COc1ccc(c(c1)Br)SC(C)C 62a_100012349170_100000210206 [0,1,0,0,0,1|1,0,1]=4 4319 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,1,0,0,0,1|1,0,0]=3 4320 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,1,0,0,0,1|0,0,0]=2 4321 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,1,0,0,0,1|0,0,0]=2 4322 B13R1.653 COc1ccc(c(c1)C)CN(C)C 270004a_100102631434_100011214997 [0,1,0,0,0,1|2,0,0]=4 4323 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,1,0,0,0,1|0,0,0]=2 4324 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,1,0,0,0,1|0,0,0]=2 4325 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,1,0,0,0,1|0,0,0]=2 4326 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,1,0,0,0,1|0,0,0]=2 4327 B13R1.653 COc1ccc(c(c1)C)NC(C)C 34a_100000750285_100000210206 [0,1,0,0,0,1|1,0,1]=4 4328 B13R1.653 COc1ccc(c(c1)C)OC(C)C 34a_100012002223_100000210206 [0,1,0,0,0,1|1,0,1]=4 4329 B13R1.653 COc1ccc(c(c1)C)OC(C)C 7a_100012002223_100000210206 [0,1,0,0,0,1|1,0,1]=4 4330 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000210206_100000759875 [0,1,0,0,0,1|1,0,1]=4 4331 B13R1.653 COc1ccc(c(c1)C)SC(C)C 62a_100000759875_100000210206 [0,1,0,0,0,1|1,0,1]=4 4332 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,1,0,0,0,1|0,0,0]=2 4333 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,1,0,0,0,1|0,0,0]=2 4334 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,1,0,0,0,1|0,0,0]=2 4335 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,1,0,0,0,1|0,0,0]=2 4336 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,1,0,0,0,1|0,0,0]=2 4337 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 2230a_100102631434_200011830453 [0,1,0,0,0,1|2,0,0]=4 4338 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 269982a_100102631434_200011830453 [0,1,0,0,0,1|2,0,0]=4 4339 B13R1.653 COc1ccc(c(c1)Cl)CN(C)C 270004a_100102631434_100000235372 [0,1,0,0,0,1|2,0,0]=4 4340 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,1,0,0,0,1|0,0,0]=2 4341 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,1,0,0,0,1|0,0,0]=2 4342 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,1,0,0,0,1|0,0,0]=2 4343 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,1,0,0,0,1|0,0,0]=2 4344 B13R1.653 COc1ccc(c(c1)Cl)NC(C)C 34a_100000747055_100000210206 [0,1,0,0,0,1|1,0,1]=4 4345 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 34a_100000038596_100000210206 [0,1,0,0,0,1|1,0,1]=4 4346 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 7a_100000038596_100000210206 [0,1,0,0,0,1|1,0,1]=4 4347 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,1,0,0,0,1|1,0,0]=3 4348 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,1,0,0,0,1|0,0,0]=2 4349 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,1,0,0,0,1|0,0,0]=2 4350 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,1,0,0,0,1|0,0,0]=2 4351 B13R1.653 COc1ccc(c(c1)F)CN(C)C 2230a_100102631434_100011260761 [0,1,0,0,0,1|2,0,0]=4 4352 B13R1.653 COc1ccc(c(c1)F)CN(C)C 269982a_100102631434_100011260761 [0,1,0,0,0,1|2,0,0]=4 4353 B13R1.653 COc1ccc(c(c1)F)CN(C)C 270004a_100102631434_100011216087 [0,1,0,0,0,1|2,0,0]=4 4354 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,1,0,0,0,1|0,0,0]=2 4355 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,1,0,0,0,1|0,0,0]=2 4356 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,1,0,0,0,1|0,0,0]=2 4357 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,1,0,0,0,1|0,0,0]=2 4358 B13R1.653 COc1ccc(c(c1)F)NC(C)C 34a_100011299463_100000210206 [0,1,0,0,0,1|1,0,1]=4 4359 B13R1.653 COc1ccc(c(c1)F)OC(C)C 34a_100000036999_100000210206 [0,1,0,0,0,1|1,0,1]=4 4360 B13R1.653 COc1ccc(c(c1)F)OC(C)C 7a_100000036999_100000210206 [0,1,0,0,0,1|1,0,1]=4 4361 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000210206_100000753793 [0,1,0,0,0,1|1,0,1]=4 4362 B13R1.653 COc1ccc(c(c1)F)SC(C)C 62a_100000753793_100000210206 [0,1,0,0,0,1|1,0,1]=4 4363 B13R1.653 COc1ccc(c(c1)I)CN(C)C 270004a_100102631434_100010159643 [0,1,0,0,0,1|2,0,0]=4 4364 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,1,0,0,0,1|0,0,0]=2 4365 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,1,0,0,0,1|0,0,0]=2 4366 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,1,0,0,0,1|0,0,0]=2 4367 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,1,0,0,0,1|0,0,0]=2 4368 B13R1.653 COc1ccc(c(c1)I)NC(C)C 34a_100000049804_100000210206 [0,1,0,0,0,1|1,0,1]=4 4369 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,1,0,0,0,1|1,0,0]=3 4370 B13R1.653 COc1ccc(c(c1)N)OC(C)C 34a_100000188146_100000210206 [0,1,0,0,0,1|1,0,1]=4 4371 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000210206_100000748021 [0,1,0,0,0,1|1,0,1]=4 4372 B13R1.653 COc1ccc(c(c1)N)SC(C)C 62a_100000748021_100000210206 [0,1,0,0,0,1|1,0,1]=4 4373 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,1,0,0,0,1|1,0,0]=3 4374 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,1,0,0,0,1|0,0,0]=2 4375 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,1,0,0,0,1|0,0,0]=2 4376 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [0,1,0,0,0,1|1,0,1]=4 4377 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [0,1,0,0,0,1|1,0,1]=4 4378 B13R1.653 COc1ccc(c(n1)C)C=C(C)C 271570a_100102525489_100000766551 [0,1,0,0,0,1|2,0,0]=4 4379 B13R1.653 COc1ccc(c(n1)F)C=C(C)C 271570a_100102525489_100010067559 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.653 COc1ccc(c(n1)N)C=C(C)C 271570a_100102525489_100010187629 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.653 COc1cnc(c(c1)C)C=C(C)C 271570a_100102525489_200009851512 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.653 COc1cnc(c(c1)N)C=C(C)C 271570a_100102525489_100010074831 [0,1,0,0,0,1|2,0,0]=4 4383 B13R1.653 CSc1ccc(c(c1)C)NC(=O)C 62a_200000210301_100000152120 [0,1,0,0,0,1|0,1,0]=3 4384 B13R1.653 CSc1ccc(c(c1)Cl)NC(=O)C 62a_200000210301_100011273303 [0,1,0,0,0,1|0,1,0]=3 4385 B13R1.653 CSc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100009816902 [0,1,0,0,0,1|1,1,0]=4 4386 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 11a_100012056844_100015343762 [0,1,0,0,0,1|0,1,0]=3 4387 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 1626a_100012056844_100015343762 [0,1,0,0,0,1|0,1,0]=3 4388 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 22a_100012056844_100000070787 [0,1,0,0,0,1|0,1,0]=3 4389 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 527a_100012056844_100103153847 [0,1,0,0,0,1|0,1,0]=3 4390 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 62a_200000210301_100000155584 [0,1,0,0,0,1|0,1,0]=3 4391 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [0,1,0,0,0,1|0,1,0]=3 4392 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [0,1,0,0,0,1|0,1,0]=3 4393 B13R1.653 CSc1cnc(c(c1)C)NC(=O)C 62a_200000210301_200011934169 [0,1,0,0,0,1|1,1,0]=4 4394 B13R1.39 CCC(=NO)c1ccc(cc1)OC 34a_100000740173_200000210301 [0,2,0,0,0,0|0,0,1]=3 4395 B13R1.39 CCC(=NO)c1ccc(cc1)O[13CH3] 34a_100000740173_200025704644 [0,2,0,0,0,0|0,0,1]=3 4396 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,2,0,0,0,0|1,0,1]=4 4397 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,2,0,0,0,0|1,0,1]=4 4398 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,2,0,0,0,0|1,0,1]=4 4399 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,2,0,0,0,0|1,0,1]=4 4400 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,2,0,0,0,0|1,0,1]=4 4401 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|0,0,2]=4 4402 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|0,0,2]=4 4403 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|0,0,2]=4 4404 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|0,0,2]=4 4405 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|0,0,2]=4 4406 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|0,0,2]=4 4407 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 4408 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 4409 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 4410 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 4411 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 4412 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 4413 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|0,0,2]=4 4414 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|0,0,2]=4 4415 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)CC 1458a_100103168756_100000210202 [0,2,0,0,0,0|1,0,1]=4 4416 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100103168756_100015361967 [0,2,0,0,0,0|1,0,1]=4 4417 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 11a_106832991635_100103168756 [0,2,0,0,0,0|1,0,1]=4 4418 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 1626a_100102657272_100103168756 [0,2,0,0,0,0|1,0,1]=4 4419 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 240690a_100102657272_100103168756 [0,2,0,0,0,0|1,0,1]=4 4420 B13R1.95 C#Cc1ccc(c(c1)Cl)C(=O)NC 527a_100102657272_100103168756 [0,2,0,0,0,0|1,0,1]=4 4421 B13R1.95 C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100011290941_100010247156 [0,2,0,0,0,0|1,0,1]=4 4422 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)CC 271570a_100011290941_200012361375 [0,2,0,0,0,0|1,0,1]=4 4423 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100011290941_100000747612 [0,2,0,0,0,0|1,0,1]=4 4424 B13R1.95 C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100011290941_100000060724 [0,2,0,0,0,0|1,0,1]=4 4425 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)CC 271570a_100011290941_100012360378 [0,2,0,0,0,0|1,0,1]=4 4426 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)NC 271570a_100011290941_100000233932 [0,2,0,0,0,0|1,0,1]=4 4427 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100011290941_100000216654 [0,2,0,0,0,0|1,0,1]=4 4428 B13R1.95 C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100011290941_100011373473 [0,2,0,0,0,0|1,0,1]=4 4429 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|1,0,1]=4 4430 B13R1.95 CCC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_100000210202 [0,2,0,0,0,0|2,0,0]=4 4431 B13R1.95 CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210202 [0,2,0,0,0,0|0,0,0]=2 4432 B13R1.95 CCC(=O)c1ccc(cc1C)C#N 1458a_100000691869_100000210202 [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [0,2,0,0,0,0|0,0,0]=2 4434 B13R1.95 CCC(=O)c1ccc(cc1C)SC 1458a_100012278374_100000210202 [0,2,0,0,0,0|0,1,0]=3 4435 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200000210301_200012361375 [0,2,0,0,0,0|0,1,0]=3 4436 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200012361375_200000210301 [0,2,0,0,0,0|0,1,0]=3 4437 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200012361375_200025704644 [0,2,0,0,0,0|0,1,0]=3 4438 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_200012361375 [0,2,0,0,0,0|0,1,0]=3 4439 B13R1.95 CCC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_100000210202 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.95 CCC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_100000210202 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.95 CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210202 [0,2,0,0,0,0|0,0,0]=2 4442 B13R1.95 CCC(=O)c1ccc(cc1F)C#N 1458a_100000238375_100000210202 [0,2,0,0,0,0|2,0,0]=4 4443 B13R1.95 CCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210202 [0,2,0,0,0,0|1,0,0]=3 4444 B13R1.95 CCC(=O)c1ccc(cc1F)CO 1458a_100011934814_100000210202 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.95 CCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012360378 [0,2,0,0,0,0|1,0,0]=3 4446 B13R1.95 CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210202 [0,2,0,0,0,0|0,0,0]=2 4447 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_100012360378_200000210301 [0,2,0,0,0,0|0,1,0]=3 4448 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_200000210301_100012360378 [0,2,0,0,0,0|0,1,0]=3 4449 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_100012360378_200025704644 [0,2,0,0,0,0|0,1,0]=3 4450 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100012360378 [0,2,0,0,0,0|0,1,0]=3 4451 B13R1.95 CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210202 [0,2,0,0,0,0|0,0,0]=2 4452 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,2,0,0,0,0|0,0,0]=2 4453 B13R1.95 CCN(C)c1ccc(cc1C)OC 2230a_103496583619_100000210202 [0,2,0,0,0,0|2,0,0]=4 4454 B13R1.95 CCN(C)c1ccc(cc1C)OC 269982a_103496583619_100000204670 [0,2,0,0,0,0|2,0,0]=4 4455 B13R1.95 CCN(C)c1ccc(cc1C)OC 34a_103496583619_100000210202 [0,2,0,0,0,0|2,0,0]=4 4456 B13R1.95 CCN(C)c1ccc(cc1C)OC 38a_103496583619_100000204670 [0,2,0,0,0,0|2,0,0]=4 4457 B13R1.95 CCc1ccc(c(c1)F)C(=O)CF 1458a_200009867912_100015361967 [0,2,0,0,0,0|1,0,0]=3 4458 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 11a_106832991635_200009867912 [0,2,0,0,0,0|1,0,0]=3 4459 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_200009867912 [0,2,0,0,0,0|1,0,0]=3 4460 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_200009867912 [0,2,0,0,0,0|1,0,0]=3 4461 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 527a_100102657272_200009867912 [0,2,0,0,0,0|1,0,0]=3 4462 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 11a_106832991635_100010244945 [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 1626a_100102657272_100010244945 [0,2,0,0,0,0|2,0,0]=4 4464 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 240690a_100102657272_100010244945 [0,2,0,0,0,0|2,0,0]=4 4465 B13R1.95 CNC(=O)c1ccc(cc1Br)C#N 527a_100102657272_100010244945 [0,2,0,0,0,0|2,0,0]=4 4466 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [0,2,0,0,0,0|0,0,0]=2 4467 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [0,2,0,0,0,0|0,0,0]=2 4468 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [0,2,0,0,0,0|0,0,0]=2 4469 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [0,2,0,0,0,0|0,0,0]=2 4470 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 11a_106832991635_100000691869 [0,2,0,0,0,0|2,0,0]=4 4471 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 1626a_100102657272_100000691869 [0,2,0,0,0,0|2,0,0]=4 4472 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 240690a_100102657272_100000691869 [0,2,0,0,0,0|2,0,0]=4 4473 B13R1.95 CNC(=O)c1ccc(cc1C)C#N 527a_100102657272_100000691869 [0,2,0,0,0,0|2,0,0]=4 4474 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,2,0,0,0,0|0,0,0]=2 4475 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,2,0,0,0,0|0,0,0]=2 4476 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,2,0,0,0,0|0,0,0]=2 4477 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,2,0,0,0,0|0,0,0]=2 4478 B13R1.95 CNC(=O)c1ccc(cc1C)SC 11a_106832991635_100012278374 [0,2,0,0,0,0|0,1,0]=3 4479 B13R1.95 CNC(=O)c1ccc(cc1C)SC 1626a_100102657272_100012278374 [0,2,0,0,0,0|0,1,0]=3 4480 B13R1.95 CNC(=O)c1ccc(cc1C)SC 240690a_100102657272_100012278374 [0,2,0,0,0,0|0,1,0]=3 4481 B13R1.95 CNC(=O)c1ccc(cc1C)SC 527a_100102657272_100012278374 [0,2,0,0,0,0|0,1,0]=3 4482 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 11a_106832991635_100000100588 [0,2,0,0,0,0|2,0,0]=4 4483 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 1626a_100102657272_100000100588 [0,2,0,0,0,0|2,0,0]=4 4484 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 240690a_100102657272_100000100588 [0,2,0,0,0,0|2,0,0]=4 4485 B13R1.95 CNC(=O)c1ccc(cc1Cl)C#N 527a_100102657272_100000100588 [0,2,0,0,0,0|2,0,0]=4 4486 B13R1.95 CNC(=O)c1ccc(cc1Cl)CO 240690a_100102657272_100015659073 [0,2,0,0,0,0|2,0,0]=4 4487 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 34a_100000742945_200000210301 [0,2,0,0,0,0|1,0,0]=3 4488 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 7a_100000742945_200000210301 [0,2,0,0,0,0|1,0,0]=3 4489 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000742945_200025704644 [0,2,0,0,0,0|1,0,0]=3 4490 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000742945_200025704644 [0,2,0,0,0,0|1,0,0]=3 4491 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [0,2,0,0,0,0|0,0,0]=2 4492 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [0,2,0,0,0,0|0,0,0]=2 4493 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [0,2,0,0,0,0|0,0,0]=2 4494 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [0,2,0,0,0,0|0,0,0]=2 4495 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 11a_106832991635_100000238375 [0,2,0,0,0,0|2,0,0]=4 4496 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 1626a_100102657272_100000238375 [0,2,0,0,0,0|2,0,0]=4 4497 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 240690a_100102657272_100000238375 [0,2,0,0,0,0|2,0,0]=4 4498 B13R1.95 CNC(=O)c1ccc(cc1F)C#N 527a_100102657272_100000238375 [0,2,0,0,0,0|2,0,0]=4 4499 B13R1.95 CNC(=O)c1ccc(cc1F)CO 240690a_100102657272_100011934814 [0,2,0,0,0,0|2,0,0]=4 4500 B13R1.95 CNC(=O)c1ccc(cc1F)NC 27a_100102657272_100000233932 [0,2,0,0,0,0|1,0,0]=3 4501 B13R1.95 CNC(=O)c1ccc(cc1F)NC 34a_100011533607_200000210301 [0,2,0,0,0,0|1,0,0]=3 4502 B13R1.95 CNC(=O)c1ccc(cc1F)NC 7a_100011533607_200000210301 [0,2,0,0,0,0|1,0,0]=3 4503 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 34a_100011533607_200025704644 [0,2,0,0,0,0|1,0,0]=3 4504 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 7a_100011533607_200025704644 [0,2,0,0,0,0|1,0,0]=3 4505 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [0,2,0,0,0,0|0,0,0]=2 4506 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [0,2,0,0,0,0|0,0,0]=2 4507 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [0,2,0,0,0,0|0,0,0]=2 4508 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [0,2,0,0,0,0|0,0,0]=2 4509 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_100000233932_200000210301 [0,2,0,0,0,0|0,1,0]=3 4510 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_200000210301_100000233932 [0,2,0,0,0,0|0,1,0]=3 4511 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_100000233932_200025704644 [0,2,0,0,0,0|0,1,0]=3 4512 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000233932 [0,2,0,0,0,0|0,1,0]=3 4513 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [0,2,0,0,0,0|0,0,0]=2 4514 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [0,2,0,0,0,0|0,0,0]=2 4515 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [0,2,0,0,0,0|0,0,0]=2 4516 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [0,2,0,0,0,0|0,0,0]=2 4517 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [0,2,0,0,0,0|1,0,0]=3 4518 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [0,2,0,0,0,0|1,0,0]=3 4519 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,2,0,0,0,0|0,0,0]=2 4520 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,2,0,0,0,0|0,0,0]=2 4521 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,2,0,0,0,0|0,0,0]=2 4522 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,2,0,0,0,0|1,0,1]=4 4523 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,2,0,0,0,0|1,0,1]=4 4524 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,2,0,0,0,0|1,0,1]=4 4525 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,2,0,0,0,0|1,0,1]=4 4526 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|1,0,1]=4 4527 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,2,0,0,0,0|1,0,1]=4 4528 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,2,0,0,0,0|1,0,1]=4 4529 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,2,0,0,0,0|1,0,1]=4 4530 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,2,0,0,0,0|1,0,1]=4 4531 B13R1.95 CNc1cc(c(cn1)C(=O)OC)C 27a_100102657272_100009871181 [0,2,0,0,0,0|2,0,0]=4 4532 B13R1.95 CNc1ccc(c(n1)C)C(=O)OC 27a_100102657272_100000692007 [0,2,0,0,0,0|2,0,0]=4 4533 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|0,0,0]=2 4534 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|0,0,0]=2 4535 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|0,0,0]=2 4536 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|0,0,0]=2 4537 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,2,0,0,0,0|0,1,0]=3 4538 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,2,0,0,0,0|0,1,0]=3 4539 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,2,0,0,0,0|0,1,0]=3 4540 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,2,0,0,0,0|0,1,0]=3 4541 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|0,0,0]=2 4542 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|0,0,0]=2 4543 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|0,0,0]=2 4544 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|0,0,0]=2 4545 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,2,0,0,0,0|0,1,0]=3 4546 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,2,0,0,0,0|0,1,0]=3 4547 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,2,0,0,0,0|0,1,0]=3 4548 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,2,0,0,0,0|0,1,0]=3 4549 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|0,0,0]=2 4550 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|0,0,0]=2 4551 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|0,0,0]=2 4552 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|0,0,0]=2 4553 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,2,0,0,0,0|0,1,0]=3 4554 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,2,0,0,0,0|0,1,0]=3 4555 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,2,0,0,0,0|0,1,0]=3 4556 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,2,0,0,0,0|0,1,0]=3 4557 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|0,0,0]=2 4558 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|0,0,0]=2 4559 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|0,0,0]=2 4560 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|0,0,0]=2 4561 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,2,0,0,0,0|0,1,0]=3 4562 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,2,0,0,0,0|0,1,0]=3 4563 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,2,0,0,0,0|0,1,0]=3 4564 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,2,0,0,0,0|0,1,0]=3 4565 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|0,0,0]=2 4566 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|0,0,0]=2 4567 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|0,0,0]=2 4568 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|0,0,0]=2 4569 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,2,0,0,0,0|0,1,0]=3 4570 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,2,0,0,0,0|0,1,0]=3 4571 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|2,0,0]=4 4572 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|2,0,0]=4 4573 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|0,0,0]=2 4574 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|0,1,0]=3 4575 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|0,1,0]=3 4576 B13R1.95 COC(=O)c1ccc(nc1C)SC 62a_100000692007_200000210301 [0,2,0,0,0,0|1,1,0]=4 4577 B13R1.95 COC(=O)c1ccc(nc1C)SC 62a_200000210301_100000692007 [0,2,0,0,0,0|1,1,0]=4 4578 B13R1.95 COC(=O)c1ccc(nc1C)S[13CH3] 62a_100000692007_200025704644 [0,2,0,0,0,0|1,1,0]=4 4579 B13R1.95 COC(=O)c1ccc(nc1C)S[13CH3] 62a_200025704644_100000692007 [0,2,0,0,0,0|1,1,0]=4 4580 B13R1.95 COC(=O)c1ccc(nc1F)SC 62a_100010189635_200000210301 [0,2,0,0,0,0|1,1,0]=4 4581 B13R1.95 COC(=O)c1ccc(nc1F)SC 62a_200000210301_100010189635 [0,2,0,0,0,0|1,1,0]=4 4582 B13R1.95 COC(=O)c1ccc(nc1F)S[13CH3] 62a_100010189635_200025704644 [0,2,0,0,0,0|1,1,0]=4 4583 B13R1.95 COC(=O)c1ccc(nc1F)S[13CH3] 62a_200025704644_100010189635 [0,2,0,0,0,0|1,1,0]=4 4584 B13R1.95 COC(=O)c1ccc(nc1N)SC 62a_100000142702_200000210301 [0,2,0,0,0,0|1,1,0]=4 4585 B13R1.95 COC(=O)c1ccc(nc1N)S[13CH3] 62a_100000142702_200025704644 [0,2,0,0,0,0|1,1,0]=4 4586 B13R1.95 COC(=O)c1ccc(nc1O)OC 271570a_203496583355_100010136187 [0,2,0,0,0,0|1,0,0]=3 4587 B13R1.95 COC(=O)c1cnc(cc1C)SC 62a_100009871181_200000210301 [0,2,0,0,0,0|1,1,0]=4 4588 B13R1.95 COC(=O)c1cnc(cc1C)SC 62a_200000210301_100009871181 [0,2,0,0,0,0|1,1,0]=4 4589 B13R1.95 COC(=O)c1cnc(cc1C)S[13CH3] 62a_100009871181_200025704644 [0,2,0,0,0,0|1,1,0]=4 4590 B13R1.95 COC(=O)c1cnc(cc1C)S[13CH3] 62a_200025704644_100009871181 [0,2,0,0,0,0|1,1,0]=4 4591 B13R1.95 COC(=O)c1cnc(cc1N)SC 62a_100009862510_200000210301 [0,2,0,0,0,0|1,1,0]=4 4592 B13R1.95 COC(=O)c1cnc(cc1N)SC 62a_200000210301_100009862510 [0,2,0,0,0,0|1,1,0]=4 4593 B13R1.95 COC(=O)c1cnc(cc1N)S[13CH3] 62a_100009862510_200025704644 [0,2,0,0,0,0|1,1,0]=4 4594 B13R1.95 COC(=O)c1cnc(cc1N)S[13CH3] 62a_200025704644_100009862510 [0,2,0,0,0,0|1,1,0]=4 4595 B13R1.95 COC(=O)c1cnc(cc1O)OC 271570a_203496583355_100010136350 [0,2,0,0,0,0|1,0,0]=3 4596 B13R1.95 COC(=O)c1ncc(cc1C)SC 62a_100010178714_200000210301 [0,2,0,0,0,0|1,1,0]=4 4597 B13R1.95 COC(=O)c1ncc(cc1C)SC 62a_200000210301_100010178714 [0,2,0,0,0,0|1,1,0]=4 4598 B13R1.95 COC(=O)c1ncc(cc1C)S[13CH3] 62a_100010178714_200025704644 [0,2,0,0,0,0|1,1,0]=4 4599 B13R1.95 COC(=O)c1ncc(cc1C)S[13CH3] 62a_200025704644_100010178714 [0,2,0,0,0,0|1,1,0]=4 4600 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 34a_100009855505_200000210301 [0,2,0,0,0,0|1,0,0]=3 4601 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 7a_100009855505_200000210301 [0,2,0,0,0,0|1,0,0]=3 4602 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 34a_100009855505_200025704644 [0,2,0,0,0,0|1,0,0]=3 4603 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 7a_100009855505_200025704644 [0,2,0,0,0,0|1,0,0]=3 4604 B13R1.95 COC(=O)c1ncc(cc1F)SC 62a_100000695675_200000210301 [0,2,0,0,0,0|1,1,0]=4 4605 B13R1.95 COC(=O)c1ncc(cc1F)SC 62a_200000210301_100000695675 [0,2,0,0,0,0|1,1,0]=4 4606 B13R1.95 COC(=O)c1ncc(cc1F)S[13CH3] 62a_100000695675_200025704644 [0,2,0,0,0,0|1,1,0]=4 4607 B13R1.95 COC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000695675 [0,2,0,0,0,0|1,1,0]=4 4608 B13R1.95 COC(=O)c1ncc(cc1N)SC 62a_100010090751_200000210301 [0,2,0,0,0,0|1,1,0]=4 4609 B13R1.95 COC(=O)c1ncc(cc1N)SC 62a_200000210301_100010090751 [0,2,0,0,0,0|1,1,0]=4 4610 B13R1.95 COC(=O)c1ncc(cc1N)S[13CH3] 62a_100010090751_200025704644 [0,2,0,0,0,0|1,1,0]=4 4611 B13R1.95 COC(=O)c1ncc(cc1N)S[13CH3] 62a_200025704644_100010090751 [0,2,0,0,0,0|1,1,0]=4 4612 B13R1.95 COC(=O)c1ncc(cc1O)SC 62a_200000210301_100010071521 [0,2,0,0,0,0|1,1,0]=4 4613 B13R1.95 COC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100010071521 [0,2,0,0,0,0|1,1,0]=4 4614 B13R1.95 COc1ccc(c(c1)Br)C(=O)CF 1458a_100000748873_100015361967 [0,2,0,0,0,0|0,0,0]=2 4615 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|0,0,2]=4 4616 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|0,0,2]=4 4617 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|0,0,2]=4 4618 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|0,0,2]=4 4619 B13R1.95 COc1ccc(c(c1)C)C(=O)CF 1458a_100000763155_100015361967 [0,2,0,0,0,0|0,0,0]=2 4620 B13R1.95 COc1ccc(c(c1)C)N(C)CF 269982a_103496583619_100015361967 [0,2,0,0,0,0|2,0,0]=4 4621 B13R1.95 COc1ccc(c(c1)C)N(C)CF 34a_103496583619_100015361967 [0,2,0,0,0,0|2,0,0]=4 4622 B13R1.95 COc1ccc(c(c1)C)N(C)CF 38a_103496583619_100015361967 [0,2,0,0,0,0|2,0,0]=4 4623 B13R1.95 COc1ccc(c(c1)Cl)C(=O)CF 1458a_100000753557_100015361967 [0,2,0,0,0,0|0,0,0]=2 4624 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,2,0,0,0,0|1,0,1]=4 4625 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,2,0,0,0,0|1,0,1]=4 4626 B13R1.95 COc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200000210301 [0,2,0,0,0,0|1,0,1]=4 4627 B13R1.95 COc1ccc(c(c1)F)C(=O)CF 1458a_100000198494_100015361967 [0,2,0,0,0,0|0,0,0]=2 4628 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,2,0,0,0,0|1,0,1]=4 4629 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,2,0,0,0,0|1,0,1]=4 4630 B13R1.95 COc1ccc(c(c1)I)C(=O)CF 1458a_100000688016_100015361967 [0,2,0,0,0,0|0,0,0]=2 4631 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,2,0,0,0,0|0,0,0]=2 4632 B13R1.95 CSc1ccc(c(c1)C)C(=O)CF 1458a_100012278374_100015361967 [0,2,0,0,0,0|0,1,0]=3 4633 B13R1.95 Cc1cc(ccc1C(=O)CF)C#N 1458a_100000691869_100015361967 [0,2,0,0,0,0|2,0,0]=4 4634 B13R1.95 N#Cc1ccc(c(c1)Br)C(=O)CF 1458a_100010244945_100015361967 [0,2,0,0,0,0|2,0,0]=4 4635 B13R1.95 N#Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000100588_100015361967 [0,2,0,0,0,0|2,0,0]=4 4636 B13R1.95 N#Cc1ccc(c(c1)F)C(=O)CF 1458a_100000238375_100015361967 [0,2,0,0,0,0|2,0,0]=4 4637 B13R1.95 O=C(CF)c1ccc(cc1Cl)CO 1458a_100015659073_100015361967 [0,2,0,0,0,0|2,0,0]=4 4638 B13R1.95 O=C(CF)c1ccc(cc1F)CO 1458a_100011934814_100015361967 [0,2,0,0,0,0|2,0,0]=4 4639 B13R1.95 [13CH3]Oc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200025704644 [0,2,0,0,0,0|1,0,1]=4 4640 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CC 271570a_100015277604_100000211647 [0,2,0,0,0,0|1,0,1]=4 4641 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CN 271570a_100015277604_100000017248 [0,2,0,0,0,0|1,0,1]=4 4642 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CO 271570a_100015277604_100011219529 [0,2,0,0,0,0|1,0,1]=4 4643 B13R1.139 C=C=Cc1ccc(cc1)C(=O)NC 271570a_100015277604_100000155074 [0,2,0,0,0,0|1,0,1]=4 4644 B13R1.139 C=C=Cc1ccc(cc1)C(=O)OC 271570a_100015277604_100000150774 [0,2,0,0,0,0|1,0,1]=4 4645 B13R1.139 CC#Cc1ccc(cc1)C(=O)CC 1458a_100009923575_100000210202 [0,2,0,0,0,0|1,0,0]=3 4646 B13R1.139 CC#Cc1ccc(cc1)C(=O)CF 1458a_100009923575_100015361967 [0,2,0,0,0,0|1,0,0]=3 4647 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100009923575 [0,2,0,0,0,0|1,0,0]=3 4648 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100009923575 [0,2,0,0,0,0|1,0,0]=3 4649 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100009923575 [0,2,0,0,0,0|1,0,0]=3 4650 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100009923575 [0,2,0,0,0,0|1,0,0]=3 4651 B13R1.139 CC(=NO)c1ccc(cc1)OCF 34a_100000164205_100015361967 [0,2,0,0,0,0|0,0,1]=3 4652 B13R1.139 CC(CN)c1ccc(cc1)OCF 34a_200015188644_100015361967 [0,2,0,0,0,0|1,0,1]=4 4653 B13R1.139 CC=Cc1ccc(cc1)C(=O)C#N 271570a_100016259895_100009994572 [0,2,0,0,0,0|1,0,1]=4 4654 B13R1.139 CC=Cc1ccc(cc1)C(=O)C=O 271570a_100016259895_100000725942 [0,2,0,0,0,0|1,0,1]=4 4655 B13R1.139 CC=Cc1ccc(cc1)C(=O)CC 271570a_100016259895_100000211647 [0,2,0,0,0,0|1,0,0]=3 4656 B13R1.139 CC=Cc1ccc(cc1)C(=O)CN 271570a_100016259895_100000017248 [0,2,0,0,0,0|1,0,0]=3 4657 B13R1.139 CC=Cc1ccc(cc1)C(=O)CO 271570a_100016259895_100011219529 [0,2,0,0,0,0|1,0,0]=3 4658 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC 271570a_100016259895_100000155074 [0,2,0,0,0,0|1,0,0]=3 4659 B13R1.139 CC=Cc1ccc(cc1)C(=O)NN 271570a_100016259895_100000183614 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,2,0,0,0,0|1,0,0]=3 4661 B13R1.139 CC=Cc1ccc(cn1)C(=O)NC 271570a_100016259895_100000159860 [0,2,0,0,0,0|2,0,0]=4 4662 B13R1.139 CC=Cc1ccc(cn1)C(=O)OC 271570a_100016259895_100000733799 [0,2,0,0,0,0|2,0,0]=4 4663 B13R1.139 CC=Cc1ccc(nc1)C(=O)CC 271570a_100016259895_100012351654 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.139 CC=Cc1ccc(nc1)C(=O)NC 271570a_100016259895_100011781262 [0,2,0,0,0,0|2,0,0]=4 4665 B13R1.139 CC=Cc1ccc(nc1)C(=O)OC 271570a_100016259895_100000690920 [0,2,0,0,0,0|2,0,0]=4 4666 B13R1.139 CCC(=O)c1ccc(cc1)CC#N 1458a_100000693995_100000210202 [0,2,0,0,0,0|1,0,1]=4 4667 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,2,0,0,0,0|1,0,0]=3 4668 B13R1.139 CCC(=O)c1ccc(cc1)CNC 26a_100102657272_100000212119 [0,2,0,0,0,0|1,0,0]=3 4669 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,2,0,0,0,0|0,0,0]=2 4670 B13R1.139 CCC(=O)c1ccc(cc1)CSC 1458a_100000175442_100000210202 [0,2,0,0,0,0|0,1,0]=3 4671 B13R1.139 CCC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_100000210202 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.139 CCC(=O)c1ccc(cc1)OCF 34a_100000212119_100015361967 [0,2,0,0,0,0|0,0,0]=2 4673 B13R1.139 CCC(=O)c1ccc(cc1)OCF 7a_100000212119_100015361967 [0,2,0,0,0,0|0,0,0]=2 4674 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100000211647_100015361967 [0,2,0,0,0,0|0,1,0]=3 4675 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000211647 [0,2,0,0,0,0|0,1,0]=3 4676 B13R1.139 CCC(=O)c1ccc(cn1)SCF 62a_100012351654_100015361967 [0,2,0,0,0,0|1,1,0]=4 4677 B13R1.139 CCC(=O)c1ccc(cn1)SCF 62a_100015361967_100012351654 [0,2,0,0,0,0|1,1,0]=4 4678 B13R1.139 CCC(C)c1ccc(cc1)OCF 34a_100000211540_100015361967 [0,2,0,0,0,0|1,0,1]=4 4679 B13R1.139 CCC(C)c1ccc(cc1)OCF 7a_100000211540_100015361967 [0,2,0,0,0,0|1,0,1]=4 4680 B13R1.139 CCC(N)c1ccc(cc1)OCF 34a_100015187210_100015361967 [0,2,0,0,0,0|1,0,1]=4 4681 B13R1.139 CCCc1ccc(cc1)C(=O)CC 1458a_100011207308_100000210202 [0,2,0,0,0,0|1,0,0]=3 4682 B13R1.139 CCCc1ccc(cc1)C(=O)CF 1458a_100011207308_100015361967 [0,2,0,0,0,0|1,0,0]=3 4683 B13R1.139 CCCc1ccc(cc1)C(=O)NC 11a_106832991635_100011207308 [0,2,0,0,0,0|1,0,0]=3 4684 B13R1.139 CCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100011207308 [0,2,0,0,0,0|1,0,0]=3 4685 B13R1.139 CCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100011207308 [0,2,0,0,0,0|1,0,0]=3 4686 B13R1.139 CCCc1ccc(cc1)C(=O)NC 527a_100102657272_100011207308 [0,2,0,0,0,0|1,0,0]=3 4687 B13R1.139 CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210202 [0,2,0,0,0,0|1,0,0]=3 4688 B13R1.139 CCNc1ccc(cc1)C(=O)NC 27a_100015525214_100000155074 [0,2,0,0,0,0|1,0,0]=3 4689 B13R1.139 CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210202 [0,2,0,0,0,0|1,0,0]=3 4690 B13R1.139 CCNc1ccc(cc1)C(=O)NN 27a_100015525214_100000183614 [0,2,0,0,0,0|2,0,0]=4 4691 B13R1.139 CCNc1ccc(cn1)C(=O)NC 27a_100015525214_100000159860 [0,2,0,0,0,0|2,0,0]=4 4692 B13R1.139 CCNc1ccc(cn1)C(=O)OC 27a_100015525214_100000733799 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.139 CCNc1ccc(nc1)C(=O)NC 27a_100015525214_100011781262 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.139 CCOc1ccc(cc1)C(=NO)C 34a_100000164205_100000210202 [0,2,0,0,0,0|0,0,1]=3 4695 B13R1.139 CCOc1ccc(cc1)C(=NO)N 34a_100000231063_100000210202 [0,2,0,0,0,0|1,0,1]=4 4696 B13R1.139 CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210202 [0,2,0,0,0,0|0,0,0]=2 4697 B13R1.139 CCOc1ccc(cc1)C(=O)CC 1458a_100000181891_100000210202 [0,2,0,0,0,0|0,0,0]=2 4698 B13R1.139 CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210202 [0,2,0,0,0,0|0,0,0]=2 4699 B13R1.139 CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210202 [0,2,0,0,0,0|0,0,0]=2 4700 B13R1.139 CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210202 [0,2,0,0,0,0|0,0,0]=2 4701 B13R1.139 CCOc1ccc(cc1)C(=O)CF 1458a_100000181891_100015361967 [0,2,0,0,0,0|0,0,0]=2 4702 B13R1.139 CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210202 [0,2,0,0,0,0|0,0,0]=2 4703 B13R1.139 CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210202 [0,2,0,0,0,0|0,0,0]=2 4704 B13R1.139 CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000181891 [0,2,0,0,0,0|0,0,0]=2 4705 B13R1.139 CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000181891 [0,2,0,0,0,0|0,0,0]=2 4706 B13R1.139 CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000181891 [0,2,0,0,0,0|0,0,0]=2 4707 B13R1.139 CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210202 [0,2,0,0,0,0|0,0,0]=2 4708 B13R1.139 CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000181891 [0,2,0,0,0,0|0,0,0]=2 4709 B13R1.139 CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210202 [0,2,0,0,0,0|0,0,0]=2 4710 B13R1.139 CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210202 [0,2,0,0,0,0|1,0,0]=3 4711 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [0,2,0,0,0,0|0,0,0]=2 4712 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [0,2,0,0,0,0|0,0,0]=2 4713 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [0,2,0,0,0,0|1,0,1]=4 4714 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [0,2,0,0,0,0|1,0,1]=4 4715 B13R1.139 CCOc1ccc(cc1)C(C)CN 34a_200015188644_100000210202 [0,2,0,0,0,0|1,0,1]=4 4716 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [0,2,0,0,0,0|1,0,1]=4 4717 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [0,2,0,0,0,0|1,0,1]=4 4718 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [0,2,0,0,0,0|1,0,1]=4 4719 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,2,0,0,0,0|0,0,2]=4 4720 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,2,0,0,0,0|0,0,2]=4 4721 B13R1.139 CCOc1ccc(cc1)C(N)CC 34a_100015187210_100000210202 [0,2,0,0,0,0|1,0,1]=4 4722 B13R1.139 CCOc1ccc(cc1)C(O)CN 34a_100000067596_100000210202 [0,2,0,0,0,0|0,0,2]=4 4723 B13R1.139 CCOc1ccc(cc1)N(C)CC 2230a_100025784348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4724 B13R1.139 CCOc1ccc(cc1)N(C)CC 269982a_100025784348_100000204670 [0,2,0,0,0,0|2,0,0]=4 4725 B13R1.139 CCOc1ccc(cc1)N(C)CC 34a_100025784348_100000210202 [0,2,0,0,0,0|2,0,0]=4 4726 B13R1.139 CCOc1ccc(cc1)N(C)CF 269982a_100025784348_100015361967 [0,2,0,0,0,0|2,0,0]=4 4727 B13R1.139 CCOc1ccc(cc1)N(C)CF 34a_100025784348_100015361967 [0,2,0,0,0,0|2,0,0]=4 4728 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,2,0,0,0,0|0,0,2]=4 4729 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,2,0,0,0,0|0,0,2]=4 4730 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,2,0,0,0,0|0,0,2]=4 4731 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,2,0,0,0,0|0,0,2]=4 4732 B13R1.139 CCOc1ccc(nc1)C(=O)NC 34a_100009861314_100000210202 [0,2,0,0,0,0|1,0,0]=3 4733 B13R1.139 CCOc1ccc(nc1)C(=O)NC 7a_100009861314_100000210202 [0,2,0,0,0,0|1,0,0]=3 4734 B13R1.139 CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210202 [0,2,0,0,0,0|1,0,0]=3 4735 B13R1.139 CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210202 [0,2,0,0,0,0|1,0,0]=3 4736 B13R1.139 CCSc1ccc(cc1)C(=O)C#N 62a_100000210202_100009994572 [0,2,0,0,0,0|0,1,1]=4 4737 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000210202_100000725942 [0,2,0,0,0,0|0,1,1]=4 4738 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210202 [0,2,0,0,0,0|0,1,1]=4 4739 B13R1.139 CCSc1ccc(cc1)C(=O)CC 1458a_100000244969_100000210202 [0,2,0,0,0,0|0,1,0]=3 4740 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000210202_100000211647 [0,2,0,0,0,0|0,1,0]=3 4741 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210202 [0,2,0,0,0,0|0,1,0]=3 4742 B13R1.139 CCSc1ccc(cc1)C(=O)CF 1458a_100000244969_100015361967 [0,2,0,0,0,0|0,1,0]=3 4743 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000210202 [0,2,0,0,0,0|0,1,0]=3 4744 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000210202_100000017248 [0,2,0,0,0,0|0,1,0]=3 4745 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100000210202_100011219529 [0,2,0,0,0,0|0,1,0]=3 4746 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210202 [0,2,0,0,0,0|0,1,0]=3 4747 B13R1.139 CCSc1ccc(cc1)C(=O)NC 11a_106832991635_100000244969 [0,2,0,0,0,0|0,1,0]=3 4748 B13R1.139 CCSc1ccc(cc1)C(=O)NC 1626a_100102657272_100000244969 [0,2,0,0,0,0|0,1,0]=3 4749 B13R1.139 CCSc1ccc(cc1)C(=O)NC 240690a_100102657272_100000244969 [0,2,0,0,0,0|0,1,0]=3 4750 B13R1.139 CCSc1ccc(cc1)C(=O)NC 527a_100102657272_100000244969 [0,2,0,0,0,0|0,1,0]=3 4751 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210202 [0,2,0,0,0,0|0,1,0]=3 4752 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000210202_100000155074 [0,2,0,0,0,0|0,1,0]=3 4753 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000183614_100000210202 [0,2,0,0,0,0|1,1,0]=4 4754 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000210202_100000183614 [0,2,0,0,0,0|1,1,0]=4 4755 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [0,2,0,0,0,0|0,1,0]=3 4756 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [0,2,0,0,0,0|0,1,0]=3 4757 B13R1.139 CCSc1ccc(cn1)C(=O)NC 62a_100000159860_100000210202 [0,2,0,0,0,0|1,1,0]=4 4758 B13R1.139 CCSc1ccc(cn1)C(=O)NC 62a_100000210202_100000159860 [0,2,0,0,0,0|1,1,0]=4 4759 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000210202_100000733799 [0,2,0,0,0,0|1,1,0]=4 4760 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210202 [0,2,0,0,0,0|1,1,0]=4 4761 B13R1.139 CCSc1ccc(nc1)C(=O)CC 62a_100000210202_100012351654 [0,2,0,0,0,0|1,1,0]=4 4762 B13R1.139 CCSc1ccc(nc1)C(=O)CC 62a_100012351654_100000210202 [0,2,0,0,0,0|1,1,0]=4 4763 B13R1.139 CCSc1ccc(nc1)C(=O)NC 62a_100000210202_100011781262 [0,2,0,0,0,0|1,1,0]=4 4764 B13R1.139 CCSc1ccc(nc1)C(=O)NC 62a_100011781262_100000210202 [0,2,0,0,0,0|1,1,0]=4 4765 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100000210202_100102712061 [0,2,0,0,0,0|1,1,0]=4 4766 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210202 [0,2,0,0,0,0|1,1,0]=4 4767 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 11a_106832991635_100000693995 [0,2,0,0,0,0|1,0,1]=4 4768 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 1626a_100102657272_100000693995 [0,2,0,0,0,0|1,0,1]=4 4769 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 240690a_100102657272_100000693995 [0,2,0,0,0,0|1,0,1]=4 4770 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 527a_100102657272_100000693995 [0,2,0,0,0,0|1,0,1]=4 4771 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,2,0,0,0,0|1,0,0]=3 4772 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,2,0,0,0,0|1,0,0]=3 4773 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 2230a_100000743749_200025704644 [0,2,0,0,0,0|1,0,0]=3 4774 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 34a_100000743749_200025704644 [0,2,0,0,0,0|1,0,0]=3 4775 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,2,0,0,0,0|0,0,0]=2 4776 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,2,0,0,0,0|0,0,0]=2 4777 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,2,0,0,0,0|0,0,0]=2 4778 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,2,0,0,0,0|0,0,0]=2 4779 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,2,0,0,0,0|0,0,0]=2 4780 B13R1.139 CNC(=O)c1ccc(cc1)CSC 11a_106832991635_100000175442 [0,2,0,0,0,0|0,1,0]=3 4781 B13R1.139 CNC(=O)c1ccc(cc1)CSC 1626a_100102657272_100000175442 [0,2,0,0,0,0|0,1,0]=3 4782 B13R1.139 CNC(=O)c1ccc(cc1)CSC 240690a_100102657272_100000175442 [0,2,0,0,0,0|0,1,0]=3 4783 B13R1.139 CNC(=O)c1ccc(cc1)CSC 527a_100102657272_100000175442 [0,2,0,0,0,0|0,1,0]=3 4784 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_100000753832_200000210301 [0,2,0,0,0,0|0,1,0]=3 4785 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_200000210301_100000753832 [0,2,0,0,0,0|0,1,0]=3 4786 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_100000753832_200025704644 [0,2,0,0,0,0|0,1,0]=3 4787 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000753832 [0,2,0,0,0,0|0,1,0]=3 4788 B13R1.139 CNC(=O)c1ccc(cc1)N=[N+]=[N-] 11a_106832991635_100000039380 [0,2,0,0,0,0|2,0,0]=4 4789 B13R1.139 CNC(=O)c1ccc(cc1)N=[N+]=[N-] 240690a_100102657272_100000039380 [0,2,0,0,0,0|2,0,0]=4 4790 B13R1.139 CNC(=O)c1ccc(cc1)NCF 34a_100000184841_100015361967 [0,2,0,0,0,0|1,0,0]=3 4791 B13R1.139 CNC(=O)c1ccc(cc1)OCF 34a_100000192141_100015361967 [0,2,0,0,0,0|0,0,0]=2 4792 B13R1.139 CNC(=O)c1ccc(cc1)OCF 7a_100000192141_100015361967 [0,2,0,0,0,0|0,0,0]=2 4793 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100000155074_100015361967 [0,2,0,0,0,0|0,1,0]=3 4794 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000155074 [0,2,0,0,0,0|0,1,0]=3 4795 B13R1.139 CNC(=O)c1ccc(cn1)OCF 34a_100009861314_100015361967 [0,2,0,0,0,0|1,0,0]=3 4796 B13R1.139 CNC(=O)c1ccc(cn1)OCF 7a_100009861314_100015361967 [0,2,0,0,0,0|1,0,0]=3 4797 B13R1.139 CNC(=O)c1ccc(cn1)SCF 62a_100011781262_100015361967 [0,2,0,0,0,0|1,1,0]=4 4798 B13R1.139 CNC(=O)c1ccc(cn1)SCF 62a_100015361967_100011781262 [0,2,0,0,0,0|1,1,0]=4 4799 B13R1.139 CNC(=O)c1ccc(nc1)SCF 62a_100000159860_100015361967 [0,2,0,0,0,0|1,1,0]=4 4800 B13R1.139 CNC(=O)c1ccc(nc1)SCF 62a_100015361967_100000159860 [0,2,0,0,0,0|1,1,0]=4 4801 B13R1.139 CNCc1ccc(cc1)C(=O)CBr 26a_100102657272_100009814261 [0,2,0,0,0,0|1,0,0]=3 4802 B13R1.139 CNCc1ccc(cc1)C(=O)CCl 26a_100102657272_100000018856 [0,2,0,0,0,0|1,0,0]=3 4803 B13R1.139 CNCc1ccc(cc1)C(=O)CF 26a_100102657272_200010654591 [0,2,0,0,0,0|1,0,0]=3 4804 B13R1.139 CNCc1ccc(cc1)C(=O)NC 207a_100102657272_100000043907 [0,2,0,0,0,0|1,0,0]=3 4805 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_100000743749_200000210301 [0,2,0,0,0,0|1,0,0]=3 4806 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_106832991635_100000753832 [0,2,0,0,0,0|1,0,0]=3 4807 B13R1.139 CNCc1ccc(cc1)C(=O)NC 270004a_106832991635_100000043907 [0,2,0,0,0,0|1,0,0]=3 4808 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100000743749_200000210301 [0,2,0,0,0,0|1,0,0]=3 4809 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100102657272_100000753832 [0,2,0,0,0,0|1,0,0]=3 4810 B13R1.139 CNCc1ccc(cc1)C(=O)NC 7a_106832991635_100000753832 [0,2,0,0,0,0|1,0,0]=3 4811 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,2,0,0,0,0|1,0,0]=3 4812 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,2,0,0,0,0|1,0,0]=3 4813 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,2,0,0,0,0|1,0,0]=3 4814 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,2,0,0,0,0|1,0,0]=3 4815 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,2,0,0,0,0|1,0,0]=3 4816 B13R1.139 CNCc1ccc(cn1)C(=O)OC 2230a_106832991635_100000063545 [0,2,0,0,0,0|2,0,0]=4 4817 B13R1.139 CNCc1ccc(cn1)C(=O)OC 270004a_106832991635_100000762506 [0,2,0,0,0,0|2,0,0]=4 4818 B13R1.139 CNCc1ccc(cn1)C(=O)OC 34a_100102657272_100010230174 [0,2,0,0,0,0|2,0,0]=4 4819 B13R1.139 CNCc1ccc(cn1)C(=O)OC 7a_106832991635_100000063545 [0,2,0,0,0,0|2,0,0]=4 4820 B13R1.139 CNCc1ccc(nc1)C(=O)OC 2230a_106832991635_100010177729 [0,2,0,0,0,0|2,0,0]=4 4821 B13R1.139 CNCc1ccc(nc1)C(=O)OC 270004a_106832991635_102516457225 [0,2,0,0,0,0|2,0,0]=4 4822 B13R1.139 CNCc1ccc(nc1)C(=O)OC 34a_100102657272_100010177729 [0,2,0,0,0,0|2,0,0]=4 4823 B13R1.139 CNCc1ccc(nc1)C(=O)OC 7a_106832991635_100010177729 [0,2,0,0,0,0|2,0,0]=4 4824 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|0,0,0]=2 4825 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|0,0,0]=2 4826 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,2,0,0,0,0|0,1,0]=3 4827 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,2,0,0,0,0|0,1,0]=3 4828 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,2,0,0,0,0|0,1,0]=3 4829 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,2,0,0,0,0|0,1,0]=3 4830 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [0,2,0,0,0,0|0,0,0]=2 4831 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [0,2,0,0,0,0|0,0,0]=2 4832 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100000150774_100015361967 [0,2,0,0,0,0|0,1,0]=3 4833 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100015361967_100000150774 [0,2,0,0,0,0|0,1,0]=3 4834 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 34a_100009873365_200025704644 [0,2,0,0,0,0|1,0,0]=3 4835 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 7a_100009873365_200025704644 [0,2,0,0,0,0|1,0,0]=3 4836 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_100010177729_200000210301 [0,2,0,0,0,0|1,1,0]=4 4837 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_200000210301_100010177729 [0,2,0,0,0,0|1,1,0]=4 4838 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_100010177729_200025704644 [0,2,0,0,0,0|1,1,0]=4 4839 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_200025704644_100010177729 [0,2,0,0,0,0|1,1,0]=4 4840 B13R1.139 COC(=O)c1ccc(cn1)OCF 34a_100011997255_100015361967 [0,2,0,0,0,0|1,0,0]=3 4841 B13R1.139 COC(=O)c1ccc(cn1)OCF 7a_100011997255_100015361967 [0,2,0,0,0,0|1,0,0]=3 4842 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100015361967_100102712061 [0,2,0,0,0,0|1,1,0]=4 4843 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100102712061_100015361967 [0,2,0,0,0,0|1,1,0]=4 4844 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,2,0,0,0,0|1,0,0]=3 4845 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_100010230174_200000210301 [0,2,0,0,0,0|1,1,0]=4 4846 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_200000210301_100010230174 [0,2,0,0,0,0|1,1,0]=4 4847 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_100010230174_200025704644 [0,2,0,0,0,0|1,1,0]=4 4848 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_200025704644_100010230174 [0,2,0,0,0,0|1,1,0]=4 4849 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100000733799_100015361967 [0,2,0,0,0,0|1,1,0]=4 4850 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100015361967_100000733799 [0,2,0,0,0,0|1,1,0]=4 4851 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,2,0,0,0,0|0,0,2]=4 4852 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,2,0,0,0,0|0,0,2]=4 4853 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,2,0,0,0,0|0,0,0]=2 4854 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|0,0,0]=2 4855 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|0,0,0]=2 4856 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|0,0,0]=2 4857 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,2,0,0,0,0|1,0,0]=3 4858 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,2,0,0,0,0|1,0,0]=3 4859 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100009873365_200000210301 [0,2,0,0,0,0|1,0,0]=3 4860 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100138415774_100010177729 [0,2,0,0,0,0|1,0,0]=3 4861 B13R1.139 COCc1ccc(nc1)C(=O)OC 7a_100009873365_200000210301 [0,2,0,0,0,0|1,0,0]=3 4862 B13R1.139 COCc1cnc(cn1)C(=O)OC 34a_100138415774_200010203303 [0,2,0,0,0,0|2,0,0]=4 4863 B13R1.139 CSCc1ccc(cc1)C(=O)CF 1458a_100000175442_100015361967 [0,2,0,0,0,0|0,1,0]=3 4864 B13R1.139 N#CC(=O)c1ccc(cc1)SCF 62a_100015361967_100009994572 [0,2,0,0,0,0|0,1,1]=4 4865 B13R1.139 N#CCc1ccc(cc1)C(=O)CF 1458a_100000693995_100015361967 [0,2,0,0,0,0|1,0,1]=4 4866 B13R1.139 NC(=NO)c1ccc(cc1)OCF 34a_100000231063_100015361967 [0,2,0,0,0,0|1,0,1]=4 4867 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100000017248_100015361967 [0,2,0,0,0,0|0,1,0]=3 4868 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000017248 [0,2,0,0,0,0|0,1,0]=3 4869 B13R1.139 NCC(O)c1ccc(cc1)OCF 34a_100000067596_100015361967 [0,2,0,0,0,0|0,0,2]=4 4870 B13R1.139 NNC(=O)c1ccc(cc1)OCF 34a_100000185078_100015361967 [0,2,0,0,0,0|1,0,0]=3 4871 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100000183614_100015361967 [0,2,0,0,0,0|1,1,0]=4 4872 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000183614 [0,2,0,0,0,0|1,1,0]=4 4873 B13R1.139 O=C(CBr)c1ccc(cc1)OCF 7a_100009814261_100015361967 [0,2,0,0,0,0|0,0,0]=2 4874 B13R1.139 O=C(CCl)c1ccc(cc1)OCF 7a_100000018856_100015361967 [0,2,0,0,0,0|0,0,0]=2 4875 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,2,0,0,0,0|1,0,0]=3 4876 B13R1.139 O=C(CF)c1ccc(cc1)OCF 34a_200010654591_100015361967 [0,2,0,0,0,0|0,0,0]=2 4877 B13R1.139 O=C(CF)c1ccc(cc1)OCF 7a_200010654591_100015361967 [0,2,0,0,0,0|0,0,0]=2 4878 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100011219529_100015361967 [0,2,0,0,0,0|0,1,0]=3 4879 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100015361967_100011219529 [0,2,0,0,0,0|0,1,0]=3 4880 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100000725942_100015361967 [0,2,0,0,0,0|0,1,1]=4 4881 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000725942 [0,2,0,0,0,0|0,1,1]=4 4882 B13R1.139 [N-]=[N+]=Nc1ccc(cc1)C(=O)CF 1458a_100000039380_100015361967 [0,2,0,0,0,0|2,0,0]=4 4883 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 34a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 4884 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 7a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 4885 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_100010228009_200025704644 [0,2,0,0,0,0|0,1,1]=4 4886 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010228009 [0,2,0,0,0,0|0,1,1]=4 4887 B13R1.187 CCC(C)(C)c1ccc(cc1)OC 7a_100000211029_200000210301 [0,2,0,0,0,0|1,0,1]=4 4888 B13R1.187 CCC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000211029_200025704644 [0,2,0,0,0,0|1,0,1]=4 4889 B13R1.187 CCS(=O)(=O)c1ccc(cc1)NC 34a_100000737813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4890 B13R1.187 CCS(=O)(=O)c1ccc(cc1)NC 7a_100000737813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4891 B13R1.187 CCS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000737813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4892 B13R1.187 CCS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000737813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4893 B13R1.187 CCS(=O)(=O)c1ccc(cc1)SC 62a_100000765143_200000210301 [0,2,0,0,0,0|1,1,0]=4 4894 B13R1.187 CCS(=O)(=O)c1ccc(cc1)SC 62a_200000210301_100000765143 [0,2,0,0,0,0|1,1,0]=4 4895 B13R1.187 CCS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765143_200025704644 [0,2,0,0,0,0|1,1,0]=4 4896 B13R1.187 CCS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765143 [0,2,0,0,0,0|1,1,0]=4 4897 B13R1.187 CCc1ccc(cc1)S(=O)(=O)NC 270084a_100102657272_100000212210 [0,2,0,0,0,0|2,0,0]=4 4898 B13R1.187 CCc1ccc(cc1)S(=O)(=O)NC 274078a_100102657272_100000212210 [0,2,0,0,0,0|2,0,0]=4 4899 B13R1.187 CNC(C)(C)c1ccc(cc1)OC 2230a_200015186604_200000210301 [0,2,0,0,0,0|1,0,1]=4 4900 B13R1.187 CNS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000184917_200025704644 [0,2,0,0,0,0|2,0,0]=4 4901 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 270084a_100102657272_100000182833 [0,2,0,0,0,0|1,0,0]=3 4902 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 274078a_100102657272_100000182833 [0,2,0,0,0,0|1,0,0]=3 4903 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 270084a_100102657272_100000747762 [0,2,0,0,0,0|1,1,0]=4 4904 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 274078a_100102657272_100000747762 [0,2,0,0,0,0|1,1,0]=4 4905 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 62a_100000754977_200000210301 [0,2,0,0,0,0|1,1,0]=4 4906 B13R1.187 CNS(=O)(=O)c1ccc(cc1)SC 62a_200000210301_100000754977 [0,2,0,0,0,0|1,1,0]=4 4907 B13R1.187 CNS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000754977_200025704644 [0,2,0,0,0,0|1,1,0]=4 4908 B13R1.187 CNS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000754977 [0,2,0,0,0,0|1,1,0]=4 4909 B13R1.187 CNS(=O)(=O)c1ccc(nc1)OC 270084a_100102657272_100000756427 [0,2,0,0,0,0|2,0,0]=4 4910 B13R1.187 CNS(=O)(=O)c1ccc(nc1)OC 274078a_100102657272_100000756427 [0,2,0,0,0,0|2,0,0]=4 4911 B13R1.187 CNc1ccc(cc1)S(=O)(=O)NC 34a_100000184917_200000210301 [0,2,0,0,0,0|2,0,0]=4 4912 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 34a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 4913 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 7a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 4914 B13R1.187 COc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200015186604_200025704644 [0,2,0,0,0,0|1,0,1]=4 4915 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|0,0,2]=4 4916 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|0,0,2]=4 4917 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|0,0,2]=4 4918 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|0,0,2]=4 4919 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_100010228009_200000210301 [0,2,0,0,0,0|0,1,1]=4 4920 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_200000210301_100010228009 [0,2,0,0,0,0|0,1,1]=4 4921 B13R1.452 C#CCC(=O)c1ccc(cc1)C#C 1458a_100011217615_100000184674 [0,2,0,0,0,0|1,0,1]=4 4922 B13R1.452 C#CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000184674 [0,2,0,0,0,0|2,0,0]=4 4923 B13R1.452 C#CCC(=O)c1ccc(cc1)C=C 1458a_100000687532_100000184674 [0,2,0,0,0,0|1,0,1]=4 4924 B13R1.452 C#CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000184674 [0,2,0,0,0,0|1,0,0]=3 4925 B13R1.452 C#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000184674 [0,2,0,0,0,0|2,0,0]=4 4926 B13R1.452 C#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000184674 [0,2,0,0,0,0|0,0,0]=2 4927 B13R1.452 C#CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000184674 [0,2,0,0,0,0|0,1,0]=3 4928 B13R1.452 C#CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000038162 [0,2,0,0,0,0|2,0,0]=4 4929 B13R1.452 C#CCN(C)c1ccc(cc1)OC 34a_100000220023_100000184674 [0,2,0,0,0,0|2,0,0]=4 4930 B13R1.452 C#Cc1ccc(cc1)C(=O)CC#N 1458a_100011217615_100011214920 [0,2,0,0,0,0|1,0,1]=4 4931 B13R1.452 C#Cc1ccc(cc1)C(=O)CC=C 1458a_100011217615_100000210623 [0,2,0,0,0,0|1,0,1]=4 4932 B13R1.452 C#Cc1ccc(cc1)C(=O)CCC 1458a_100011217615_100000210303 [0,2,0,0,0,0|1,0,1]=4 4933 B13R1.452 C#Cc1ccc(cc1)C(=O)CCF 1458a_100011217615_100011217306 [0,2,0,0,0,0|1,0,1]=4 4934 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,2,0,0,0,0|1,0,1]=4 4935 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100011217615 [0,2,0,0,0,0|1,0,1]=4 4936 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100011217615 [0,2,0,0,0,0|1,0,1]=4 4937 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100011217615 [0,2,0,0,0,0|1,0,1]=4 4938 B13R1.452 C#Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100011217615 [0,2,0,0,0,0|1,0,1]=4 4939 B13R1.452 C=CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210623 [0,2,0,0,0,0|2,0,0]=4 4940 B13R1.452 C=CCC(=O)c1ccc(cc1)C=C 1458a_100000687532_100000210623 [0,2,0,0,0,0|1,0,1]=4 4941 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,2,0,0,0,0|1,0,0]=3 4942 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,2,0,0,0,0|2,0,0]=4 4943 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,2,0,0,0,0|0,0,0]=2 4944 B13R1.452 C=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210623 [0,2,0,0,0,0|0,1,0]=3 4945 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,2,0,0,0,0|2,0,0]=4 4946 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,2,0,0,0,0|2,0,0]=4 4947 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,2,0,0,0,0|2,0,0]=4 4948 B13R1.452 C=Cc1ccc(cc1)C(=O)C#CC 271570a_100011290941_100153741113 [0,2,0,0,0,0|1,0,1]=4 4949 B13R1.452 C=Cc1ccc(cc1)C(=O)CC#N 1458a_100000687532_100011214920 [0,2,0,0,0,0|1,0,1]=4 4950 B13R1.452 C=Cc1ccc(cc1)C(=O)CC#N 271570a_100011290941_100000740217 [0,2,0,0,0,0|1,0,1]=4 4951 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 1458a_100000687532_100000210303 [0,2,0,0,0,0|1,0,1]=4 4952 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 271570a_100011290941_100011267722 [0,2,0,0,0,0|1,0,1]=4 4953 B13R1.452 C=Cc1ccc(cc1)C(=O)CCF 1458a_100000687532_100011217306 [0,2,0,0,0,0|1,0,1]=4 4954 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,2,0,0,0,0|1,0,1]=4 4955 B13R1.452 C=Cc1ccc(cc1)C(=O)COC 271570a_100011290941_200011343064 [0,2,0,0,0,0|1,0,1]=4 4956 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100000687532 [0,2,0,0,0,0|1,0,1]=4 4957 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100000687532 [0,2,0,0,0,0|1,0,1]=4 4958 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 271570a_100011290941_100000155177 [0,2,0,0,0,0|1,0,1]=4 4959 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100000687532 [0,2,0,0,0,0|1,0,1]=4 4960 B13R1.452 C=Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100000687532 [0,2,0,0,0,0|1,0,1]=4 4961 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [0,2,0,0,0,0|1,0,1]=4 4962 B13R1.452 CC#CC(=O)c1ccc(cc1)SC 62a_200000210301_100153741113 [0,2,0,0,0,0|0,1,0]=3 4963 B13R1.452 CC#CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100153741113 [0,2,0,0,0,0|0,1,0]=3 4964 B13R1.452 CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210303 [0,2,0,0,0,0|2,0,0]=4 4965 B13R1.452 CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210303 [0,2,0,0,0,0|1,0,0]=3 4966 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,2,0,0,0,0|2,0,0]=4 4967 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,2,0,0,0,0|0,0,0]=2 4968 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,2,0,0,0,0|0,0,0]=2 4969 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,2,0,0,0,0|0,0,0]=2 4970 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,2,0,0,0,0|0,0,0]=2 4971 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,2,0,0,0,0|0,0,0]=2 4972 B13R1.452 CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210303 [0,2,0,0,0,0|0,1,0]=3 4973 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_100011267722_200000210301 [0,2,0,0,0,0|0,1,0]=3 4974 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011267722 [0,2,0,0,0,0|0,1,0]=3 4975 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011267722_200025704644 [0,2,0,0,0,0|0,1,0]=3 4976 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011267722 [0,2,0,0,0,0|0,1,0]=3 4977 B13R1.452 CCCC(=O)c1ccc(nc1)NC 27a_100102657272_200012185933 [0,2,0,0,0,0|2,0,0]=4 4978 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200000210301_200012185933 [0,2,0,0,0,0|1,1,0]=4 4979 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200012185933_200000210301 [0,2,0,0,0,0|1,1,0]=4 4980 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200012185933_200025704644 [0,2,0,0,0,0|1,1,0]=4 4981 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_200012185933 [0,2,0,0,0,0|1,1,0]=4 4982 B13R1.452 CCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.452 CCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 4984 B13R1.452 CCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 4985 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 11a_100015525214_100000210717 [0,2,0,0,0,0|2,0,0]=4 4986 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 240690a_100015525214_100000210717 [0,2,0,0,0,0|2,0,0]=4 4987 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 527a_100015525214_100000210717 [0,2,0,0,0,0|2,0,0]=4 4988 B13R1.452 CCNC(=O)c1ccc(cc1)CC 11a_100015525214_100000211226 [0,2,0,0,0,0|1,0,0]=3 4989 B13R1.452 CCNC(=O)c1ccc(cc1)CC 240690a_100015525214_100000211226 [0,2,0,0,0,0|1,0,0]=3 4990 B13R1.452 CCNC(=O)c1ccc(cc1)CC 527a_100015525214_100000211226 [0,2,0,0,0,0|1,0,0]=3 4991 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.452 CCNC(=O)c1ccc(cc1)NC 2230a_100000741011_200000210301 [0,2,0,0,0,0|1,0,0]=3 4993 B13R1.452 CCNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155177 [0,2,0,0,0,0|1,0,0]=3 4994 B13R1.452 CCNC(=O)c1ccc(cc1)NC 34a_100000741011_200000210301 [0,2,0,0,0,0|1,0,0]=3 4995 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000741011_200025704644 [0,2,0,0,0,0|1,0,0]=3 4996 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000741011_200025704644 [0,2,0,0,0,0|1,0,0]=3 4997 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [0,2,0,0,0,0|0,0,0]=2 4998 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [0,2,0,0,0,0|0,0,0]=2 4999 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [0,2,0,0,0,0|0,0,0]=2 5000 B13R1.452 CCNC(=O)c1ccc(cc1)SC 11a_100015525214_100000189692 [0,2,0,0,0,0|0,1,0]=3 5001 B13R1.452 CCNC(=O)c1ccc(cc1)SC 240690a_100015525214_100000189692 [0,2,0,0,0,0|0,1,0]=3 5002 B13R1.452 CCNC(=O)c1ccc(cc1)SC 527a_100015525214_100000189692 [0,2,0,0,0,0|0,1,0]=3 5003 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_100000155177_200000210301 [0,2,0,0,0,0|0,1,0]=3 5004 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155177 [0,2,0,0,0,0|0,1,0]=3 5005 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155177_200025704644 [0,2,0,0,0,0|0,1,0]=3 5006 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155177 [0,2,0,0,0,0|0,1,0]=3 5007 B13R1.452 CCNC(=O)c1ccc(cn1)NC 27a_100102657272_200011781264 [0,2,0,0,0,0|2,0,0]=4 5008 B13R1.452 CCNC(=O)c1ccc(cn1)SC 62a_200000210301_200011781264 [0,2,0,0,0,0|1,1,0]=4 5009 B13R1.452 CCNC(=O)c1ccc(cn1)SC 62a_200011781264_200000210301 [0,2,0,0,0,0|1,1,0]=4 5010 B13R1.452 CCNC(=O)c1ccc(cn1)S[13CH3] 62a_200011781264_200025704644 [0,2,0,0,0,0|1,1,0]=4 5011 B13R1.452 CCNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_200011781264 [0,2,0,0,0,0|1,1,0]=4 5012 B13R1.452 CCNC(=O)c1ccc(nc1)NC 27a_100102657272_100000160145 [0,2,0,0,0,0|2,0,0]=4 5013 B13R1.452 CCNC(=O)c1ccc(nc1)SC 62a_100000160145_200000210301 [0,2,0,0,0,0|1,1,0]=4 5014 B13R1.452 CCNC(=O)c1ccc(nc1)SC 62a_200000210301_100000160145 [0,2,0,0,0,0|1,1,0]=4 5015 B13R1.452 CCNC(=O)c1ccc(nc1)S[13CH3] 62a_100000160145_200025704644 [0,2,0,0,0,0|1,1,0]=4 5016 B13R1.452 CCNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000160145 [0,2,0,0,0,0|1,1,0]=4 5017 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,2,0,0,0,0|1,0,1]=4 5018 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,2,0,0,0,0|1,0,1]=4 5019 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,2,0,0,0,0|0,0,0]=2 5020 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,2,0,0,0,0|0,0,0]=2 5021 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,2,0,0,0,0|0,0,0]=2 5022 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,2,0,0,0,0|0,0,0]=2 5023 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,2,0,0,0,0|0,1,0]=3 5024 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,2,0,0,0,0|0,1,0]=3 5025 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,2,0,0,0,0|0,1,0]=3 5026 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,2,0,0,0,0|0,1,0]=3 5027 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_100011781174_200000210301 [0,2,0,0,0,0|1,1,0]=4 5028 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_200000210301_100011781174 [0,2,0,0,0,0|1,1,0]=4 5029 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_100011781174_200025704644 [0,2,0,0,0,0|1,1,0]=4 5030 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781174 [0,2,0,0,0,0|1,1,0]=4 5031 B13R1.452 CCOC(=O)c1ccc(nc1)NC 27a_100102657272_100000170224 [0,2,0,0,0,0|2,0,0]=4 5032 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_100011291635_200000210301 [0,2,0,0,0,0|1,1,0]=4 5033 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_200000210301_100000170224 [0,2,0,0,0,0|1,1,0]=4 5034 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_100011291635_200025704644 [0,2,0,0,0,0|1,1,0]=4 5035 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000170224 [0,2,0,0,0,0|1,1,0]=4 5036 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|0,0,2]=4 5037 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|0,0,2]=4 5038 B13R1.452 CCc1ccc(cc1)C(=O)CC#N 1458a_100000211226_100011214920 [0,2,0,0,0,0|1,0,0]=3 5039 B13R1.452 CCc1ccc(cc1)C(=O)CCF 1458a_100000211226_100011217306 [0,2,0,0,0,0|1,0,0]=3 5040 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|1,0,0]=3 5041 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,2,0,0,0,0|1,0,0]=3 5042 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,2,0,0,0,0|1,0,0]=3 5043 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_100000689809_200000210301 [0,2,0,0,0,0|1,0,0]=3 5044 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000689809 [0,2,0,0,0,0|1,0,0]=3 5045 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000689809_200025704644 [0,2,0,0,0,0|1,0,0]=3 5046 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000689809 [0,2,0,0,0,0|1,0,0]=3 5047 B13R1.452 CCc1ccc(cc1)C(=O)NNC 22a_100016993582_100000211226 [0,2,0,0,0,0|1,0,0]=3 5048 B13R1.452 CNCC(=O)c1ccc(cc1)C#N 2230a_106832991635_100000212069 [0,2,0,0,0,0|2,0,0]=4 5049 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,2,0,0,0,0|0,0,0]=2 5050 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,2,0,0,0,0|0,0,0]=2 5051 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,2,0,0,0,0|0,1,0]=3 5052 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,2,0,0,0,0|0,1,0]=3 5053 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 5054 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 5055 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|0,0,2]=4 5056 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|0,0,2]=4 5057 B13R1.452 CNNC(=O)c1ccc(cc1)C#N 22a_100016993582_100000210717 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,2,0,0,0,0|0,0,0]=2 5060 B13R1.452 CNNC(=O)c1ccc(cc1)SC 22a_100016993582_100000189692 [0,2,0,0,0,0|0,1,0]=3 5061 B13R1.452 COCC(=O)c1ccc(cc1)C#N 34a_100011592799_200000210301 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|0,0,0]=2 5063 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|0,0,0]=2 5064 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|0,0,0]=2 5065 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|0,0,0]=2 5066 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,2,0,0,0,0|0,1,0]=3 5067 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,2,0,0,0,0|0,1,0]=3 5068 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,2,0,0,0,0|0,1,0]=3 5069 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|1,0,1]=4 5070 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,2,0,0,0,0|1,0,1]=4 5071 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,2,0,0,0,0|1,0,1]=4 5072 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,2,0,0,0,0|0,0,0]=2 5073 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,2,0,0,0,0|0,0,0]=2 5074 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,2,0,0,0,0|0,0,0]=2 5075 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,2,0,0,0,0|0,0,0]=2 5076 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|0,0,0]=2 5077 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,2,0,0,0,0|0,0,0]=2 5078 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,2,0,0,0,0|0,0,0]=2 5079 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,2,0,0,0,0|0,0,0]=2 5080 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,2,0,0,0,0|0,0,0]=2 5081 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,2,0,0,0,0|0,0,2]=4 5082 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,2,0,0,0,0|0,0,2]=4 5083 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|1,0,1]=4 5084 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 5085 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 5086 B13R1.452 COc1ccc(cc1)N(C)CC#N 2230a_100000220023_100011215382 [0,2,0,0,0,0|2,0,0]=4 5087 B13R1.452 COc1ccc(cc1)N(C)CC#N 269982a_100000220023_100011214920 [0,2,0,0,0,0|2,0,0]=4 5088 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,2,0,0,0,0|1,0,0]=3 5089 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,2,0,0,0,0|1,0,0]=3 5090 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,2,0,0,0,0|1,0,0]=3 5091 B13R1.452 COc1ccc(cc1)N(C)CCF 2230a_100000220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.452 COc1ccc(cc1)N(C)CCF 269982a_100000220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.452 COc1ccc(cc1)N(C)CCF 34a_100000220023_100011217306 [0,2,0,0,0,0|2,0,0]=4 5094 B13R1.452 COc1ccc(cc1)N(C)CCO 2230a_100000220023_100000211926 [0,2,0,0,0,0|1,0,1]=4 5095 B13R1.452 COc1ccc(cc1)N(C)CCO 269982a_100000220023_100000211926 [0,2,0,0,0,0|1,0,1]=4 5096 B13R1.452 COc1ccc(cc1)N(C)CCO 34a_100000220023_100000211926 [0,2,0,0,0,0|1,0,1]=4 5097 B13R1.452 COc1ccc(cc1)N(C)CSC 2230a_100000220023_100011218213 [0,2,0,0,0,0|1,1,0]=4 5098 B13R1.452 COc1ccc(cc1)N(C)CSC 269982a_100000220023_100011218213 [0,2,0,0,0,0|1,1,0]=4 5099 B13R1.452 COc1ccc(cc1)N(C)CSC 34a_100000220023_100011218213 [0,2,0,0,0,0|1,1,0]=4 5100 B13R1.452 CSCC(=O)c1ccc(cc1)C#N 62a_100000212069_200000210301 [0,2,0,0,0,0|2,0,0]=4 5101 B13R1.452 CSCC(=O)c1ccc(cc1)C#N 62a_200000210301_100000212069 [0,2,0,0,0,0|2,0,0]=4 5102 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_100011216809_200000210301 [0,2,0,0,0,0|0,1,0]=3 5103 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_200000210301_100011216809 [0,2,0,0,0,0|0,1,0]=3 5104 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200000210301_200020603514 [0,2,0,0,0,0|1,1,0]=4 5105 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200000210301 [0,2,0,0,0,0|1,1,0]=4 5106 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 1458a_100000189692_100011214920 [0,2,0,0,0,0|0,1,0]=3 5107 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 62a_100000740217_200000210301 [0,2,0,0,0,0|0,1,0]=3 5108 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 62a_200000210301_100000740217 [0,2,0,0,0,0|0,1,0]=3 5109 B13R1.452 CSc1ccc(cc1)C(=O)CCF 1458a_100000189692_100011217306 [0,2,0,0,0,0|0,1,0]=3 5110 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|0,1,0]=3 5111 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_100011216809_200025704644 [0,2,0,0,0,0|0,1,0]=3 5112 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100011216809 [0,2,0,0,0,0|0,1,0]=3 5113 B13R1.452 N#CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100011214920 [0,2,0,0,0,0|2,0,0]=4 5114 B13R1.452 N#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011214920 [0,2,0,0,0,0|2,0,0]=4 5115 B13R1.452 N#Cc1ccc(cc1)C(=O)CCF 1458a_100000210717_100011217306 [0,2,0,0,0,0|2,0,0]=4 5116 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,2,0,0,0,0|2,0,0]=4 5117 B13R1.452 O=C(CCF)c1ccc(cc1)CO 1458a_100000183892_100011217306 [0,2,0,0,0,0|2,0,0]=4 5118 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|2,0,0]=4 5119 B13R1.452 [13CH3]OCC(=O)c1ccc(cc1)C#N 34a_100011592799_200025704644 [0,2,0,0,0,0|2,0,0]=4 5120 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,2,0,0,0,0|0,0,0]=2 5121 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,2,0,0,0,0|0,0,0]=2 5122 B13R1.452 [13CH3]SCC(=O)c1ccc(cc1)C#N 62a_100000212069_200025704644 [0,2,0,0,0,0|2,0,0]=4 5123 B13R1.452 [13CH3]SCC(=O)c1ccc(cc1)C#N 62a_200025704644_100000212069 [0,2,0,0,0,0|2,0,0]=4 5124 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200025704644 [0,2,0,0,0,0|1,1,0]=4 5125 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200025704644_200020603514 [0,2,0,0,0,0|1,1,0]=4 5126 B13R1.452 [13CH3]Sc1ccc(cc1)C(=O)CC#N 62a_100000740217_200025704644 [0,2,0,0,0,0|0,1,0]=3 5127 B13R1.452 [13CH3]Sc1ccc(cc1)C(=O)CC#N 62a_200025704644_100000740217 [0,2,0,0,0,0|0,1,0]=3 5128 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C#N 271570a_100000694244_100009994572 [0,2,0,0,0,0|1,0,1]=4 5129 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C=O 271570a_100000694244_100000725942 [0,2,0,0,0,0|1,0,1]=4 5130 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 1458a_200009908186_100000210202 [0,2,0,0,0,0|1,0,0]=3 5131 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 271570a_100000694244_100000211647 [0,2,0,0,0,0|1,0,0]=3 5132 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CF 1458a_200009908186_100015361967 [0,2,0,0,0,0|1,0,0]=3 5133 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CN 271570a_100000694244_100000017248 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,2,0,0,0,0|1,0,0]=3 5135 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 11a_106832991635_200009908186 [0,2,0,0,0,0|1,0,0]=3 5136 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 1626a_100102657272_200009908186 [0,2,0,0,0,0|1,0,0]=3 5137 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 240690a_100102657272_200009908186 [0,2,0,0,0,0|1,0,0]=3 5138 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 271570a_100000694244_100000155074 [0,2,0,0,0,0|1,0,0]=3 5139 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 527a_100102657272_200009908186 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NN 271570a_100000694244_100000183614 [0,2,0,0,0,0|2,0,0]=4 5141 B13R1.537 C=C(C)c1ccc(cc1)C(=O)OC 271570a_100000694244_100000150774 [0,2,0,0,0,0|1,0,0]=3 5142 B13R1.537 C=C(C)c1ccc(cc1)C(C)C#N 271570a_100000694244_100000695319 [0,2,0,0,0,0|2,0,0]=4 5143 B13R1.537 C=C(C)c1ccc(cc1)C(C)CC 271570a_100000694244_100011221364 [0,2,0,0,0,0|2,0,0]=4 5144 B13R1.537 C=C(C)c1ccc(cc1)C(C)NC 271570a_100000694244_100000231103 [0,2,0,0,0,0|2,0,0]=4 5145 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,2,0,0,0,0|1,0,0]=3 5146 B13R1.537 C=C(C)c1ccc(cc1)C(N)CO 271570a_100000694244_100000734186 [0,2,0,0,0,0|2,0,0]=4 5147 B13R1.537 C=C(C)c1ccc(cc1)C(O)CC 271570a_100000694244_100000246506 [0,2,0,0,0,0|2,0,0]=4 5148 B13R1.537 C=C(C)c1ccc(cc1)C(O)CN 271570a_100000694244_100020626992 [0,2,0,0,0,0|2,0,0]=4 5149 B13R1.537 C=C(C)c1ccc(cc1)C(O)CO 271570a_100000694244_200012355997 [0,2,0,0,0,0|2,0,0]=4 5150 B13R1.537 C=C(C)c1ccc(cc1)[C@@H](N)CC 271570a_100000694244_100025736560 [0,2,0,0,0,0|2,0,0]=4 5151 B13R1.537 C=C(C)c1ccc(cn1)C(=O)NC 271570a_100000694244_100000159860 [0,2,0,0,0,0|2,0,0]=4 5152 B13R1.537 C=C(C)c1ccc(cn1)C(=O)OC 271570a_100000694244_100000733799 [0,2,0,0,0,0|2,0,0]=4 5153 B13R1.537 C=C(C)c1ccc(nc1)C(=O)CC 271570a_100000694244_100012351654 [0,2,0,0,0,0|2,0,0]=4 5154 B13R1.537 C=C(C)c1ccc(nc1)C(=O)NC 271570a_100000694244_100011781262 [0,2,0,0,0,0|2,0,0]=4 5155 B13R1.537 C=C(C)c1ccc(nc1)C(=O)OC 271570a_100000694244_100000690920 [0,2,0,0,0,0|2,0,0]=4 5156 B13R1.537 CC(C)c1ccc(cc1)C(=O)CF 1458a_100000210772_100015361967 [0,2,0,0,0,0|1,0,0]=3 5157 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,2,0,0,0,0|1,0,0]=3 5158 B13R1.537 CC(O[13CH3])c1ccc(cc1)C(=O)N 7a_200010363529_200025704644 [0,2,0,0,0,0|1,0,0]=3 5159 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200025704644 [0,2,0,0,0,0|2,0,0]=4 5160 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200025704644 [0,2,0,0,0,0|2,0,0]=4 5161 B13R1.537 CCC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210202 [0,2,0,0,0,0|2,0,0]=4 5162 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,2,0,0,0,0|1,0,0]=3 5163 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,2,0,0,0,0|1,0,0]=3 5164 B13R1.537 CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000210202 [0,2,0,0,0,0|2,0,0]=4 5165 B13R1.537 CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210202 [0,2,0,0,0,0|1,0,0]=3 5166 B13R1.537 CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210202 [0,2,0,0,0,0|0,1,0]=3 5167 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210202 [0,2,0,0,0,0|2,0,0]=4 5168 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 269956a_100011218868_200000210301 [0,2,0,0,0,0|2,0,0]=4 5169 B13R1.537 CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100011218868_200025704644 [0,2,0,0,0,0|2,0,0]=4 5170 B13R1.537 CN(C)c1ccc(cc1)C(=O)CF 1458a_100000210873_100015361967 [0,2,0,0,0,0|1,0,0]=3 5171 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN 27a_100102631434_100000183614 [0,2,0,0,0,0|2,0,0]=4 5172 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)C 1458a_100011298788_200000210301 [0,2,0,0,0,0|1,0,0]=3 5173 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 11a_106832991635_100000230133 [0,2,0,0,0,0|2,0,0]=4 5174 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 1626a_100102657272_100000230133 [0,2,0,0,0,0|2,0,0]=4 5175 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 240690a_100102657272_100000230133 [0,2,0,0,0,0|2,0,0]=4 5176 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100011298788_200025704644 [0,2,0,0,0,0|1,0,0]=3 5177 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 11a_106832991635_100000210772 [0,2,0,0,0,0|1,0,0]=3 5178 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 1626a_100102657272_100000210772 [0,2,0,0,0,0|1,0,0]=3 5179 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 240690a_100102657272_100000210772 [0,2,0,0,0,0|1,0,0]=3 5180 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 527a_100102657272_100000210772 [0,2,0,0,0,0|1,0,0]=3 5181 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,2,0,0,0,0|1,0,0]=3 5182 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 11a_106832991635_100011735500 [0,2,0,0,0,0|2,0,0]=4 5183 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 1626a_100102657272_100011735500 [0,2,0,0,0,0|2,0,0]=4 5184 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 240690a_100102657272_100011735500 [0,2,0,0,0,0|2,0,0]=4 5185 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 527a_100102657272_100011735500 [0,2,0,0,0,0|2,0,0]=4 5186 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 11a_106832991635_100000210873 [0,2,0,0,0,0|1,0,0]=3 5187 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 1626a_100102657272_100000210873 [0,2,0,0,0,0|1,0,0]=3 5188 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 240690a_100102657272_100000210873 [0,2,0,0,0,0|1,0,0]=3 5189 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000155074 [0,2,0,0,0,0|1,0,0]=3 5190 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 527a_100102657272_100000210873 [0,2,0,0,0,0|1,0,0]=3 5191 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 1626a_100102657272_200000217594 [0,2,0,0,0,0|0,1,0]=3 5192 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 240690a_100102657272_200000217594 [0,2,0,0,0,0|0,1,0]=3 5193 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 527a_100102657272_200000217594 [0,2,0,0,0,0|0,1,0]=3 5194 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_106832991635_100000185811 [0,2,0,0,0,0|2,0,0]=4 5195 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 1626a_100102657272_100000185811 [0,2,0,0,0,0|2,0,0]=4 5196 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100102657272_100000185811 [0,2,0,0,0,0|2,0,0]=4 5197 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100102657272_100000185811 [0,2,0,0,0,0|2,0,0]=4 5198 B13R1.537 CNC(=O)c1ccc(cn1)N(C)C 27a_100102631434_100011781262 [0,2,0,0,0,0|2,0,0]=4 5199 B13R1.537 CNC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000159860 [0,2,0,0,0,0|2,0,0]=4 5200 B13R1.537 CN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_200000210301 [0,2,0,0,0,0|2,0,0]=4 5201 B13R1.537 COC(=O)c1ccc(cc1)C(=O)C 1458a_100000211811_200000210301 [0,2,0,0,0,0|0,0,0]=2 5202 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000211811_200025704644 [0,2,0,0,0,0|0,0,0]=2 5203 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,2,0,0,0,0|1,0,0]=3 5204 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,2,0,0,0,0|1,0,0]=3 5205 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,2,0,0,0,0|1,0,0]=3 5206 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,2,0,0,0,0|1,0,0]=3 5207 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,2,0,0,0,0|1,0,0]=3 5208 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,2,0,0,0,0|1,0,0]=3 5209 B13R1.537 COC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000733799 [0,2,0,0,0,0|2,0,0]=4 5210 B13R1.537 COC(C)c1ccc(cc1)C(=O)N 7a_200010363529_200000210301 [0,2,0,0,0,0|1,0,0]=3 5211 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200000210301 [0,2,0,0,0,0|2,0,0]=4 5212 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200000210301 [0,2,0,0,0,0|2,0,0]=4 5213 B13R1.537 CS(=O)c1ccc(cc1)C(=O)CF 1458a_200000217594_100015361967 [0,2,0,0,0,0|0,1,0]=3 5214 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)C(=O)O 269956a_100020638929_200025704644 [0,2,0,0,0,0|2,0,0]=4 5215 B13R1.537 NC(=O)c1ccc(cc1)C(=O)CF 1458a_100000230133_100015361967 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.537 O=C(CF)c1ccc(cc1)C(F)F 1458a_100011735500_100015361967 [0,2,0,0,0,0|2,0,0]=4 5217 B13R1.537 O=C(CF)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100015361967 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.3088 C#Cc1ccc(cc1C)C(=O)CC 1458a_100013243528_100000210202 [0,2,0,0,0,0|1,0,1]=4 5219 B13R1.3088 C#Cc1ccc(cc1C)C(=O)CF 1458a_100013243528_100015361967 [0,2,0,0,0,0|1,0,1]=4 5220 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 11a_106832991635_100013243528 [0,2,0,0,0,0|1,0,1]=4 5221 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 1626a_100102657272_100013243528 [0,2,0,0,0,0|1,0,1]=4 5222 B13R1.3088 C#Cc1ccc(cc1C)C(=O)NC 527a_100102657272_100013243528 [0,2,0,0,0,0|1,0,1]=4 5223 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)CC 1458a_100014797261_100000210202 [0,2,0,0,0,0|1,0,1]=4 5224 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)CF 1458a_100014797261_100015361967 [0,2,0,0,0,0|1,0,1]=4 5225 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 11a_106832991635_100014797261 [0,2,0,0,0,0|1,0,1]=4 5226 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 1626a_100102657272_100014797261 [0,2,0,0,0,0|1,0,1]=4 5227 B13R1.3088 C#Cc1ccc(cc1Cl)C(=O)NC 527a_100102657272_100014797261 [0,2,0,0,0,0|1,0,1]=4 5228 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,2,0,0,0,0|1,0,1]=4 5229 B13R1.3088 C=Cc1ccc(cc1C)C(=O)CC 271570a_100011290941_200012349626 [0,2,0,0,0,0|1,0,1]=4 5230 B13R1.3088 C=Cc1ccc(cc1C)C(=O)NC 271570a_100011290941_200013065384 [0,2,0,0,0,0|1,0,1]=4 5231 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,2,0,0,0,0|1,0,1]=4 5232 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,2,0,0,0,0|1,0,1]=4 5233 B13R1.3088 C=Cc1ccc(cc1F)C(=O)CN 271570a_100011290941_100016989600 [0,2,0,0,0,0|1,0,1]=4 5234 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,2,0,0,0,0|1,0,1]=4 5235 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,2,0,0,0,0|1,0,1]=4 5236 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,2,0,0,0,0|1,0,1]=4 5237 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_100000210202 [0,2,0,0,0,0|2,0,0]=4 5238 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [0,2,0,0,0,0|1,0,0]=3 5239 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [0,2,0,0,0,0|0,0,0]=2 5240 B13R1.3088 CCC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_100000210202 [0,2,0,0,0,0|2,0,0]=4 5241 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [0,2,0,0,0,0|0,0,0]=2 5242 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [0,2,0,0,0,0|0,1,0]=3 5243 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [0,2,0,0,0,0|0,1,0]=3 5244 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [0,2,0,0,0,0|0,1,0]=3 5245 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [0,2,0,0,0,0|0,1,0]=3 5246 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_100000210202 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [0,2,0,0,0,0|0,0,0]=2 5248 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [0,2,0,0,0,0|0,0,0]=2 5249 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [0,2,0,0,0,0|0,0,0]=2 5250 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [0,2,0,0,0,0|0,0,0]=2 5251 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [0,2,0,0,0,0|0,0,0]=2 5252 B13R1.3088 CCC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_100000210202 [0,2,0,0,0,0|2,0,0]=4 5253 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,2,0,0,0,0|2,0,0]=4 5254 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [0,2,0,0,0,0|0,0,0]=2 5255 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [0,2,0,0,0,0|0,0,0]=2 5256 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,2,0,0,0,0|1,0,0]=3 5257 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,2,0,0,0,0|0,0,0]=2 5258 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 269982a_114948341033_100000204670 [0,2,0,0,0,0|2,0,0]=4 5259 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 34a_114948341033_100000210202 [0,2,0,0,0,0|2,0,0]=4 5260 B13R1.3088 CCN(C)c1ccc(c(c1)I)OC 38a_114948341033_100000204670 [0,2,0,0,0,0|2,0,0]=4 5261 B13R1.3088 CCc1ccc(cc1Br)C(=O)CF 1458a_100012340589_100015361967 [0,2,0,0,0,0|1,0,0]=3 5262 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 11a_106832991635_100012340589 [0,2,0,0,0,0|1,0,0]=3 5263 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100012340589 [0,2,0,0,0,0|1,0,0]=3 5264 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100012340589 [0,2,0,0,0,0|1,0,0]=3 5265 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 527a_100102657272_100012340589 [0,2,0,0,0,0|1,0,0]=3 5266 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [0,2,0,0,0,0|1,0,0]=3 5267 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [0,2,0,0,0,0|1,0,0]=3 5268 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [0,2,0,0,0,0|1,0,0]=3 5269 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,2,0,0,0,0|1,0,0]=3 5270 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 11a_106832991635_100012355661 [0,2,0,0,0,0|2,0,0]=4 5271 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 1626a_100102657272_100012355661 [0,2,0,0,0,0|2,0,0]=4 5272 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 240690a_100102657272_100012355661 [0,2,0,0,0,0|2,0,0]=4 5273 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)C#N 527a_100102657272_100012355661 [0,2,0,0,0,0|2,0,0]=4 5274 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [0,2,0,0,0,0|0,0,0]=2 5275 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [0,2,0,0,0,0|0,0,0]=2 5276 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [0,2,0,0,0,0|0,0,0]=2 5277 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [0,2,0,0,0,0|0,0,0]=2 5278 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 11a_106832991635_100012180287 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 1626a_100102657272_100012180287 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 240690a_100102657272_100012180287 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.3088 CNC(=O)c1ccc(c(c1)C)C#N 527a_100102657272_100012180287 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 2230a_100000739472_200000210301 [0,2,0,0,0,0|1,0,0]=3 5283 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200013065384 [0,2,0,0,0,0|1,0,0]=3 5284 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 34a_100000739472_200000210301 [0,2,0,0,0,0|1,0,0]=3 5285 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 7a_100000739472_200000210301 [0,2,0,0,0,0|1,0,0]=3 5286 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000739472_200025704644 [0,2,0,0,0,0|1,0,0]=3 5287 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000739472_200025704644 [0,2,0,0,0,0|1,0,0]=3 5288 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000739472_200025704644 [0,2,0,0,0,0|1,0,0]=3 5289 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [0,2,0,0,0,0|0,0,0]=2 5290 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [0,2,0,0,0,0|0,0,0]=2 5291 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [0,2,0,0,0,0|0,0,0]=2 5292 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [0,2,0,0,0,0|0,0,0]=2 5293 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200013065384 [0,2,0,0,0,0|0,1,0]=3 5294 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200013065384_200000210301 [0,2,0,0,0,0|0,1,0]=3 5295 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200013065384_200025704644 [0,2,0,0,0,0|0,1,0]=3 5296 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200013065384 [0,2,0,0,0,0|0,1,0]=3 5297 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 11a_106832991635_100000694585 [0,2,0,0,0,0|2,0,0]=4 5298 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 1626a_100102657272_100000694585 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)C#N 527a_100102657272_100000694585 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [0,2,0,0,0,0|0,0,0]=2 5301 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [0,2,0,0,0,0|0,0,0]=2 5302 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [0,2,0,0,0,0|0,0,0]=2 5303 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [0,2,0,0,0,0|0,0,0]=2 5304 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 11a_106832991635_100011217213 [0,2,0,0,0,0|2,0,0]=4 5305 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 1626a_100102657272_100011217213 [0,2,0,0,0,0|2,0,0]=4 5306 B13R1.3088 CNC(=O)c1ccc(c(c1)F)C#N 527a_100102657272_100011217213 [0,2,0,0,0,0|2,0,0]=4 5307 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 5309 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [0,2,0,0,0,0|0,0,0]=2 5310 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [0,2,0,0,0,0|0,0,0]=2 5311 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [0,2,0,0,0,0|0,0,0]=2 5312 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [0,2,0,0,0,0|0,0,0]=2 5313 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [0,2,0,0,0,0|0,0,0]=2 5314 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [0,2,0,0,0,0|0,0,0]=2 5315 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [0,2,0,0,0,0|0,0,0]=2 5316 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [0,2,0,0,0,0|0,0,0]=2 5317 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,2,0,0,0,0|0,0,0]=2 5318 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,2,0,0,0,0|0,0,0]=2 5319 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [0,2,0,0,0,0|1,0,1]=4 5320 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [0,2,0,0,0,0|1,0,1]=4 5321 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [0,2,0,0,0,0|1,0,1]=4 5322 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [0,2,0,0,0,0|1,0,1]=4 5323 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [0,2,0,0,0,0|1,0,1]=4 5324 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [0,2,0,0,0,0|1,0,1]=4 5325 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [0,2,0,0,0,0|1,0,1]=4 5326 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [0,2,0,0,0,0|1,0,1]=4 5327 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [0,2,0,0,0,0|1,0,1]=4 5328 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,2,0,0,0,0|1,0,1]=4 5329 B13R1.3088 CNc1ccc(cc1C)C(=O)NN 27a_100102657272_100012339724 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.3088 CNc1ccc(nc1F)C(=O)OC 27a_100102657272_100010189630 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.3088 CNc1ncc(cc1Br)C(=O)OC 27a_100102657272_100010114297 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.3088 CNc1ncc(cc1C)C(=O)OC 27a_100102657272_100009862495 [0,2,0,0,0,0|2,0,0]=4 5333 B13R1.3088 CNc1ncc(cc1F)C(=O)OC 27a_100102657272_100009877320 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.3088 CNc1ncc(cc1N)C(=O)OC 27a_100102657272_100000079130 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [0,2,0,0,0,0|1,0,0]=3 5336 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_100010080863_200000210301 [0,2,0,0,0,0|1,1,0]=4 5337 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_200000210301_100010080863 [0,2,0,0,0,0|1,1,0]=4 5338 B13R1.3088 COC(=O)c1cc(c(cn1)SC)N 62a_100016001589_200000210301 [0,2,0,0,0,0|1,1,0]=4 5339 B13R1.3088 COC(=O)c1cc(c(cn1)SC)N 62a_200000210301_100016001589 [0,2,0,0,0,0|1,1,0]=4 5340 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_100010080863_200025704644 [0,2,0,0,0,0|1,1,0]=4 5341 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100010080863 [0,2,0,0,0,0|1,1,0]=4 5342 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])N 62a_100016001589_200025704644 [0,2,0,0,0,0|1,1,0]=4 5343 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])N 62a_200025704644_100016001589 [0,2,0,0,0,0|1,1,0]=4 5344 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,2,0,0,0,0|0,0,0]=2 5345 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,2,0,0,0,0|0,0,0]=2 5346 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,2,0,0,0,0|0,0,0]=2 5347 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,2,0,0,0,0|0,0,0]=2 5348 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,2,0,0,0,0|0,1,0]=3 5349 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,2,0,0,0,0|0,1,0]=3 5350 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,2,0,0,0,0|0,1,0]=3 5351 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,2,0,0,0,0|0,1,0]=3 5352 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,2,0,0,0,0|0,0,0]=2 5353 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,2,0,0,0,0|0,0,0]=2 5354 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,2,0,0,0,0|0,0,0]=2 5355 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,2,0,0,0,0|0,0,0]=2 5356 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,2,0,0,0,0|0,1,0]=3 5357 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,2,0,0,0,0|0,1,0]=3 5358 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,2,0,0,0,0|0,1,0]=3 5359 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,2,0,0,0,0|0,1,0]=3 5360 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,2,0,0,0,0|0,0,0]=2 5361 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,2,0,0,0,0|0,0,0]=2 5362 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,2,0,0,0,0|0,0,0]=2 5363 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,2,0,0,0,0|0,0,0]=2 5364 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,2,0,0,0,0|0,1,0]=3 5365 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,2,0,0,0,0|0,1,0]=3 5366 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,2,0,0,0,0|0,1,0]=3 5367 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,2,0,0,0,0|0,1,0]=3 5368 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,2,0,0,0,0|0,0,0]=2 5369 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,2,0,0,0,0|0,0,0]=2 5370 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,2,0,0,0,0|0,0,0]=2 5371 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,2,0,0,0,0|0,0,0]=2 5372 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,2,0,0,0,0|0,1,0]=3 5373 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,2,0,0,0,0|0,1,0]=3 5374 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,2,0,0,0,0|0,1,0]=3 5375 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,2,0,0,0,0|0,1,0]=3 5376 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,2,0,0,0,0|0,0,0]=2 5377 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,2,0,0,0,0|0,0,0]=2 5378 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,2,0,0,0,0|0,0,0]=2 5379 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,2,0,0,0,0|0,0,0]=2 5380 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,2,0,0,0,0|0,0,0]=2 5381 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,2,0,0,0,0|0,0,0]=2 5382 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,2,0,0,0,0|0,0,0]=2 5383 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,2,0,0,0,0|0,0,0]=2 5384 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,2,0,0,0,0|0,1,0]=3 5385 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,2,0,0,0,0|0,1,0]=3 5386 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,2,0,0,0,0|0,1,0]=3 5387 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,2,0,0,0,0|0,1,0]=3 5388 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,2,0,0,0,0|2,0,0]=4 5389 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,2,0,0,0,0|2,0,0]=4 5390 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|2,0,0]=4 5391 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|0,0,0]=2 5392 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,2,0,0,0,0|0,1,0]=3 5393 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,2,0,0,0,0|0,1,0]=3 5394 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,2,0,0,0,0|0,1,0]=3 5395 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,2,0,0,0,0|0,1,0]=3 5396 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 34a_200009815348_200000210301 [0,2,0,0,0,0|1,0,0]=3 5397 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 7a_200009815348_200000210301 [0,2,0,0,0,0|1,0,0]=3 5398 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 34a_200009815348_200025704644 [0,2,0,0,0,0|1,0,0]=3 5399 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 7a_200009815348_200025704644 [0,2,0,0,0,0|1,0,0]=3 5400 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_100010207261_200000210301 [0,2,0,0,0,0|1,1,0]=4 5401 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_200000210301_100010207261 [0,2,0,0,0,0|1,1,0]=4 5402 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_100010207261_200025704644 [0,2,0,0,0,0|1,1,0]=4 5403 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_200025704644_100010207261 [0,2,0,0,0,0|1,1,0]=4 5404 B13R1.3088 COC(=O)c1ccc(c(n1)F)SC 62a_100010189630_200000210301 [0,2,0,0,0,0|1,1,0]=4 5405 B13R1.3088 COC(=O)c1ccc(c(n1)F)SC 62a_200000210301_100010189630 [0,2,0,0,0,0|1,1,0]=4 5406 B13R1.3088 COC(=O)c1ccc(c(n1)F)S[13CH3] 62a_100010189630_200025704644 [0,2,0,0,0,0|1,1,0]=4 5407 B13R1.3088 COC(=O)c1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010189630 [0,2,0,0,0,0|1,1,0]=4 5408 B13R1.3088 COC(=O)c1ccc(c(n1)N)SC 62a_100010187631_200000210301 [0,2,0,0,0,0|1,1,0]=4 5409 B13R1.3088 COC(=O)c1ccc(c(n1)N)S[13CH3] 62a_100010187631_200025704644 [0,2,0,0,0,0|1,1,0]=4 5410 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [0,2,0,0,0,0|1,0,0]=3 5411 B13R1.3088 COC(=O)c1ccc(c(n1)O)SC 62a_200000210301_100010189637 [0,2,0,0,0,0|1,1,0]=4 5412 B13R1.3088 COC(=O)c1ccc(c(n1)O)S[13CH3] 62a_200025704644_100010189637 [0,2,0,0,0,0|1,1,0]=4 5413 B13R1.3088 COC(=O)c1cnc(c(c1)Br)OC 34a_100015192546_200000210301 [0,2,0,0,0,0|1,0,0]=3 5414 B13R1.3088 COC(=O)c1cnc(c(c1)Br)O[13CH3] 34a_100015192546_200025704644 [0,2,0,0,0,0|1,0,0]=3 5415 B13R1.3088 COC(=O)c1cnc(c(c1)Br)SC 62a_100010114297_200000210301 [0,2,0,0,0,0|1,1,0]=4 5416 B13R1.3088 COC(=O)c1cnc(c(c1)Br)SC 62a_200000210301_100010114297 [0,2,0,0,0,0|1,1,0]=4 5417 B13R1.3088 COC(=O)c1cnc(c(c1)Br)S[13CH3] 62a_100010114297_200025704644 [0,2,0,0,0,0|1,1,0]=4 5418 B13R1.3088 COC(=O)c1cnc(c(c1)Br)S[13CH3] 62a_200025704644_100010114297 [0,2,0,0,0,0|1,1,0]=4 5419 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200000210301_100009862495 [0,2,0,0,0,0|1,1,0]=4 5420 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200010136688_200000210301 [0,2,0,0,0,0|1,1,0]=4 5421 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200010136688_200025704644 [0,2,0,0,0,0|1,1,0]=4 5422 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009862495 [0,2,0,0,0,0|1,1,0]=4 5423 B13R1.3088 COC(=O)c1cnc(c(c1)F)SC 62a_100010189625_200000210301 [0,2,0,0,0,0|1,1,0]=4 5424 B13R1.3088 COC(=O)c1cnc(c(c1)F)SC 62a_200000210301_100010189625 [0,2,0,0,0,0|1,1,0]=4 5425 B13R1.3088 COC(=O)c1cnc(c(c1)F)S[13CH3] 62a_100010189625_200025704644 [0,2,0,0,0,0|1,1,0]=4 5426 B13R1.3088 COC(=O)c1cnc(c(c1)F)S[13CH3] 62a_200025704644_100010189625 [0,2,0,0,0,0|1,1,0]=4 5427 B13R1.3088 COC(=O)c1cnc(c(c1)N)SC 62a_200000210301_100000079130 [0,2,0,0,0,0|1,1,0]=4 5428 B13R1.3088 COC(=O)c1cnc(c(c1)N)S[13CH3] 62a_200025704644_100000079130 [0,2,0,0,0,0|1,1,0]=4 5429 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [0,2,0,0,0,0|1,0,0]=3 5430 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_100010999399_200000210301 [0,2,0,0,0,0|1,1,0]=4 5431 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010999399 [0,2,0,0,0,0|1,1,0]=4 5432 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_100010999399_200025704644 [0,2,0,0,0,0|1,1,0]=4 5433 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010999399 [0,2,0,0,0,0|1,1,0]=4 5434 B13R1.3088 COc1ccc(cc1Br)C(=O)CF 1458a_100000187947_100015361967 [0,2,0,0,0,0|0,0,0]=2 5435 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,2,0,0,0,0|0,0,2]=4 5436 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,2,0,0,0,0|0,0,2]=4 5437 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,2,0,0,0,0|0,0,2]=4 5438 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,2,0,0,0,0|0,0,2]=4 5439 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [0,2,0,0,0,0|0,0,0]=2 5440 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [0,2,0,0,0,0|1,0,1]=4 5441 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [0,2,0,0,0,0|1,0,1]=4 5442 B13R1.3088 COc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200000210301 [0,2,0,0,0,0|0,0,0]=2 5443 B13R1.3088 COc1ccc(cc1Cl)C(=O)CF 1458a_100000188346_100015361967 [0,2,0,0,0,0|0,0,0]=2 5444 B13R1.3088 COc1ccc(cc1F)C(=O)CF 1458a_100000186160_100015361967 [0,2,0,0,0,0|0,0,0]=2 5445 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [0,2,0,0,0,0|1,0,1]=4 5446 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [0,2,0,0,0,0|1,0,1]=4 5447 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,2,0,0,0,0|0,0,2]=4 5448 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,2,0,0,0,0|0,0,2]=4 5449 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,2,0,0,0,0|0,0,2]=4 5450 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,2,0,0,0,0|0,0,2]=4 5451 B13R1.3088 COc1ccc(cc1I)C(=O)CF 1458a_100000188716_100015361967 [0,2,0,0,0,0|0,0,0]=2 5452 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,2,0,0,0,0|0,0,2]=4 5453 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,2,0,0,0,0|0,0,2]=4 5454 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,2,0,0,0,0|0,0,2]=4 5455 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,2,0,0,0,0|0,0,2]=4 5456 B13R1.3088 COc1ccc(cc1I)N(C)CF 269982a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 5457 B13R1.3088 COc1ccc(cc1I)N(C)CF 34a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 5458 B13R1.3088 COc1ccc(cc1I)N(C)CF 38a_114948341033_100015361967 [0,2,0,0,0,0|2,0,0]=4 5459 B13R1.3088 COc1ccc(cc1N)C(=O)NN 34a_200000039609_200000210301 [0,2,0,0,0,0|1,0,0]=3 5460 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,2,0,0,0,0|0,0,0]=2 5461 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [0,2,0,0,0,0|1,0,0]=3 5462 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_100012339724_200000210301 [0,2,0,0,0,0|1,1,0]=4 5463 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_200000210301_100012339724 [0,2,0,0,0,0|1,1,0]=4 5464 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_100016989600_200000210301 [0,2,0,0,0,0|0,1,0]=3 5465 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_200000210301_100016989600 [0,2,0,0,0,0|0,1,0]=3 5466 B13R1.3088 Cc1cc(ccc1C#N)C(=O)CF 1458a_100012180287_100015361967 [0,2,0,0,0,0|2,0,0]=4 5467 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_100012339724_200025704644 [0,2,0,0,0,0|1,1,0]=4 5468 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_200025704644_100012339724 [0,2,0,0,0,0|1,1,0]=4 5469 B13R1.3088 N#Cc1ccc(cc1Br)C(=O)CF 1458a_100012355661_100015361967 [0,2,0,0,0,0|2,0,0]=4 5470 B13R1.3088 N#Cc1ccc(cc1Cl)C(=O)CF 1458a_100000694585_100015361967 [0,2,0,0,0,0|2,0,0]=4 5471 B13R1.3088 N#Cc1ccc(cc1F)C(=O)CF 1458a_100011217213_100015361967 [0,2,0,0,0,0|2,0,0]=4 5472 B13R1.3088 O=C(CF)c1ccc(c(c1)F)CO 1458a_100000687192_100015361967 [0,2,0,0,0,0|2,0,0]=4 5473 B13R1.3088 [13CH3]Oc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200025704644 [0,2,0,0,0,0|0,0,0]=2 5474 B13R1.3088 [13CH3]Oc1ccc(cc1N)C(=O)NN 34a_200000039609_200025704644 [0,2,0,0,0,0|1,0,0]=3 5475 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_100016989600_200025704644 [0,2,0,0,0,0|0,1,0]=3 5476 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_200025704644_100016989600 [0,2,0,0,0,0|0,1,0]=3 5477 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)O[13CH3] 34a_100011934291_200025704644 [0,2,0,0,0,0|1,0,1]=4 5478 B13R1.38 CC(C)(C)c1ccc(c(c1)Br)O[13CH3] 7a_100011934291_200025704644 [0,2,0,0,0,0|1,0,1]=4 5479 B13R1.38 CC(C)(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100011290890_200025704644 [0,2,0,0,0,0|1,0,1]=4 5480 B13R1.38 CC(C)(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100011290890_200025704644 [0,2,0,0,0,0|1,0,1]=4 5481 B13R1.38 CC(C)(C)c1ccc(c(c1)I)O[13CH3] 34a_100012359415_200025704644 [0,2,0,0,0,0|1,0,1]=4 5482 B13R1.38 CC(C)(C)c1ccc(c(c1)I)O[13CH3] 7a_100012359415_200025704644 [0,2,0,0,0,0|1,0,1]=4 5483 B13R1.38 CC(C)(C)c1ccc(c(c1)N)O[13CH3] 34a_100000187365_200025704644 [0,2,0,0,0,0|1,0,1]=4 5484 B13R1.38 CC(C)(C)c1ccc(c(c1)N)O[13CH3] 7a_100000187365_200025704644 [0,2,0,0,0,0|1,0,1]=4 5485 B13R1.38 CNc1ccc(cc1Br)S(=O)(=O)C 34a_100000743533_200000210301 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.38 CNc1ccc(cc1Br)S(=O)(=O)C 7a_100000743533_200000210301 [0,2,0,0,0,0|2,0,0]=4 5487 B13R1.38 CNc1ccc(cc1C)P(=O)(C)C 2230a_200150727776_200000210301 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.38 CNc1ccc(cc1C)P(=O)(C)C 34a_200150727776_200000210301 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.38 CNc1ccc(cc1C)P(=O)(C)C 7a_200150727776_200000210301 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.38 CNc1ccc(cc1C)S(=O)(=O)C 34a_100000755730_200000210301 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.38 CNc1ccc(cc1C)S(=O)(=O)C 7a_100000755730_200000210301 [0,2,0,0,0,0|2,0,0]=4 5492 B13R1.38 CNc1ccc(cc1Cl)S(=O)(=O)C 34a_200011216166_200000210301 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.38 CNc1ccc(cc1Cl)S(=O)(=O)C 7a_200011216166_200000210301 [0,2,0,0,0,0|2,0,0]=4 5494 B13R1.38 CNc1ccc(cc1F)P(=O)(C)C 34a_100000144218_200000210301 [0,2,0,0,0,0|2,0,0]=4 5495 B13R1.38 CNc1ccc(cc1F)S(=O)(=O)C 34a_100011219235_200000210301 [0,2,0,0,0,0|2,0,0]=4 5496 B13R1.38 CNc1ccc(cc1F)S(=O)(=O)C 7a_100011219235_200000210301 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.38 COc1ccc(cc1Br)C(C)(C)C 34a_100011934291_200000210301 [0,2,0,0,0,0|1,0,1]=4 5498 B13R1.38 COc1ccc(cc1Br)C(C)(C)C 7a_100011934291_200000210301 [0,2,0,0,0,0|1,0,1]=4 5499 B13R1.38 COc1ccc(cc1C)C(C)(C)C 7a_100000211565_200000210301 [0,2,0,0,0,0|1,0,1]=4 5500 B13R1.38 COc1ccc(cc1Cl)C(C)(C)C 34a_100011290890_200000210301 [0,2,0,0,0,0|1,0,1]=4 5501 B13R1.38 COc1ccc(cc1Cl)C(C)(C)C 7a_100011290890_200000210301 [0,2,0,0,0,0|1,0,1]=4 5502 B13R1.38 COc1ccc(cc1F)S(=O)(=O)C 34a_100000069939_200000210301 [0,2,0,0,0,0|1,0,0]=3 5503 B13R1.38 COc1ccc(cc1F)S(=O)(=O)C 7a_100000069939_200000210301 [0,2,0,0,0,0|1,0,0]=3 5504 B13R1.38 COc1ccc(cc1I)C(C)(C)C 34a_100012359415_200000210301 [0,2,0,0,0,0|1,0,1]=4 5505 B13R1.38 COc1ccc(cc1I)C(C)(C)C 7a_100012359415_200000210301 [0,2,0,0,0,0|1,0,1]=4 5506 B13R1.38 COc1ccc(cc1N)C(C)(C)C 34a_100000187365_200000210301 [0,2,0,0,0,0|1,0,1]=4 5507 B13R1.38 COc1ccc(cc1N)C(C)(C)C 7a_100000187365_200000210301 [0,2,0,0,0,0|1,0,1]=4 5508 B13R1.38 COc1ccc(cc1N)S(=O)(=O)C 34a_100000186253_200000210301 [0,2,0,0,0,0|1,0,0]=3 5509 B13R1.38 COc1ccc(cc1N)S(=O)(=O)C 7a_100000186253_200000210301 [0,2,0,0,0,0|1,0,0]=3 5510 B13R1.38 COc1ccc(cc1N)S(=O)(=O)N 34a_100000182321_200000210301 [0,2,0,0,0,0|2,0,0]=4 5511 B13R1.38 COc1ccc(cc1N)S(=O)(=O)N 7a_100000182321_200000210301 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.38 COc1ccc(cc1O)C(C)(C)C 271570a_203496583355_100010113405 [0,2,0,0,0,0|1,0,1]=4 5513 B13R1.38 CP(=O)(C)c1ccc(c(c1)F)N[13CH3] 34a_100000144218_200025704644 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.38 CS(=O)(=O)c1ccc(c(c1)Br)N[13CH3] 34a_100000743533_200025704644 [0,2,0,0,0,0|2,0,0]=4 5515 B13R1.38 CS(=O)(=O)c1ccc(c(c1)Br)N[13CH3] 7a_100000743533_200025704644 [0,2,0,0,0,0|2,0,0]=4 5516 B13R1.38 CS(=O)(=O)c1ccc(c(c1)Cl)N[13CH3] 34a_200011216166_200025704644 [0,2,0,0,0,0|2,0,0]=4 5517 B13R1.38 CS(=O)(=O)c1ccc(c(c1)Cl)N[13CH3] 7a_200011216166_200025704644 [0,2,0,0,0,0|2,0,0]=4 5518 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)N[13CH3] 34a_100011219235_200025704644 [0,2,0,0,0,0|2,0,0]=4 5519 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)N[13CH3] 7a_100011219235_200025704644 [0,2,0,0,0,0|2,0,0]=4 5520 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000069939_200025704644 [0,2,0,0,0,0|1,0,0]=3 5521 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000069939_200025704644 [0,2,0,0,0,0|1,0,0]=3 5522 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)S[13CH3] 62a_100010234714_200025704644 [0,2,0,0,0,0|1,1,0]=4 5523 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100010234714 [0,2,0,0,0,0|1,1,0]=4 5524 B13R1.38 CS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000186253_200025704644 [0,2,0,0,0,0|1,0,0]=3 5525 B13R1.38 CS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000186253_200025704644 [0,2,0,0,0,0|1,0,0]=3 5526 B13R1.38 CS(=O)(=O)c1ccc(c(c1)N)S[13CH3] 62a_200015322649_200025704644 [0,2,0,0,0,0|1,1,0]=4 5527 B13R1.38 CS(=O)(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_200015322649 [0,2,0,0,0,0|1,1,0]=4 5528 B13R1.38 CSc1ccc(cc1C)S(=O)(=O)C 62a_200000210301_200010713620 [0,2,0,0,0,0|1,1,0]=4 5529 B13R1.38 CSc1ccc(cc1C)S(=O)(=O)C 62a_200010713620_200000210301 [0,2,0,0,0,0|1,1,0]=4 5530 B13R1.38 CSc1ccc(cc1F)S(=O)(=O)C 62a_100010234714_200000210301 [0,2,0,0,0,0|1,1,0]=4 5531 B13R1.38 CSc1ccc(cc1F)S(=O)(=O)C 62a_200000210301_100010234714 [0,2,0,0,0,0|1,1,0]=4 5532 B13R1.38 CSc1ccc(cc1N)S(=O)(=O)C 62a_200000210301_200015322649 [0,2,0,0,0,0|1,1,0]=4 5533 B13R1.38 CSc1ccc(cc1N)S(=O)(=O)C 62a_200015322649_200000210301 [0,2,0,0,0,0|1,1,0]=4 5534 B13R1.38 Cc1cc(ccc1N[13CH3])P(=O)(C)C 2230a_200150727776_200025704644 [0,2,0,0,0,0|2,0,0]=4 5535 B13R1.38 Cc1cc(ccc1N[13CH3])P(=O)(C)C 34a_200150727776_200025704644 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.38 Cc1cc(ccc1N[13CH3])P(=O)(C)C 7a_200150727776_200025704644 [0,2,0,0,0,0|2,0,0]=4 5537 B13R1.38 Cc1cc(ccc1N[13CH3])S(=O)(=O)C 34a_100000755730_200025704644 [0,2,0,0,0,0|2,0,0]=4 5538 B13R1.38 Cc1cc(ccc1N[13CH3])S(=O)(=O)C 7a_100000755730_200025704644 [0,2,0,0,0,0|2,0,0]=4 5539 B13R1.38 Cc1cc(ccc1O[13CH3])C(C)(C)C 7a_100000211565_200025704644 [0,2,0,0,0,0|1,0,1]=4 5540 B13R1.38 Cc1cc(ccc1S[13CH3])S(=O)(=O)C 62a_200010713620_200025704644 [0,2,0,0,0,0|1,1,0]=4 5541 B13R1.38 Cc1cc(ccc1S[13CH3])S(=O)(=O)C 62a_200025704644_200010713620 [0,2,0,0,0,0|1,1,0]=4 5542 B13R1.38 [13CH3]Oc1ccc(cc1N)S(=O)(=O)N 34a_100000182321_200025704644 [0,2,0,0,0,0|2,0,0]=4 5543 B13R1.38 [13CH3]Oc1ccc(cc1N)S(=O)(=O)N 7a_100000182321_200025704644 [0,2,0,0,0,0|2,0,0]=4 5544 B13R1.96 CNc1ccc(c(c1)Cl)S(=O)(=O)C 34a_100000751451_200000210301 [0,2,0,0,0,0|2,0,0]=4 5545 B13R1.96 CNc1ccc(c(c1)Cl)S(=O)(=O)C 7a_100000751451_200000210301 [0,2,0,0,0,0|2,0,0]=4 5546 B13R1.96 CNc1ccc(c(c1)F)S(=O)(=O)C 27a_100102657272_100010245844 [0,2,0,0,0,0|2,0,0]=4 5547 B13R1.96 CNc1ccc(c(c1)F)S(=O)(=O)C 34a_100000760448_200000210301 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.96 CNc1ccc(c(c1)F)S(=O)(=O)C 7a_100000760448_200000210301 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.96 COc1ccc(c(c1)O)S(=O)(=O)C 271570a_203496583355_100021291132 [0,2,0,0,0,0|1,0,0]=3 5550 B13R1.96 CS(=O)(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000751451_200025704644 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.96 CS(=O)(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000751451_200025704644 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.96 CS(=O)(=O)c1ccc(cc1F)N[13CH3] 34a_100000760448_200025704644 [0,2,0,0,0,0|2,0,0]=4 5553 B13R1.96 CS(=O)(=O)c1ccc(cc1F)N[13CH3] 7a_100000760448_200025704644 [0,2,0,0,0,0|2,0,0]=4 5554 B13R1.96 CS(=O)(=O)c1ccc(cc1F)S[13CH3] 62a_100010245844_200025704644 [0,2,0,0,0,0|1,1,0]=4 5555 B13R1.96 CS(=O)(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100010245844 [0,2,0,0,0,0|1,1,0]=4 5556 B13R1.96 CSc1ccc(c(c1)C)S(=O)(=O)C 62a_100010713630_200000210301 [0,2,0,0,0,0|1,1,0]=4 5557 B13R1.96 CSc1ccc(c(c1)C)S(=O)(=O)C 62a_200000210301_100010713630 [0,2,0,0,0,0|1,1,0]=4 5558 B13R1.96 CSc1ccc(c(c1)F)S(=O)(=O)C 62a_100010245844_200000210301 [0,2,0,0,0,0|1,1,0]=4 5559 B13R1.96 CSc1ccc(c(c1)F)S(=O)(=O)C 62a_200000210301_100010245844 [0,2,0,0,0,0|1,1,0]=4 5560 B13R1.96 Cc1cc(ccc1S(=O)(=O)C)S[13CH3] 62a_100010713630_200025704644 [0,2,0,0,0,0|1,1,0]=4 5561 B13R1.96 Cc1cc(ccc1S(=O)(=O)C)S[13CH3] 62a_200025704644_100010713630 [0,2,0,0,0,0|1,1,0]=4 5562 B13R1.140 CC(C)(C)c1ccc(cc1)CO[13CH3] 34a_100000211988_200025704644 [0,2,0,0,0,0|1,0,1]=4 5563 B13R1.140 CC(C)(C)c1ccc(cc1)CO[13CH3] 7a_100000211988_200025704644 [0,2,0,0,0,0|1,0,1]=4 5564 B13R1.140 CC(C)(C)c1ccc(cc1)OCF 34a_100000185729_100015361967 [0,2,0,0,0,0|1,0,1]=4 5565 B13R1.140 CC(C)(C)c1ccc(cc1)OCF 7a_100000185729_100015361967 [0,2,0,0,0,0|1,0,1]=4 5566 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 34a_100000695648_100015361967 [0,2,0,0,0,0|0,0,2]=4 5567 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 7a_100000695648_100015361967 [0,2,0,0,0,0|0,0,2]=4 5568 B13R1.140 CC=Cc1ccc(cc1)S(=O)(=O)C 271570a_100016259895_100000765142 [0,2,0,0,0,0|2,0,0]=4 5569 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_100000210202 [0,2,0,0,0,0|2,0,0]=4 5570 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_100000210202 [0,2,0,0,0,0|2,0,0]=4 5571 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 34a_100000185729_100000210202 [0,2,0,0,0,0|1,0,1]=4 5572 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 7a_100000185729_100000210202 [0,2,0,0,0,0|1,0,1]=4 5573 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 34a_100000695648_100000210202 [0,2,0,0,0,0|0,0,2]=4 5574 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 7a_100000695648_100000210202 [0,2,0,0,0,0|0,0,2]=4 5575 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000210202 [0,2,0,0,0,0|1,0,0]=3 5576 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000210202 [0,2,0,0,0,0|1,0,0]=3 5577 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000210202 [0,2,0,0,0,0|2,0,0]=4 5578 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000210202 [0,2,0,0,0,0|2,0,0]=4 5579 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210202 [0,2,0,0,0,0|2,0,0]=4 5580 B13R1.140 CCSc1ccc(cc1)S(=O)(=O)C 62a_100000210202_100000765142 [0,2,0,0,0,0|1,1,0]=4 5581 B13R1.140 CCSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_100000210202 [0,2,0,0,0,0|1,1,0]=4 5582 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 207a_100102657272_100000743486 [0,2,0,0,0,0|2,0,0]=4 5583 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 2230a_106832991635_100000717844 [0,2,0,0,0,0|2,0,0]=4 5584 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 26a_100102657272_100000230201 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 270004a_106832991635_100000743486 [0,2,0,0,0,0|2,0,0]=4 5586 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 34a_100000745609_200000210301 [0,2,0,0,0,0|2,0,0]=4 5587 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 34a_100102657272_100000717844 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 7a_106832991635_100000717844 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.140 COCc1ccc(cc1)C(C)(C)C 34a_100000211988_200000210301 [0,2,0,0,0,0|1,0,1]=4 5590 B13R1.140 COCc1ccc(cc1)C(C)(C)C 34a_100138415774_100000212263 [0,2,0,0,0,0|1,0,1]=4 5591 B13R1.140 COCc1ccc(cc1)C(C)(C)C 7a_100000211988_200000210301 [0,2,0,0,0,0|1,0,1]=4 5592 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100000728255_200000210301 [0,2,0,0,0,0|1,0,0]=3 5593 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100138415774_100000717844 [0,2,0,0,0,0|1,0,0]=3 5594 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 7a_100000728255_200000210301 [0,2,0,0,0,0|1,0,0]=3 5595 B13R1.140 COCc1ccc(cc1)S(=O)(=O)N 34a_100138415774_200012292325 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.140 COCc1ccc(cc1)S(=O)(=O)N 34a_200000723721_200000210301 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.140 CS(=O)(=O)c1ccc(cc1)CN[13CH3] 34a_100000745609_200025704644 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 34a_100000728255_200025704644 [0,2,0,0,0,0|1,0,0]=3 5599 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 7a_100000728255_200025704644 [0,2,0,0,0,0|1,0,0]=3 5600 B13R1.140 CS(=O)(=O)c1ccc(cc1)CS[13CH3] 62a_100000717844_200025704644 [0,2,0,0,0,0|1,1,0]=4 5601 B13R1.140 CS(=O)(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000717844 [0,2,0,0,0,0|1,1,0]=4 5602 B13R1.140 CS(=O)(=O)c1ccc(cc1)NCF 34a_100000195502_100015361967 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.140 CS(=O)(=O)c1ccc(cc1)NCF 7a_100000195502_100015361967 [0,2,0,0,0,0|2,0,0]=4 5604 B13R1.140 CS(=O)(=O)c1ccc(cc1)OCF 34a_100000230201_100015361967 [0,2,0,0,0,0|1,0,0]=3 5605 B13R1.140 CS(=O)(=O)c1ccc(cc1)OCF 7a_100000230201_100015361967 [0,2,0,0,0,0|1,0,0]=3 5606 B13R1.140 CS(=O)(=O)c1ccc(cc1)SCF 62a_100000765142_100015361967 [0,2,0,0,0,0|1,1,0]=4 5607 B13R1.140 CS(=O)(=O)c1ccc(cc1)SCF 62a_100015361967_100000765142 [0,2,0,0,0,0|1,1,0]=4 5608 B13R1.140 CSCc1ccc(cc1)S(=O)(=O)C 62a_100000717844_200000210301 [0,2,0,0,0,0|1,1,0]=4 5609 B13R1.140 CSCc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000717844 [0,2,0,0,0,0|1,1,0]=4 5610 B13R1.140 NS(=O)(=O)c1ccc(cc1)OCF 34a_100000738502_100015361967 [0,2,0,0,0,0|2,0,0]=4 5611 B13R1.140 NS(=O)(=O)c1ccc(cc1)OCF 7a_100000738502_100015361967 [0,2,0,0,0,0|2,0,0]=4 5612 B13R1.140 O=S(=O)([O-])c1ccc(cc1)OCF 7a_100000698548_100015361967 [0,2,0,0,0,0|2,0,0]=4 5613 B13R1.140 [13CH3]OCc1ccc(cc1)S(=O)(=O)N 34a_200000723721_200025704644 [0,2,0,0,0,0|2,0,0]=4 5614 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)C 271570a_100000694244_100011215385 [0,2,0,0,0,0|2,0,0]=4 5615 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)N 271570a_100000694244_100000739617 [0,2,0,0,0,0|2,0,0]=4 5616 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)O 271570a_100000694244_100000753367 [0,2,0,0,0,0|2,0,0]=4 5617 B13R1.338 C=C(C)c1ccc(cc1)C(C)(F)F 271570a_100000694244_100009817129 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.338 C=C(C)c1ccc(cc1)S(=O)(=O)C 271570a_100000694244_100000765142 [0,2,0,0,0,0|1,1,0]=4 5619 B13R1.338 C=C(C)c1ccc(cc1)[Si](C)(C)C 271570a_100000694244_100009813420 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_200000210301 [0,2,0,0,0,0|1,0,0]=3 5621 B13R1.338 CC(=O)c1ccc(cc1)C(C)(F)F 1458a_100000734349_200000210301 [0,2,0,0,0,0|1,0,0]=3 5622 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_200000210301 [0,2,0,0,0,0|2,0,0]=4 5623 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)C 1458a_100000185160_200000210301 [0,2,0,0,0,0|0,1,0]=3 5624 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_200000210301 [0,2,0,0,0,0|1,1,0]=4 5625 B13R1.338 CC(=O)c1ccc(cc1)[Si](C)(C)C 1458a_100009908145_200000210301 [0,2,0,0,0,0|1,0,0]=3 5626 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210226_200025704644 [0,2,0,0,0,0|1,0,0]=3 5627 B13R1.338 CC(F)(F)c1ccc(cc1)C(=O)[13CH3] 1458a_100000734349_200025704644 [0,2,0,0,0,0|1,0,0]=3 5628 B13R1.338 CN(C)c1ccc(cc1)S(=O)(=O)C 269982a_100000744783_200000210301 [0,2,0,0,0,0|2,0,0]=4 5629 B13R1.338 CN(C)c1ccc(cc1)S(=O)(=O)C 34a_100000744783_200000210301 [0,2,0,0,0,0|2,0,0]=4 5630 B13R1.338 CN(C)c1ccc(cc1)S(=O)(=O)C 7a_100000744783_200000210301 [0,2,0,0,0,0|2,0,0]=4 5631 B13R1.338 CN([13CH3])c1ccc(cc1)S(=O)(=O)C 269982a_100000744783_200025704644 [0,2,0,0,0,0|2,0,0]=4 5632 B13R1.338 CN([13CH3])c1ccc(cc1)S(=O)(=O)C 34a_100000744783_200025704644 [0,2,0,0,0,0|2,0,0]=4 5633 B13R1.338 CN([13CH3])c1ccc(cc1)S(=O)(=O)C 7a_100000744783_200025704644 [0,2,0,0,0,0|2,0,0]=4 5634 B13R1.338 CS(=O)(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000185160_200025704644 [0,2,0,0,0,0|0,1,0]=3 5635 B13R1.338 C[Si](C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100009908145_200025704644 [0,2,0,0,0,0|1,0,0]=3 5636 B13R1.338 [13CH3]C(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_200025704644 [0,2,0,0,0,0|2,0,0]=4 5637 B13R1.338 [13CH3]C(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_200025704644 [0,2,0,0,0,0|1,1,0]=4 5638 B13R1.120 C=C(C)c1ccc(c(c1)Br)C(=O)N 271570a_100000694244_200010146565 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)C 271570a_100000694244_100012360112 [0,2,0,0,0,0|1,0,0]=3 5640 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)N 271570a_100000694244_100011327924 [0,2,0,0,0,0|2,0,0]=4 5641 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)C 271570a_100000694244_100000690205 [0,2,0,0,0,0|1,0,0]=3 5642 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)N 271570a_100000694244_100000216903 [0,2,0,0,0,0|2,0,0]=4 5643 B13R1.120 C=C(C)c1ccc(c(c1)F)C(C)N 271570a_100000694244_100000730447 [0,2,0,0,0,0|2,0,0]=4 5644 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)C 271570a_100000694244_100011590516 [0,2,0,0,0,0|1,0,0]=3 5645 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)N 271570a_100000694244_100012349972 [0,2,0,0,0,0|2,0,0]=4 5646 B13R1.120 C=C(C)c1ccc(c(c1)N)N(C)C 271570a_100000694244_100000737018 [0,2,0,0,0,0|2,0,0]=4 5647 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)C 271570a_100000694244_100000188348 [0,2,0,0,0,0|1,0,0]=3 5648 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)N 271570a_100000694244_100011550861 [0,2,0,0,0,0|2,0,0]=4 5649 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)C 271570a_100000694244_100010146554 [0,2,0,0,0,0|1,0,0]=3 5650 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)N 271570a_100000694244_100009814583 [0,2,0,0,0,0|2,0,0]=4 5651 B13R1.120 C=C(C)c1ccc(cc1Br)C(C)C 271570a_100000694244_200010212211 [0,2,0,0,0,0|2,0,0]=4 5652 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)C 271570a_100000694244_100000697869 [0,2,0,0,0,0|1,0,0]=3 5653 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)N 271570a_100000694244_100011218126 [0,2,0,0,0,0|2,0,0]=4 5654 B13R1.120 C=C(C)c1ccc(cc1C)N(C)C 271570a_100000694244_100011934168 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)C 271570a_100000694244_100000690002 [0,2,0,0,0,0|1,0,0]=3 5656 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)N 271570a_100000694244_100000686215 [0,2,0,0,0,0|2,0,0]=4 5657 B13R1.120 C=C(C)c1ccc(cc1F)[C@H](C)N 271570a_100000694244_100134618348 [0,2,0,0,0,0|2,0,0]=4 5658 B13R1.120 C=C(C)c1ccc(cc1N)C(=O)C 271570a_100000694244_100009816534 [0,2,0,0,0,0|1,0,0]=3 5659 B13R1.120 C=C(C)c1ccc(cc1O)C(=O)N 271570a_100000694244_100012344895 [0,2,0,0,0,0|2,0,0]=4 5660 B13R1.120 C=C(C)c1cnc(c(c1)F)C(=O)C 271570a_100000694244_100000696590 [0,2,0,0,0,0|2,0,0]=4 5661 B13R1.120 C=C(C)c1cnc(cc1C)C(=O)C 271570a_100000694244_100011011822 [0,2,0,0,0,0|2,0,0]=4 5662 B13R1.120 C=C(C)c1ncc(cc1C)C(=O)C 271570a_100000694244_100009864263 [0,2,0,0,0,0|2,0,0]=4 5663 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,2,0,0,0,0|1,0,0]=3 5664 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200000210301 [0,2,0,0,0,0|2,0,0]=4 5665 B13R1.120 CC(=O)c1ccc(c(c1)C)[N+](=O)[O-] 1458a_100000188653_200000210301 [0,2,0,0,0,0|2,0,0]=4 5666 B13R1.120 CC(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200000210301 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.120 CC(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_200000210301 [0,2,0,0,0,0|2,0,0]=4 5668 B13R1.120 CC(=O)c1ccc(cc1C)C(=O)N 1458a_100009913687_200000210301 [0,2,0,0,0,0|2,0,0]=4 5669 B13R1.120 CC(=O)c1ccc(cc1C)[N+](=O)[O-] 1458a_100000745847_200000210301 [0,2,0,0,0,0|2,0,0]=4 5670 B13R1.120 CC(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_200000210301 [0,2,0,0,0,0|2,0,0]=4 5671 B13R1.120 CC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_200000210301 [0,2,0,0,0,0|1,0,0]=3 5672 B13R1.120 CC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000690205 [0,2,0,0,0,0|1,0,0]=3 5673 B13R1.120 CC(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_200000210301 [0,2,0,0,0,0|2,0,0]=4 5674 B13R1.120 CC(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_200000210301 [0,2,0,0,0,0|2,0,0]=4 5675 B13R1.120 CC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_200000210301 [0,2,0,0,0,0|1,0,0]=3 5676 B13R1.120 CC(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200000210301 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.120 CC(=O)c1cnc(c(c1)C)N(C)C 27a_100102631434_100009864263 [0,2,0,0,0,0|2,0,0]=4 5678 B13R1.120 CC(=O)c1cnc(c(c1)O)C(C)C 271570a_203496583355_100010986958 [0,2,0,0,0,0|2,0,0]=4 5679 B13R1.120 CC(C)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100011941423_200025704644 [0,2,0,0,0,0|1,0,0]=3 5680 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,2,0,0,0,0|1,0,0]=3 5681 B13R1.120 CN(C)c1ccc(c(c1)Br)C(=O)N 27a_100102631434_200010146565 [0,2,0,0,0,0|2,0,0]=4 5682 B13R1.120 CN(C)c1ccc(c(c1)F)C(=O)N 27a_100102631434_100000216903 [0,2,0,0,0,0|2,0,0]=4 5683 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000073653_200025704644 [0,2,0,0,0,0|1,0,0]=3 5684 B13R1.120 CN(C)c1ccc(cc1Br)C(=O)N 27a_100102631434_100009814583 [0,2,0,0,0,0|2,0,0]=4 5685 B13R1.120 CN(C)c1ccc(cc1F)C(=O)N 27a_100102631434_100000686215 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.120 Cc1cc(ccc1C(=O)N)N(C)C 27a_100102631434_100011327924 [0,2,0,0,0,0|2,0,0]=4 5687 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])C(=O)N 1458a_100009913687_200025704644 [0,2,0,0,0,0|2,0,0]=4 5688 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000745847_200025704644 [0,2,0,0,0,0|2,0,0]=4 5689 B13R1.120 Cc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100011218126 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000188653_200025704644 [0,2,0,0,0,0|2,0,0]=4 5691 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200025704644 [0,2,0,0,0,0|2,0,0]=4 5692 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200025704644 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.120 [13CH3]C(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_200025704644 [0,2,0,0,0,0|2,0,0]=4 5694 B13R1.120 [13CH3]C(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_200025704644 [0,2,0,0,0,0|2,0,0]=4 5695 B13R1.120 [13CH3]C(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_200025704644 [0,2,0,0,0,0|2,0,0]=4 5696 B13R1.120 [13CH3]C(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_200025704644 [0,2,0,0,0,0|2,0,0]=4 5697 B13R1.120 [13CH3]C(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200025704644 [0,2,0,0,0,0|2,0,0]=4 5698 B13R1.144 C=C(C)c1ccc(c(c1)C)OCC 271570a_100000694244_100011308936 [0,2,0,0,0,0|1,0,0]=3 5699 B13R1.144 C=C(C)c1ccc(c(c1)F)CCO 271570a_100000694244_100011962869 [0,2,0,0,0,0|2,0,0]=4 5700 B13R1.144 C=C(C)c1ccc(c(c1)F)OCC 271570a_100000694244_200000171753 [0,2,0,0,0,0|1,0,0]=3 5701 B13R1.144 C=C(C)c1ccc(c(c1)N)COC 271570a_100000694244_100013084866 [0,2,0,0,0,0|1,0,0]=3 5702 B13R1.144 C=C(C)c1ccc(c(c1)N)OCC 271570a_100000694244_100000751366 [0,2,0,0,0,0|1,0,0]=3 5703 B13R1.144 C=C(C)c1cnc(c(c1)C)OCC 271570a_100000694244_100012351028 [0,2,0,0,0,0|2,0,0]=4 5704 B13R1.144 C=C(C)c1cnc(c(c1)N)OCC 271570a_100000694244_100011433076 [0,2,0,0,0,0|2,0,0]=4 5705 B13R1.144 C=C=Cc1ccc(cc1Br)C(=O)C 271570a_100015277604_100010146554 [0,2,0,0,0,0|1,0,1]=4 5706 B13R1.144 C=C=Cc1ccc(cc1C)C(=O)C 271570a_100015277604_100000697869 [0,2,0,0,0,0|1,0,1]=4 5707 B13R1.144 C=C=Cc1ccc(cc1F)C(=O)C 271570a_100015277604_100000690002 [0,2,0,0,0,0|1,0,1]=4 5708 B13R1.144 C=C=Cc1ccc(cc1N)C(=O)C 271570a_100015277604_100009816534 [0,2,0,0,0,0|1,0,1]=4 5709 B13R1.144 CC(=O)c1cc(c(cn1)SCF)C 62a_100011011822_100015361967 [0,2,0,0,0,0|1,1,0]=4 5710 B13R1.144 CC(=O)c1cc(c(cn1)SCF)C 62a_100015361967_100011011822 [0,2,0,0,0,0|1,1,0]=4 5711 B13R1.144 CC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_100010884425_200025704644 [0,2,0,0,0,0|0,1,0]=3 5712 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 34a_100011772453_100015361967 [0,2,0,0,0,0|0,0,0]=2 5713 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 7a_100011772453_100015361967 [0,2,0,0,0,0|0,0,0]=2 5714 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100010146554_100015361967 [0,2,0,0,0,0|0,1,0]=3 5715 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100010146554 [0,2,0,0,0,0|0,1,0]=3 5716 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 34a_100000188726_100015361967 [0,2,0,0,0,0|0,0,0]=2 5717 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 7a_100000188726_100015361967 [0,2,0,0,0,0|0,0,0]=2 5718 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100000697869_100015361967 [0,2,0,0,0,0|0,1,0]=3 5719 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_100000697869 [0,2,0,0,0,0|0,1,0]=3 5720 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 34a_100000188625_100015361967 [0,2,0,0,0,0|0,0,0]=2 5721 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 7a_100000188625_100015361967 [0,2,0,0,0,0|0,0,0]=2 5722 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 34a_100000751691_100015361967 [0,2,0,0,0,0|0,0,0]=2 5723 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 7a_100000751691_100015361967 [0,2,0,0,0,0|0,0,0]=2 5724 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100000690002_100015361967 [0,2,0,0,0,0|0,1,0]=3 5725 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000690002 [0,2,0,0,0,0|0,1,0]=3 5726 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 34a_100000117292_100015361967 [0,2,0,0,0,0|0,0,0]=2 5727 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 7a_100000117292_100015361967 [0,2,0,0,0,0|0,0,0]=2 5728 B13R1.144 CC(=O)c1ccc(c(c1)N)SCF 62a_100009816534_100015361967 [0,2,0,0,0,0|0,1,0]=3 5729 B13R1.144 CC(=O)c1cnc(c(c1)C)SCF 62a_100009864263_100015361967 [0,2,0,0,0,0|1,1,0]=4 5730 B13R1.144 CC(=O)c1cnc(c(c1)C)SCF 62a_100015361967_100009864263 [0,2,0,0,0,0|1,1,0]=4 5731 B13R1.144 CC(C)c1ccc(c(c1)Cl)OCF 34a_100012182850_100015361967 [0,2,0,0,0,0|1,0,1]=4 5732 B13R1.144 CC(C)c1ccc(c(c1)Cl)OCF 7a_100012182850_100015361967 [0,2,0,0,0,0|1,0,1]=4 5733 B13R1.144 CC(C)c1ccc(c(c1)N)OCF 34a_200000187366_100015361967 [0,2,0,0,0,0|1,0,1]=4 5734 B13R1.144 CC(C)c1ccc(c(c1)N)OCF 7a_200000187366_100015361967 [0,2,0,0,0,0|1,0,1]=4 5735 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)C 271570a_100016259895_100010146554 [0,2,0,0,0,0|1,0,0]=3 5736 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)N 271570a_100016259895_100009814583 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.144 CC=Cc1ccc(cc1C)C(=O)C 271570a_100016259895_100000697869 [0,2,0,0,0,0|1,0,0]=3 5738 B13R1.144 CC=Cc1ccc(cc1C)C(=O)N 271570a_100016259895_100011218126 [0,2,0,0,0,0|2,0,0]=4 5739 B13R1.144 CC=Cc1ccc(cc1F)C(=O)C 271570a_100016259895_100000690002 [0,2,0,0,0,0|1,0,0]=3 5740 B13R1.144 CC=Cc1ccc(cc1F)C(=O)N 271570a_100016259895_100000686215 [0,2,0,0,0,0|2,0,0]=4 5741 B13R1.144 CC=Cc1ccc(cc1N)C(=O)C 271570a_100016259895_100009816534 [0,2,0,0,0,0|1,0,0]=3 5742 B13R1.144 CC=Cc1ccc(cc1O)C(=O)N 271570a_100016259895_100012344895 [0,2,0,0,0,0|2,0,0]=4 5743 B13R1.144 CC=Cc1cnc(cc1C)C(=O)C 271570a_100016259895_100011011822 [0,2,0,0,0,0|2,0,0]=4 5744 B13R1.144 CC=Cc1ncc(cc1C)C(=O)C 271570a_100016259895_100009864263 [0,2,0,0,0,0|2,0,0]=4 5745 B13R1.144 CCCc1ccc(cc1Br)C(=O)C 1458a_200010235943_200000210301 [0,2,0,0,0,0|1,0,0]=3 5746 B13R1.144 CCCc1ccc(cc1Br)C(=O)[13CH3] 1458a_200010235943_200025704644 [0,2,0,0,0,0|1,0,0]=3 5747 B13R1.144 CCNc1ccc(cc1Br)C(=O)N 27a_100015525214_100009814583 [0,2,0,0,0,0|2,0,0]=4 5748 B13R1.144 CCNc1ccc(cc1C)C(=O)N 27a_100015525214_100011218126 [0,2,0,0,0,0|2,0,0]=4 5749 B13R1.144 CCNc1ccc(cc1C)C(=O)N 34a_100000746439_100000210202 [0,2,0,0,0,0|2,0,0]=4 5750 B13R1.144 CCNc1ccc(cc1C)C(=O)N 7a_100000746439_100000210202 [0,2,0,0,0,0|2,0,0]=4 5751 B13R1.144 CCNc1ccc(cc1F)C(=O)N 27a_100015525214_100000686215 [0,2,0,0,0,0|2,0,0]=4 5752 B13R1.144 CCNc1ncc(cc1C)C(=O)C 27a_100015525214_100009864263 [0,2,0,0,0,0|2,0,0]=4 5753 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [0,2,0,0,0,0|0,0,0]=2 5754 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [0,2,0,0,0,0|0,0,0]=2 5755 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [0,2,0,0,0,0|0,0,0]=2 5756 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [0,2,0,0,0,0|0,0,0]=2 5757 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210202 [0,2,0,0,0,0|2,0,0]=4 5758 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210202 [0,2,0,0,0,0|2,0,0]=4 5759 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [0,2,0,0,0,0|0,0,0]=2 5760 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [0,2,0,0,0,0|0,0,0]=2 5761 B13R1.144 CCOc1ccc(cc1C)C(C)C 34a_200012180908_100000210202 [0,2,0,0,0,0|1,0,1]=4 5762 B13R1.144 CCOc1ccc(cc1C)C(C)C 7a_200012180908_100000210202 [0,2,0,0,0,0|1,0,1]=4 5763 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000210202 [0,2,0,0,0,0|2,0,0]=4 5764 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000210202 [0,2,0,0,0,0|2,0,0]=4 5765 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [0,2,0,0,0,0|0,0,0]=2 5766 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [0,2,0,0,0,0|0,0,0]=2 5767 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [0,2,0,0,0,0|0,0,0]=2 5768 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210202 [0,2,0,0,0,0|1,0,0]=3 5769 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210202 [0,2,0,0,0,0|1,0,0]=3 5770 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [0,2,0,0,0,0|0,0,0]=2 5771 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 34a_100012182850_100000210202 [0,2,0,0,0,0|1,0,1]=4 5772 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 7a_100012182850_100000210202 [0,2,0,0,0,0|1,0,1]=4 5773 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210202 [0,2,0,0,0,0|2,0,0]=4 5774 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210202 [0,2,0,0,0,0|2,0,0]=4 5775 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [0,2,0,0,0,0|0,0,0]=2 5776 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [0,2,0,0,0,0|0,0,0]=2 5777 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210202 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210202 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210202 [0,2,0,0,0,0|2,0,0]=4 5780 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210202 [0,2,0,0,0,0|2,0,0]=4 5781 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [0,2,0,0,0,0|0,0,0]=2 5782 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [0,2,0,0,0,0|0,0,0]=2 5783 B13R1.144 CCOc1ccc(cc1N)C(C)C 34a_200000187366_100000210202 [0,2,0,0,0,0|1,0,1]=4 5784 B13R1.144 CCOc1ccc(cc1N)C(C)C 7a_200000187366_100000210202 [0,2,0,0,0,0|1,0,1]=4 5785 B13R1.144 CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210202 [0,2,0,0,0,0|2,0,0]=4 5786 B13R1.144 CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210202 [0,2,0,0,0,0|2,0,0]=4 5787 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100000210202_100010146554 [0,2,0,0,0,0|0,1,0]=3 5788 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210202 [0,2,0,0,0,0|0,1,0]=3 5789 B13R1.144 CCSc1ccc(cc1Br)C(=O)N 62a_100000210202_100009814583 [0,2,0,0,0,0|1,1,0]=4 5790 B13R1.144 CCSc1ccc(cc1Br)C(=O)N 62a_100009814583_100000210202 [0,2,0,0,0,0|1,1,0]=4 5791 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000210202_100000697869 [0,2,0,0,0,0|0,1,0]=3 5792 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210202 [0,2,0,0,0,0|0,1,0]=3 5793 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100000210202_100011218126 [0,2,0,0,0,0|1,1,0]=4 5794 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100011218126_100000210202 [0,2,0,0,0,0|1,1,0]=4 5795 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000210202_100000690002 [0,2,0,0,0,0|0,1,0]=3 5796 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210202 [0,2,0,0,0,0|0,1,0]=3 5797 B13R1.144 CCSc1ccc(cc1F)C(=O)N 62a_100000210202_100000686215 [0,2,0,0,0,0|1,1,0]=4 5798 B13R1.144 CCSc1ccc(cc1F)C(=O)N 62a_100000686215_100000210202 [0,2,0,0,0,0|1,1,0]=4 5799 B13R1.144 CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210202 [0,2,0,0,0,0|0,1,0]=3 5800 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100000210202_100012344895 [0,2,0,0,0,0|1,1,0]=4 5801 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100012344895_100000210202 [0,2,0,0,0,0|1,1,0]=4 5802 B13R1.144 CCSc1cnc(cc1C)C(=O)C 62a_100000210202_100011011822 [0,2,0,0,0,0|1,1,0]=4 5803 B13R1.144 CCSc1cnc(cc1C)C(=O)C 62a_100011011822_100000210202 [0,2,0,0,0,0|1,1,0]=4 5804 B13R1.144 CCSc1ncc(cc1C)C(=O)C 62a_100000210202_100009864263 [0,2,0,0,0,0|1,1,0]=4 5805 B13R1.144 CCSc1ncc(cc1C)C(=O)C 62a_100009864263_100000210202 [0,2,0,0,0,0|1,1,0]=4 5806 B13R1.144 CN(C)c1ccc(c(c1)Cl)CO[13CH3] 34a_200011997356_200025704644 [0,2,0,0,0,0|2,0,0]=4 5807 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 2230a_106832991635_100010884425 [0,2,0,0,0,0|1,0,0]=3 5808 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 26a_100102657272_100011772453 [0,2,0,0,0,0|1,0,0]=3 5809 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 34a_100102657272_100010884425 [0,2,0,0,0,0|1,0,0]=3 5810 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 7a_106832991635_100010884425 [0,2,0,0,0,0|1,0,0]=3 5811 B13R1.144 CNCc1ccc(cc1Cl)C(=O)C 26a_100102657272_100000188625 [0,2,0,0,0,0|1,0,0]=3 5812 B13R1.144 CNCc1ccc(cc1F)C(=O)C 26a_100102657272_100000751691 [0,2,0,0,0,0|1,0,0]=3 5813 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|0,0,0]=2 5814 B13R1.144 COCc1ccc(cc1Br)[N+](=O)[O-] 34a_100138415774_100000741879 [0,2,0,0,0,0|2,0,0]=4 5815 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_200000210301 [0,2,0,0,0,0|2,0,0]=4 5816 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 34a_100138415774_100010218038 [0,2,0,0,0,0|2,0,0]=4 5817 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_200000210301 [0,2,0,0,0,0|2,0,0]=4 5818 B13R1.144 COCc1ccc(cc1Cl)N(C)C 34a_200011997356_200000210301 [0,2,0,0,0,0|2,0,0]=4 5819 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_200000210301 [0,2,0,0,0,0|2,0,0]=4 5820 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100138415774_100000747184 [0,2,0,0,0,0|2,0,0]=4 5821 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_200000210301 [0,2,0,0,0,0|2,0,0]=4 5822 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_200000210301 [0,2,0,0,0,0|2,0,0]=4 5823 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 34a_100138415774_100000759423 [0,2,0,0,0,0|2,0,0]=4 5824 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_200000210301 [0,2,0,0,0,0|2,0,0]=4 5825 B13R1.144 COCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_200000210301 [0,2,0,0,0,0|2,0,0]=4 5826 B13R1.144 COCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_200000210301 [0,2,0,0,0,0|2,0,0]=4 5827 B13R1.144 CSCc1ccc(cc1Br)C(=O)C 62a_100010884425_200000210301 [0,2,0,0,0,0|0,1,0]=3 5828 B13R1.144 Cc1cc(ccc1CO[13CH3])[N+](=O)[O-] 34a_100009883322_200025704644 [0,2,0,0,0,0|2,0,0]=4 5829 B13R1.144 Cc1cc(ccc1CO[13CH3])[N+](=O)[O-] 7a_100009883322_200025704644 [0,2,0,0,0,0|2,0,0]=4 5830 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 34a_100000746439_100015361967 [0,2,0,0,0,0|2,0,0]=4 5831 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 7a_100000746439_100015361967 [0,2,0,0,0,0|2,0,0]=4 5832 B13R1.144 Cc1cc(ccc1OCF)C(C)C 34a_200012180908_100015361967 [0,2,0,0,0,0|1,0,1]=4 5833 B13R1.144 Cc1cc(ccc1OCF)C(C)C 7a_200012180908_100015361967 [0,2,0,0,0,0|1,0,1]=4 5834 B13R1.144 Cc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000744956_100015361967 [0,2,0,0,0,0|2,0,0]=4 5835 B13R1.144 Cc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000744956_100015361967 [0,2,0,0,0,0|2,0,0]=4 5836 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100011218126_100015361967 [0,2,0,0,0,0|1,1,0]=4 5837 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100015361967_100011218126 [0,2,0,0,0,0|1,1,0]=4 5838 B13R1.144 NC(=O)c1ccc(c(c1)Br)SCF 62a_100009814583_100015361967 [0,2,0,0,0,0|1,1,0]=4 5839 B13R1.144 NC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100009814583 [0,2,0,0,0,0|1,1,0]=4 5840 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 34a_200000192832_100015361967 [0,2,0,0,0,0|1,0,0]=3 5841 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 7a_200000192832_100015361967 [0,2,0,0,0,0|1,0,0]=3 5842 B13R1.144 NC(=O)c1ccc(c(c1)F)SCF 62a_100000686215_100015361967 [0,2,0,0,0,0|1,1,0]=4 5843 B13R1.144 NC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000686215 [0,2,0,0,0,0|1,1,0]=4 5844 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100012344895_100015361967 [0,2,0,0,0,0|1,1,0]=4 5845 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012344895 [0,2,0,0,0,0|1,1,0]=4 5846 B13R1.144 Nc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000181223_100015361967 [0,2,0,0,0,0|2,0,0]=4 5847 B13R1.144 Nc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000181223_100015361967 [0,2,0,0,0,0|2,0,0]=4 5848 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 34a_100000756651_100015361967 [0,2,0,0,0,0|2,0,0]=4 5849 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 7a_100000756651_100015361967 [0,2,0,0,0,0|2,0,0]=4 5850 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)OCF 34a_100000206008_100015361967 [0,2,0,0,0,0|2,0,0]=4 5851 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)OCF 7a_100000206008_100015361967 [0,2,0,0,0,0|2,0,0]=4 5852 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)OCF 34a_100000739697_100015361967 [0,2,0,0,0,0|2,0,0]=4 5853 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)OCF 7a_100000739697_100015361967 [0,2,0,0,0,0|2,0,0]=4 5854 B13R1.144 O=[N+]([O-])c1ccc(c(c1)I)OCF 34a_100012047213_100015361967 [0,2,0,0,0,0|2,0,0]=4 5855 B13R1.144 O=[N+]([O-])c1ccc(c(c1)I)OCF 7a_100012047213_100015361967 [0,2,0,0,0,0|2,0,0]=4 5856 B13R1.144 [13CH3]OCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_200025704644 [0,2,0,0,0,0|2,0,0]=4 5857 B13R1.144 [13CH3]OCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_200025704644 [0,2,0,0,0,0|2,0,0]=4 5858 B13R1.144 [13CH3]OCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_200025704644 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.144 [13CH3]OCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_200025704644 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.144 [13CH3]OCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_200025704644 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.144 [13CH3]OCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_200025704644 [0,2,0,0,0,0|2,0,0]=4 5862 B13R1.652 C=C(C)c1cc(c(cc1C)OC)C 271570a_100000694244_100000698960 [0,2,0,0,0,0|1,0,0]=3 5863 B13R1.652 C=C(C)c1cc(c(cc1C)OC)F 271570a_100000694244_100010074640 [0,2,0,0,0,0|1,0,0]=3 5864 B13R1.652 C=C(C)c1cc(c(cc1Cl)OC)N 271570a_100000694244_100011011177 [0,2,0,0,0,0|1,0,0]=3 5865 B13R1.652 C=C(C)c1cc(c(cc1F)OC)F 271570a_100000694244_100009813720 [0,2,0,0,0,0|1,0,0]=3 5866 B13R1.652 C=C(C)c1cc(c(cc1F)OC)N 271570a_100000694244_100012361397 [0,2,0,0,0,0|1,0,0]=3 5867 B13R1.652 C=C(C)c1cc(c(cc1N)OC)C 271570a_100000694244_100010244135 [0,2,0,0,0,0|1,0,0]=3 5868 B13R1.652 C=C(C)c1cc(c(cc1N)OC)F 271570a_100000694244_100010208193 [0,2,0,0,0,0|1,0,0]=3 5869 B13R1.652 C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100011290941_100009816031 [0,2,0,0,0,0|1,0,1]=4 5870 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)F 271570a_100011290941_100012024335 [0,2,0,0,0,0|1,0,1]=4 5871 B13R1.652 C=Cc1cc(c(cc1F)C(=O)C)O 271570a_100011290941_200010245088 [0,2,0,0,0,0|1,0,1]=4 5872 B13R1.652 CC(=O)c1cc(c(cc1F)S[13CH3])F 62a_100012024335_200025704644 [0,2,0,0,0,0|0,1,0]=3 5873 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,2,0,0,0,0|0,1,0]=3 5874 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200010245088_200025704644 [0,2,0,0,0,0|0,1,0]=3 5875 B13R1.652 CNc1cc(c(cc1F)C(=O)N)F 27a_100102657272_100010244962 [0,2,0,0,0,0|2,0,0]=4 5876 B13R1.652 COc1cc(c(cc1Br)C(=O)C)C 1458a_100010233827_200000210301 [0,2,0,0,0,0|0,0,0]=2 5877 B13R1.652 COc1cc(c(cc1Br)C(=O)C)F 1458a_100010270082_200000210301 [0,2,0,0,0,0|0,0,0]=2 5878 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,2,0,0,0,0|0,0,0]=2 5879 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100010233827_200025704644 [0,2,0,0,0,0|0,0,0]=2 5880 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100010270082_200025704644 [0,2,0,0,0,0|0,0,0]=2 5881 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,2,0,0,0,0|0,0,0]=2 5882 B13R1.652 COc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_200000210301 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.652 COc1cc(c(cc1C)C(=O)C)C 1458a_100011996352_200000210301 [0,2,0,0,0,0|0,0,0]=2 5884 B13R1.652 COc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011996352_200025704644 [0,2,0,0,0,0|0,0,0]=2 5885 B13R1.652 COc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_200000210301 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_200000210301 [0,2,0,0,0,0|2,0,0]=4 5887 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_200000210301 [0,2,0,0,0,0|2,0,0]=4 5888 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200000210301 [0,2,0,0,0,0|2,0,0]=4 5889 B13R1.652 COc1cc(c(cc1F)C(=O)C)F 1458a_100009861218_200000210301 [0,2,0,0,0,0|0,0,0]=2 5890 B13R1.652 COc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100009861218_200025704644 [0,2,0,0,0,0|0,0,0]=2 5891 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200000210301 [0,2,0,0,0,0|2,0,0]=4 5892 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200000210301 [0,2,0,0,0,0|2,0,0]=4 5893 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200000210301 [0,2,0,0,0,0|2,0,0]=4 5894 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200000210301 [0,2,0,0,0,0|2,0,0]=4 5895 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 5896 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 5897 B13R1.652 COc1cc(c(cc1O)C(=O)C)Br 1458a_100010074811_200000210301 [0,2,0,0,0,0|0,0,0]=2 5898 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|0,0,0]=2 5899 B13R1.652 COc1cc(c(cc1O)C(=O)[13CH3])Br 1458a_100010074811_200025704644 [0,2,0,0,0,0|0,0,0]=2 5900 B13R1.652 COc1cc(c(cc1O)C(C)C)F 271570a_203496583355_200010202138 [0,2,0,0,0,0|1,0,1]=4 5901 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,2,0,0,0,0|0,1,0]=3 5902 B13R1.652 CSc1cc(c(cc1F)C(=O)C)F 62a_100012024335_200000210301 [0,2,0,0,0,0|0,1,0]=3 5903 B13R1.652 CSc1cc(c(cc1F)C(=O)C)O 62a_200010245088_200000210301 [0,2,0,0,0,0|0,1,0]=3 5904 B13R1.652 CSc1cc(c(cc1F)C(=O)N)F 62a_100010244962_200000210301 [0,2,0,0,0,0|1,1,0]=4 5905 B13R1.652 CSc1cc(c(cc1F)C(=O)N)F 62a_200000210301_100010244962 [0,2,0,0,0,0|1,1,0]=4 5906 B13R1.652 Cc1cc(c(cc1O[13CH3])C)[N+](=O)[O-] 7a_100000736305_200025704644 [0,2,0,0,0,0|2,0,0]=4 5907 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)O[13CH3] 7a_200012359939_200025704644 [0,2,0,0,0,0|2,0,0]=4 5908 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 34a_200000693809_200025704644 [0,2,0,0,0,0|2,0,0]=4 5909 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 7a_200000693809_200025704644 [0,2,0,0,0,0|2,0,0]=4 5910 B13R1.652 [13CH3]Oc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200025704644 [0,2,0,0,0,0|2,0,0]=4 5911 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200025704644 [0,2,0,0,0,0|2,0,0]=4 5912 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200025704644 [0,2,0,0,0,0|2,0,0]=4 5913 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200025704644 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200025704644 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 5916 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 5917 B13R1.652 [13CH3]Sc1cc(c(cc1F)C(=O)N)F 62a_100010244962_200025704644 [0,2,0,0,0,0|1,1,0]=4 5918 B13R1.652 [13CH3]Sc1cc(c(cc1F)C(=O)N)F 62a_200025704644_100010244962 [0,2,0,0,0,0|1,1,0]=4 5919 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)C 1458a_200134618274_200000210301 [0,2,0,0,0,0|1,0,0]=3 5920 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)[13CH3] 1458a_200134618274_200025704644 [0,2,0,0,0,0|1,0,0]=3 5921 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)NC 271570a_100000694244_100013037436 [0,2,0,0,0,0|2,0,0]=4 5922 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)OC 271570a_100000694244_100000188252 [0,2,0,0,0,0|1,0,0]=3 5923 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)OC 271570a_100000694244_100000170026 [0,2,0,0,0,0|1,0,0]=3 5924 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,2,0,0,0,0|1,0,0]=3 5925 B13R1.3091 C=C(C)c1ccc(c(c1)CN)OC 271570a_100000694244_100000690498 [0,2,0,0,0,0|1,0,0]=3 5926 B13R1.3091 C=C(C)c1ccc(c(c1)CO)CC 271570a_100000694244_100010766240 [0,2,0,0,0,0|2,0,0]=4 5927 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [0,2,0,0,0,0|1,0,0]=3 5928 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,2,0,0,0,0|2,0,0]=4 5929 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|1,0,0]=3 5930 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,2,0,0,0,0|1,1,0]=4 5931 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,2,0,0,0,0|1,0,0]=3 5932 B13R1.3091 C=C(C)c1ccc(c(n1)C#N)OC 271570a_100000694244_100011093937 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [0,2,0,0,0,0|2,0,0]=4 5934 B13R1.3091 C=C(C)c1cnc(c(c1)C#N)OC 271570a_100000694244_100011935052 [0,2,0,0,0,0|2,0,0]=4 5935 B13R1.3091 C=C(C)c1cnc(c(c1)C=O)OC 271570a_100000694244_100009814609 [0,2,0,0,0,0|2,0,0]=4 5936 B13R1.3091 C=C(C)c1cnc(c(c1)CO)OC 271570a_100000694244_100000695684 [0,2,0,0,0,0|2,0,0]=4 5937 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [0,2,0,0,0,0|2,0,0]=4 5938 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,2,0,0,0,0|0,0,0]=2 5939 B13R1.3091 C=Cc1cc(ccc1OC)C(C)O 271570a_100011290941_100000246541 [0,2,0,0,0,0|0,0,2]=4 5940 B13R1.3091 C=Cc1ccc(cc1C#N)C(=O)C 271570a_100011290941_100010125495 [0,2,0,0,0,0|1,0,1]=4 5941 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,2,0,0,0,0|1,0,1]=4 5942 B13R1.3091 CC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010125495 [0,2,0,0,0,0|0,1,0]=3 5943 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,2,0,0,0,0|0,0,0]=2 5944 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,2,0,0,0,0|0,0,0]=2 5945 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,2,0,0,0,0|0,0,0]=2 5946 B13R1.3091 CC(C)c1ccc(c(c1)C#N)O[13CH3] 34a_100012186308_200025704644 [0,2,0,0,0,0|1,0,1]=4 5947 B13R1.3091 CC(C)c1ccc(c(c1)C#N)O[13CH3] 7a_100012186308_200025704644 [0,2,0,0,0,0|1,0,1]=4 5948 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,2,0,0,0,0|1,0,0]=3 5949 B13R1.3091 CNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_200000210301 [0,2,0,0,0,0|2,0,0]=4 5950 B13R1.3091 CNc1ccc(cc1C#N)C(=O)C 27a_100102657272_100010125495 [0,2,0,0,0,0|1,0,0]=3 5951 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,2,0,0,0,0|2,0,0]=4 5952 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,2,0,0,0,0|2,0,0]=4 5953 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,2,0,0,0,0|2,0,0]=4 5954 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,2,0,0,0,0|2,0,0]=4 5955 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,2,0,0,0,0|2,0,0]=4 5956 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|0,0,0]=2 5957 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|0,0,0]=2 5958 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|0,0,2]=4 5959 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|0,0,2]=4 5960 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|2,0,0]=4 5961 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|2,0,0]=4 5962 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,2,0,0,0,0|0,1,0]=3 5963 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,2,0,0,0,0|1,1,0]=4 5964 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,2,0,0,0,0|0,1,0]=3 5965 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,2,0,0,0,0|1,1,0]=4 5966 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,2,0,0,0,0|0,0,0]=2 5967 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,2,0,0,0,0|0,0,0]=2 5968 B13R1.3091 COc1ccc(cc1C#N)C(C)C 34a_100012186308_200000210301 [0,2,0,0,0,0|1,0,1]=4 5969 B13R1.3091 COc1ccc(cc1C#N)C(C)C 7a_100012186308_200000210301 [0,2,0,0,0,0|1,0,1]=4 5970 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200000210301 [0,2,0,0,0,0|2,0,0]=4 5971 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200000210301 [0,2,0,0,0,0|2,0,0]=4 5972 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200000210301 [0,2,0,0,0,0|2,0,0]=4 5973 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200000210301 [0,2,0,0,0,0|2,0,0]=4 5974 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,2,0,0,0,0|0,0,0]=2 5975 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,2,0,0,0,0|0,0,0]=2 5976 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,2,0,0,0,0|0,0,0]=2 5977 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200000210301 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200000210301 [0,2,0,0,0,0|2,0,0]=4 5979 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,2,0,0,0,0|1,0,0]=3 5980 B13R1.3091 COc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000738153_200025704644 [0,2,0,0,0,0|2,0,0]=4 5981 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|0,0,0]=2 5982 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|0,0,0]=2 5983 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|0,0,0]=2 5984 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|0,0,0]=2 5985 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|0,0,0]=2 5986 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|0,0,0]=2 5987 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|0,0,2]=4 5988 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|0,0,2]=4 5989 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|2,0,0]=4 5990 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|2,0,0]=4 5991 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|2,0,0]=4 5992 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|2,0,0]=4 5993 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|0,0,0]=2 5994 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|0,0,0]=2 5995 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,2,0,0,0,0|0,0,0]=2 5998 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,2,0,0,0,0|0,0,0]=2 5999 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_100000246541_200000210301 [0,2,0,0,0,0|0,0,2]=4 6000 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_200000210301_100000246541 [0,2,0,0,0,0|0,0,2]=4 6001 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,2,0,0,0,0|0,0,0]=2 6002 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,2,0,0,0,0|0,0,0]=2 6003 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_100000246541_200025704644 [0,2,0,0,0,0|0,0,2]=4 6004 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_200025704644_100000246541 [0,2,0,0,0,0|0,0,2]=4 6005 B13R1.3091 CSc1ccc(cc1C#N)C(=O)C 62a_200000210301_100010125495 [0,2,0,0,0,0|0,1,0]=3 6006 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200025704644 [0,2,0,0,0,0|2,0,0]=4 6007 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200025704644 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200025704644 [0,2,0,0,0,0|2,0,0]=4 6009 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200025704644 [0,2,0,0,0,0|2,0,0]=4 6010 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200025704644 [0,2,0,0,0,0|2,0,0]=4 6011 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200025704644 [0,2,0,0,0,0|2,0,0]=4 6012 B13R1.3096 C=C(C)c1ccc(c(c1C)C)OC 271570a_100000694244_100000049725 [0,2,0,0,0,0|1,0,0]=3 6013 B13R1.3096 C=C(C)c1ccc(c(c1C)F)SC 271570a_100000694244_202125771832 [0,2,0,0,0,0|1,1,0]=4 6014 B13R1.3096 C=C(C)c1ccc(c(c1F)F)OC 271570a_100000694244_100009816879 [0,2,0,0,0,0|1,0,0]=3 6015 B13R1.3096 C=C(C)c1cnc(c(c1C)N)OC 271570a_100000694244_100010380692 [0,2,0,0,0,0|2,0,0]=4 6016 B13R1.3096 C=Cc1ccc(c(c1F)F)C(=O)C 271570a_100011290941_100010174444 [0,2,0,0,0,0|1,0,1]=4 6017 B13R1.3096 CC(=O)c1ccc(c(c1F)F)C#N 1458a_100009910395_200000210301 [0,2,0,0,0,0|2,0,0]=4 6018 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_100010174444_200025704644 [0,2,0,0,0,0|0,1,0]=3 6019 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010174444 [0,2,0,0,0,0|0,1,0]=3 6020 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [0,2,0,0,0,0|0,0,0]=2 6021 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [0,2,0,0,0,0|0,0,0]=2 6022 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_200000210301 [0,2,0,0,0,0|2,0,0]=4 6023 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_200000210301 [0,2,0,0,0,0|2,0,0]=4 6024 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200000210301 [0,2,0,0,0,0|2,0,0]=4 6025 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200000210301 [0,2,0,0,0,0|2,0,0]=4 6026 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200000210301 [0,2,0,0,0,0|2,0,0]=4 6027 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200000210301 [0,2,0,0,0,0|2,0,0]=4 6028 B13R1.3096 COc1ccc(c(c1F)F)C(=O)C 1458a_100000061877_200000210301 [0,2,0,0,0,0|0,0,0]=2 6029 B13R1.3096 COc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100000061877_200025704644 [0,2,0,0,0,0|0,0,0]=2 6030 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200000210301 [0,2,0,0,0,0|2,0,0]=4 6031 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200000210301 [0,2,0,0,0,0|2,0,0]=4 6032 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,2,0,0,0,0|0,0,0]=2 6033 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|0,0,0]=2 6034 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|0,0,0]=2 6035 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_100010174444_200000210301 [0,2,0,0,0,0|0,1,0]=3 6036 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_200000210301_100010174444 [0,2,0,0,0,0|0,1,0]=3 6037 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 34a_100011217262_200025704644 [0,2,0,0,0,0|2,0,0]=4 6038 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 7a_100011217262_200025704644 [0,2,0,0,0,0|2,0,0]=4 6039 B13R1.3096 [13CH3]C(=O)c1ccc(c(c1F)F)C#N 1458a_100009910395_200025704644 [0,2,0,0,0,0|2,0,0]=4 6040 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200025704644 [0,2,0,0,0,0|2,0,0]=4 6041 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200025704644 [0,2,0,0,0,0|2,0,0]=4 6042 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200025704644 [0,2,0,0,0,0|2,0,0]=4 6043 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200025704644 [0,2,0,0,0,0|2,0,0]=4 6044 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200025704644 [0,2,0,0,0,0|2,0,0]=4 6045 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200025704644 [0,2,0,0,0,0|2,0,0]=4 6046 B13R1.3380 C=C(C)c1cc(c(c(c1)Br)OC)C 271570a_100000694244_100010997178 [0,2,0,0,0,0|1,0,0]=3 6047 B13R1.3380 C=C(C)c1cc(c(c(c1)C)OC)C 271570a_100000694244_100000211903 [0,2,0,0,0,0|1,0,0]=3 6048 B13R1.3380 C=C(C)c1cc(c(c(c1)Cl)OC)Cl 271570a_100000694244_200010110313 [0,2,0,0,0,0|1,0,0]=3 6049 B13R1.3380 C=C(C)c1cc(c(c(c1)F)OC)F 271570a_100000694244_100009813559 [0,2,0,0,0,0|1,0,0]=3 6050 B13R1.3380 C=C(C)c1cc(c(c(c1)F)OC)N 271570a_100000694244_200010245146 [0,2,0,0,0,0|1,0,0]=3 6051 B13R1.3380 C=C(C)c1cc(c(c(c1)F)SC)F 271570a_100000694244_200010732561 [0,2,0,0,0,0|1,1,0]=4 6052 B13R1.3380 C=Cc1c(cc(cc1F)C(=O)C)F 271570a_100011290941_100010371124 [0,2,0,0,0,0|1,0,1]=4 6053 B13R1.3380 CC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100000186470_200025704644 [0,2,0,0,0,0|0,0,0]=2 6054 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 34a_100011934020_200025704644 [0,2,0,0,0,0|0,0,0]=2 6055 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 7a_100011934020_200025704644 [0,2,0,0,0,0|0,0,0]=2 6056 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 34a_100012337704_200025704644 [0,2,0,0,0,0|0,0,0]=2 6057 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100012337704_200025704644 [0,2,0,0,0,0|0,0,0]=2 6058 B13R1.3380 CC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200000210301 [0,2,0,0,0,0|2,0,0]=4 6059 B13R1.3380 CC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_100010371124_200025704644 [0,2,0,0,0,0|0,1,0]=3 6060 B13R1.3380 CC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_100010371124 [0,2,0,0,0,0|0,1,0]=3 6061 B13R1.3380 CC(C)c1cc(c(c(c1)Br)O[13CH3])Br 34a_200010158984_200025704644 [0,2,0,0,0,0|1,0,1]=4 6062 B13R1.3380 CC(C)c1cc(c(c(c1)Br)O[13CH3])Br 7a_200010158984_200025704644 [0,2,0,0,0,0|1,0,1]=4 6063 B13R1.3380 CNc1c(cc(cc1C)C(=O)N)C 34a_100000068766_200000210301 [0,2,0,0,0,0|2,0,0]=4 6064 B13R1.3380 CNc1c(cc(cc1C)C(=O)N)C 7a_100000068766_200000210301 [0,2,0,0,0,0|2,0,0]=4 6065 B13R1.3380 CNc1c(cc(cc1Cl)C(=O)N)F 34a_200010988576_200000210301 [0,2,0,0,0,0|2,0,0]=4 6066 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 1458a_100012337705_200000210301 [0,2,0,0,0,0|0,0,0]=2 6067 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 7a_100000186470_200000210301 [0,2,0,0,0,0|0,0,0]=2 6068 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)O 1458a_100010760816_200000210301 [0,2,0,0,0,0|0,0,0]=2 6069 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100012337705_200025704644 [0,2,0,0,0,0|0,0,0]=2 6070 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])O 1458a_100010760816_200025704644 [0,2,0,0,0,0|0,0,0]=2 6071 B13R1.3380 COc1c(cc(cc1Br)C(C)C)Br 34a_200010158984_200000210301 [0,2,0,0,0,0|1,0,1]=4 6072 B13R1.3380 COc1c(cc(cc1Br)C(C)C)Br 7a_200010158984_200000210301 [0,2,0,0,0,0|1,0,1]=4 6073 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_200000210301 [0,2,0,0,0,0|2,0,0]=4 6074 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_200000210301 [0,2,0,0,0,0|2,0,0]=4 6075 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_200000210301 [0,2,0,0,0,0|2,0,0]=4 6076 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_200000210301 [0,2,0,0,0,0|2,0,0]=4 6077 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_200000210301 [0,2,0,0,0,0|2,0,0]=4 6078 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_200000210301 [0,2,0,0,0,0|2,0,0]=4 6079 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_200000210301 [0,2,0,0,0,0|2,0,0]=4 6080 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 1458a_100000696790_200000210301 [0,2,0,0,0,0|0,0,0]=2 6081 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 34a_100011934020_200000210301 [0,2,0,0,0,0|0,0,0]=2 6082 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 7a_100011934020_200000210301 [0,2,0,0,0,0|0,0,0]=2 6083 B13R1.3380 COc1c(cc(cc1C)C(=O)[13CH3])C 1458a_100000696790_200025704644 [0,2,0,0,0,0|0,0,0]=2 6084 B13R1.3380 COc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_200000210301 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.3380 COc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_200000210301 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 1458a_100000013545_200000210301 [0,2,0,0,0,0|0,0,0]=2 6087 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 34a_100012337704_200000210301 [0,2,0,0,0,0|0,0,0]=2 6088 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 7a_100012337704_200000210301 [0,2,0,0,0,0|0,0,0]=2 6089 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)F 1458a_100011356498_200000210301 [0,2,0,0,0,0|0,0,0]=2 6090 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100000013545_200025704644 [0,2,0,0,0,0|0,0,0]=2 6091 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])F 1458a_100011356498_200025704644 [0,2,0,0,0,0|0,0,0]=2 6092 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_200000210301 [0,2,0,0,0,0|2,0,0]=4 6093 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_200000210301 [0,2,0,0,0,0|2,0,0]=4 6094 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_200000210301 [0,2,0,0,0,0|2,0,0]=4 6095 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_200000210301 [0,2,0,0,0,0|2,0,0]=4 6096 B13R1.3380 COc1c(cc(cc1F)C(=O)C)F 1458a_100011216840_200000210301 [0,2,0,0,0,0|0,0,0]=2 6097 B13R1.3380 COc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100011216840_200025704644 [0,2,0,0,0,0|0,0,0]=2 6098 B13R1.3380 COc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_200000210301 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.3380 COc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_200000210301 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.3380 COc1c(cc(cc1I)C(=O)C)F 1458a_100012920440_200000210301 [0,2,0,0,0,0|0,0,0]=2 6101 B13R1.3380 COc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012920440_200025704644 [0,2,0,0,0,0|0,0,0]=2 6102 B13R1.3380 COc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_200000210301 [0,2,0,0,0,0|2,0,0]=4 6103 B13R1.3380 COc1c(cc(cc1O)C(=O)C)O 1458a_100000073573_200000210301 [0,2,0,0,0,0|0,0,0]=2 6104 B13R1.3380 COc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000073573_200025704644 [0,2,0,0,0,0|0,0,0]=2 6105 B13R1.3380 CSc1c(cc(cc1C)C(=O)N)C 62a_200000210301_200009816865 [0,2,0,0,0,0|1,1,0]=4 6106 B13R1.3380 CSc1c(cc(cc1C)C(=O)N)C 62a_200009816865_200000210301 [0,2,0,0,0,0|1,1,0]=4 6107 B13R1.3380 CSc1c(cc(cc1F)C(=O)C)F 62a_100010371124_200000210301 [0,2,0,0,0,0|0,1,0]=3 6108 B13R1.3380 CSc1c(cc(cc1F)C(=O)C)F 62a_200000210301_100010371124 [0,2,0,0,0,0|0,1,0]=3 6109 B13R1.3380 CSc1c(cc(cc1O)C(=O)N)O 62a_200000210301_200009814324 [0,2,0,0,0,0|1,1,0]=4 6110 B13R1.3380 CSc1c(cc(cc1O)C(=O)N)O 62a_200009814324_200000210301 [0,2,0,0,0,0|1,1,0]=4 6111 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)C(=O)N 34a_100000068766_200025704644 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)C(=O)N 7a_100000068766_200025704644 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.3380 Cc1cc(cc(c1O[13CH3])Br)[N+](=O)[O-] 34a_100010889268_200025704644 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.3380 Cc1cc(cc(c1O[13CH3])Br)[N+](=O)[O-] 7a_100010889268_200025704644 [0,2,0,0,0,0|2,0,0]=4 6115 B13R1.3380 Cc1cc(cc(c1O[13CH3])C)[N+](=O)[O-] 34a_100011217877_200025704644 [0,2,0,0,0,0|2,0,0]=4 6116 B13R1.3380 Cc1cc(cc(c1O[13CH3])C)[N+](=O)[O-] 7a_100011217877_200025704644 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.3380 Cc1cc(cc(c1S[13CH3])C)C(=O)N 62a_200009816865_200025704644 [0,2,0,0,0,0|1,1,0]=4 6118 B13R1.3380 Cc1cc(cc(c1S[13CH3])C)C(=O)N 62a_200025704644_200009816865 [0,2,0,0,0,0|1,1,0]=4 6119 B13R1.3380 [13CH3]C(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200025704644 [0,2,0,0,0,0|2,0,0]=4 6120 B13R1.3380 [13CH3]Nc1c(cc(cc1Cl)C(=O)N)F 34a_200010988576_200025704644 [0,2,0,0,0,0|2,0,0]=4 6121 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_200025704644 [0,2,0,0,0,0|2,0,0]=4 6122 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_200025704644 [0,2,0,0,0,0|2,0,0]=4 6123 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_200025704644 [0,2,0,0,0,0|2,0,0]=4 6124 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_200025704644 [0,2,0,0,0,0|2,0,0]=4 6125 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_200025704644 [0,2,0,0,0,0|2,0,0]=4 6126 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_200025704644 [0,2,0,0,0,0|2,0,0]=4 6127 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_200025704644 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_200025704644 [0,2,0,0,0,0|2,0,0]=4 6129 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_200025704644 [0,2,0,0,0,0|2,0,0]=4 6130 B13R1.3380 [13CH3]Oc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_200025704644 [0,2,0,0,0,0|2,0,0]=4 6131 B13R1.3380 [13CH3]Oc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_200025704644 [0,2,0,0,0,0|2,0,0]=4 6132 B13R1.3380 [13CH3]Oc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_200025704644 [0,2,0,0,0,0|2,0,0]=4 6133 B13R1.3380 [13CH3]Sc1c(cc(cc1O)C(=O)N)O 62a_200009814324_200025704644 [0,2,0,0,0,0|1,1,0]=4 6134 B13R1.3380 [13CH3]Sc1c(cc(cc1O)C(=O)N)O 62a_200025704644_200009814324 [0,2,0,0,0,0|1,1,0]=4 6135 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 27a_100000212058_100000162191 [0,2,0,0,0,0|2,0,0]=4 6136 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000184674 [0,2,0,0,0,0|2,0,0]=4 6137 B13R1.74 C#CCNc1ccc(cn1)C(=O)C 27a_100000212058_100000690552 [0,2,0,0,0,0|2,0,0]=4 6138 B13R1.74 C#CCOc1ccc(cc1)C(=C)C 34a_100009880102_100000184674 [0,2,0,0,0,0|1,0,0]=3 6139 B13R1.74 C#CCOc1ccc(cc1)C(=C)C 7a_100009880102_100000038162 [0,2,0,0,0,0|1,0,0]=3 6140 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000184674 [0,2,0,0,0,0|0,0,0]=2 6141 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000038162 [0,2,0,0,0,0|0,0,0]=2 6142 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000184674 [0,2,0,0,0,0|1,0,0]=3 6143 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000038162 [0,2,0,0,0,0|1,0,0]=3 6144 B13R1.74 C#CCOc1ccc(cc1)C(C)C 34a_100000181308_100000184674 [0,2,0,0,0,0|1,0,1]=4 6145 B13R1.74 C#CCOc1ccc(cc1)C(C)C 7a_100000181308_100000038162 [0,2,0,0,0,0|1,0,1]=4 6146 B13R1.74 C#CCOc1ccc(cc1)C(C)O 34a_100000754508_100000184674 [0,2,0,0,0,0|0,0,2]=4 6147 B13R1.74 C#CCOc1ccc(cc1)C(C)O 7a_100000754508_100000038162 [0,2,0,0,0,0|0,0,2]=4 6148 B13R1.74 C#CCOc1ccc(cc1)N(C)C 34a_100000718910_100000184674 [0,2,0,0,0,0|2,0,0]=4 6149 B13R1.74 C#CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000184674 [0,2,0,0,0,0|1,0,0]=3 6150 B13R1.74 C#CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000038162 [0,2,0,0,0,0|1,0,0]=3 6151 B13R1.74 C#CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000184674 [0,2,0,0,0,0|1,0,1]=4 6152 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000184674 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000038162 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.74 C#CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000184674 [0,2,0,0,0,0|2,0,0]=4 6155 B13R1.74 C#CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000038162 [0,2,0,0,0,0|2,0,0]=4 6156 B13R1.74 C#CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000184674 [0,2,0,0,0,0|1,0,0]=3 6157 B13R1.74 C#CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000038162 [0,2,0,0,0,0|1,0,0]=3 6158 B13R1.74 C#CCSc1ccc(cc1)C(=C)C 62a_100000038162_100000185454 [0,2,0,0,0,0|1,1,0]=4 6159 B13R1.74 C#CCSc1ccc(cc1)C(=O)C 62a_100000038162_100000185465 [0,2,0,0,0,0|0,1,0]=3 6160 B13R1.74 C#CCSc1ccc(cc1)C(=O)N 62a_100000038162_100000162191 [0,2,0,0,0,0|1,1,0]=4 6161 B13R1.74 C#CCSc1ccc(cn1)C(=O)C 62a_100000038162_100000684857 [0,2,0,0,0,0|1,1,0]=4 6162 B13R1.74 C#CCSc1ccc(nc1)C(=O)C 62a_100000038162_100000686046 [0,2,0,0,0,0|1,1,0]=4 6163 B13R1.74 C=C(C)c1ccc(cc1)C#CCO 271570a_100000694244_100009814260 [0,2,0,0,0,0|2,0,0]=4 6164 B13R1.74 C=C(C)c1ccc(cc1)C=COC 271570a_100000694244_100020630460 [0,2,0,0,0,0|1,0,0]=3 6165 B13R1.74 C=C(C)c1ccc(cc1)CCC#N 271570a_100000694244_100011216407 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.74 C=C(C)c1ccc(cc1)CCC=O 271570a_100000694244_100011361538 [0,2,0,0,0,0|2,0,0]=4 6167 B13R1.74 C=C(C)c1ccc(cc1)CCCC 271570a_100000694244_100011215597 [0,2,0,0,0,0|2,0,0]=4 6168 B13R1.74 C=C(C)c1ccc(cc1)CCCC 271570a_100020621405_100000185454 [0,2,0,0,0,0|2,0,0]=4 6169 B13R1.74 C=C(C)c1ccc(cc1)CCCN 271570a_100000694244_100011297623 [0,2,0,0,0,0|2,0,0]=4 6170 B13R1.74 C=C(C)c1ccc(cc1)CCCO 271570a_100000694244_100011709247 [0,2,0,0,0,0|2,0,0]=4 6171 B13R1.74 C=C(C)c1ccc(cc1)CCNC 271570a_100000694244_100000752880 [0,2,0,0,0,0|2,0,0]=4 6172 B13R1.74 C=C(C)c1ccc(cc1)CCOC 271570a_100000694244_100000739703 [0,2,0,0,0,0|1,0,0]=3 6173 B13R1.74 C=C(C)c1ccc(cc1)CNCC 271570a_100000694244_100000187385 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.74 C=C(C)c1ccc(cc1)COCC 271570a_100000694244_100000758564 [0,2,0,0,0,0|1,0,0]=3 6175 B13R1.74 C=C(C)c1ccc(cc1)OCC#N 271570a_100000694244_200000169425 [0,2,0,0,0,0|1,0,0]=3 6176 B13R1.74 C=C(C)c1ccc(cc1)OCC#N 7a_100009880102_100011215382 [0,2,0,0,0,0|1,0,0]=3 6177 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 34a_100009880102_200009817547 [0,2,0,0,0,0|1,0,0]=3 6178 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 7a_100009880102_200015260668 [0,2,0,0,0,0|1,0,0]=3 6179 B13R1.74 C=C(C)c1ccc(cc1)OCCC 271570a_100000694244_100000169948 [0,2,0,0,0,0|1,0,0]=3 6180 B13R1.74 C=C(C)c1ccc(cc1)OCCC 34a_100009880102_100000210303 [0,2,0,0,0,0|1,0,0]=3 6181 B13R1.74 C=C(C)c1ccc(cc1)OCCC 7a_100009880102_100000210303 [0,2,0,0,0,0|1,0,0]=3 6182 B13R1.74 C=C(C)c1ccc(cc1)OCCF 271570a_100000694244_100012347556 [0,2,0,0,0,0|1,0,0]=3 6183 B13R1.74 C=C(C)c1ccc(cc1)OCCF 34a_100009880102_100011217306 [0,2,0,0,0,0|1,0,0]=3 6184 B13R1.74 C=C(C)c1ccc(cc1)OCCF 7a_100009880102_100011217306 [0,2,0,0,0,0|1,0,0]=3 6185 B13R1.74 C=C(C)c1ccc(cc1)OCCN 271570a_100000694244_100000746992 [0,2,0,0,0,0|1,0,0]=3 6186 B13R1.74 C=C(C)c1ccc(cc1)OCCO 271570a_100000694244_100000686261 [0,2,0,0,0,0|1,0,0]=3 6187 B13R1.74 C=C(C)c1ccc(cc1)OCCO 34a_100009880102_100000211926 [0,2,0,0,0,0|1,0,0]=3 6188 B13R1.74 C=C(C)c1ccc(cc1)OCCO 7a_100009880102_100000211926 [0,2,0,0,0,0|1,0,0]=3 6189 B13R1.74 C=C(C)c1ccc(cc1)OCOC 271570a_100000694244_100012265687 [0,2,0,0,0,0|1,0,0]=3 6190 B13R1.74 C=C(C)c1ccc(cc1)OCSC 34a_100009880102_100011218213 [0,2,0,0,0,0|1,0,0]=3 6191 B13R1.74 C=C(C)c1ccc(cc1)SCC#N 62a_100000185454_100011215382 [0,2,0,0,0,0|1,1,0]=4 6192 B13R1.74 C=C(C)c1ccc(cc1)SCC#N 62a_100011215382_100000185454 [0,2,0,0,0,0|1,1,0]=4 6193 B13R1.74 C=C(C)c1ccc(cc1)SCC=O 62a_100000185454_200015260668 [0,2,0,0,0,0|1,1,0]=4 6194 B13R1.74 C=C(C)c1ccc(cc1)SCC=O 62a_200015260668_100000185454 [0,2,0,0,0,0|1,1,0]=4 6195 B13R1.74 C=C(C)c1ccc(cc1)SCCC 271570a_100000694244_200009811899 [0,2,0,0,0,0|1,1,0]=4 6196 B13R1.74 C=C(C)c1ccc(cc1)SCCC 62a_100000185454_100000210303 [0,2,0,0,0,0|1,1,0]=4 6197 B13R1.74 C=C(C)c1ccc(cc1)SCCC 62a_100000210303_100000185454 [0,2,0,0,0,0|1,1,0]=4 6198 B13R1.74 C=C(C)c1ccc(cc1)SCCF 62a_100000185454_100011217306 [0,2,0,0,0,0|1,1,0]=4 6199 B13R1.74 C=C(C)c1ccc(cc1)SCCF 62a_100011217306_100000185454 [0,2,0,0,0,0|1,1,0]=4 6200 B13R1.74 C=C(C)c1ccc(cc1)SCCN 271570a_100000694244_100000184645 [0,2,0,0,0,0|1,1,0]=4 6201 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000185454_100000211926 [0,2,0,0,0,0|1,1,0]=4 6202 B13R1.74 C=C(C)c1ccc(cc1)SCCO 62a_100000211926_100000185454 [0,2,0,0,0,0|1,1,0]=4 6203 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000185454_100000766300 [0,2,0,0,0,0|1,0,0]=3 6204 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000766300_100000185454 [0,2,0,0,0,0|1,0,0]=3 6205 B13R1.74 C=C(C)c1ccc(cc1)SCSC 62a_100000185454_100011218213 [0,2,0,0,0,0|1,1,0]=4 6206 B13R1.74 C=C(C)c1ccc(cc1)SCSC 62a_100011218213_100000185454 [0,2,0,0,0,0|1,1,0]=4 6207 B13R1.74 C=C(C)c1ccc(cn1)COCC 271570a_100000694244_100011206209 [0,2,0,0,0,0|2,0,0]=4 6208 B13R1.74 C=C(C)c1ccc(cn1)OCCC 271570a_100000694244_100000719977 [0,2,0,0,0,0|2,0,0]=4 6209 B13R1.74 C=C(C)c1ccc(cn1)OCCO 271570a_100000694244_200013150534 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.74 C=C(C)c1ccc(cn1)OCOC 271570a_100000694244_100012568617 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.74 C=C(C)c1ccc(nc1)OCCC 271570a_100000694244_100011465619 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 27a_100020586998_100000162191 [0,2,0,0,0,0|2,0,0]=4 6213 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 34a_100000210537_100015514636 [0,2,0,0,0,0|2,0,0]=4 6214 B13R1.74 C=CCNc1ccc(cn1)C(=O)C 27a_100020586998_100000690552 [0,2,0,0,0,0|2,0,0]=4 6215 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 271570a_100000694244_100000172055 [0,2,0,0,0,0|1,0,0]=3 6216 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 34a_100009880102_100015514636 [0,2,0,0,0,0|1,0,0]=3 6217 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 7a_100009880102_100015514636 [0,2,0,0,0,0|1,0,0]=3 6218 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 1458a_100000216320_200000210301 [0,2,0,0,0,0|0,0,0]=2 6219 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100015514636 [0,2,0,0,0,0|0,0,0]=2 6220 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100015514636 [0,2,0,0,0,0|0,0,0]=2 6221 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 34a_100000746352_100015514636 [0,2,0,0,0,0|1,0,0]=3 6222 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 7a_100000746352_100015514636 [0,2,0,0,0,0|1,0,0]=3 6223 B13R1.74 C=CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000216320_200025704644 [0,2,0,0,0,0|0,0,0]=2 6224 B13R1.74 C=CCOc1ccc(cc1)C(C)C 34a_100000181308_100015514636 [0,2,0,0,0,0|1,0,1]=4 6225 B13R1.74 C=CCOc1ccc(cc1)C(C)C 7a_100000181308_100015514636 [0,2,0,0,0,0|1,0,1]=4 6226 B13R1.74 C=CCOc1ccc(cc1)C(C)O 34a_100000754508_100015514636 [0,2,0,0,0,0|0,0,2]=4 6227 B13R1.74 C=CCOc1ccc(cc1)C(C)O 7a_100000754508_100015514636 [0,2,0,0,0,0|0,0,2]=4 6228 B13R1.74 C=CCOc1ccc(cc1)N(C)C 34a_100000718910_100015514636 [0,2,0,0,0,0|2,0,0]=4 6229 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 34a_200000064373_100015514636 [0,2,0,0,0,0|1,0,0]=3 6230 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 7a_200000064373_100015514636 [0,2,0,0,0,0|1,0,0]=3 6231 B13R1.74 C=CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100015514636 [0,2,0,0,0,0|1,0,1]=4 6232 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015514636 [0,2,0,0,0,0|2,0,0]=4 6233 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015514636 [0,2,0,0,0,0|2,0,0]=4 6234 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100015514636 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.74 C=CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100015514636 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 34a_100012001710_100015514636 [0,2,0,0,0,0|1,0,0]=3 6237 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 7a_100012001710_100015514636 [0,2,0,0,0,0|1,0,0]=3 6238 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000185454_100000210623 [0,2,0,0,0,0|1,1,0]=4 6239 B13R1.74 C=CCSc1ccc(cc1)C(=C)C 62a_100000210623_100000185454 [0,2,0,0,0,0|1,1,0]=4 6240 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210623 [0,2,0,0,0,0|0,1,0]=3 6241 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000210623_100000185465 [0,2,0,0,0,0|0,1,0]=3 6242 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210623 [0,2,0,0,0,0|1,1,0]=4 6243 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000210623_100000162191 [0,2,0,0,0,0|1,1,0]=4 6244 B13R1.74 C=CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210623 [0,2,0,0,0,0|1,1,0]=4 6245 B13R1.74 C=CCSc1ccc(cn1)C(=O)C 62a_100000210623_100000684857 [0,2,0,0,0,0|1,1,0]=4 6246 B13R1.74 C=CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210623 [0,2,0,0,0,0|1,1,0]=4 6247 B13R1.74 C=CCSc1ccc(nc1)C(=O)C 62a_100000210623_100000686046 [0,2,0,0,0,0|1,1,0]=4 6248 B13R1.74 C=CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210623 [0,2,0,0,0,0|1,1,0]=4 6249 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200000038727_200025704644 [0,2,0,0,0,0|0,1,0]=3 6250 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200025704644_200000038727 [0,2,0,0,0,0|0,1,0]=3 6251 B13R1.74 CC(=O)c1ccc(cc1)COCF 7a_100000082505_100015361967 [0,2,0,0,0,0|0,0,0]=2 6252 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100000756337_100015361967 [0,2,0,0,0,0|0,1,0]=3 6253 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000756337 [0,2,0,0,0,0|0,1,0]=3 6254 B13R1.74 CC(=O)c1ccc(cc1)OCC#N 7a_100000185113_100011215382 [0,2,0,0,0,0|0,0,0]=2 6255 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,2,0,0,0,0|0,0,0]=2 6256 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,2,0,0,0,0|0,0,0]=2 6257 B13R1.74 CC(=O)c1ccc(cc1)OCCF 34a_100000185113_100011217306 [0,2,0,0,0,0|0,0,0]=2 6258 B13R1.74 CC(=O)c1ccc(cc1)OCCF 7a_100000185113_100011217306 [0,2,0,0,0,0|0,0,0]=2 6259 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|0,0,0]=2 6260 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|0,0,0]=2 6261 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|0,0,0]=2 6262 B13R1.74 CC(=O)c1ccc(cc1)SCC#N 62a_100000185465_100011215382 [0,2,0,0,0,0|0,1,0]=3 6263 B13R1.74 CC(=O)c1ccc(cc1)SCC#N 62a_100011215382_100000185465 [0,2,0,0,0,0|0,1,0]=3 6264 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_100000185465_200015260668 [0,2,0,0,0,0|0,1,0]=3 6265 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000185465 [0,2,0,0,0,0|0,1,0]=3 6266 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100000185465_100011217306 [0,2,0,0,0,0|0,1,0]=3 6267 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000185465 [0,2,0,0,0,0|0,1,0]=3 6268 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|0,1,0]=3 6269 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|0,1,0]=3 6270 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|0,1,0]=3 6271 B13R1.74 CC(=O)c1ccc(cn1)OCC#N 7a_100012001710_100011215382 [0,2,0,0,0,0|1,0,0]=3 6272 B13R1.74 CC(=O)c1ccc(cn1)OCC=O 34a_100012001710_200009817547 [0,2,0,0,0,0|1,0,0]=3 6273 B13R1.74 CC(=O)c1ccc(cn1)OCC=O 7a_100012001710_200015260668 [0,2,0,0,0,0|1,0,0]=3 6274 B13R1.74 CC(=O)c1ccc(cn1)OCCF 34a_100012001710_100011217306 [0,2,0,0,0,0|1,0,0]=3 6275 B13R1.74 CC(=O)c1ccc(cn1)OCCF 7a_100012001710_100011217306 [0,2,0,0,0,0|1,0,0]=3 6276 B13R1.74 CC(=O)c1ccc(cn1)OCCO 34a_100012001710_100000211926 [0,2,0,0,0,0|1,0,0]=3 6277 B13R1.74 CC(=O)c1ccc(cn1)OCCO 7a_100012001710_100000211926 [0,2,0,0,0,0|1,0,0]=3 6278 B13R1.74 CC(=O)c1ccc(cn1)SCC#N 62a_100000686046_100011215382 [0,2,0,0,0,0|1,1,0]=4 6279 B13R1.74 CC(=O)c1ccc(cn1)SCC#N 62a_100011215382_100000686046 [0,2,0,0,0,0|1,1,0]=4 6280 B13R1.74 CC(=O)c1ccc(cn1)SCC=O 62a_100000686046_200015260668 [0,2,0,0,0,0|1,1,0]=4 6281 B13R1.74 CC(=O)c1ccc(cn1)SCC=O 62a_200015260668_100000686046 [0,2,0,0,0,0|1,1,0]=4 6282 B13R1.74 CC(=O)c1ccc(cn1)SCCF 62a_100000686046_100011217306 [0,2,0,0,0,0|1,1,0]=4 6283 B13R1.74 CC(=O)c1ccc(cn1)SCCF 62a_100011217306_100000686046 [0,2,0,0,0,0|1,1,0]=4 6284 B13R1.74 CC(=O)c1ccc(cn1)SCCO 62a_100000211926_100000686046 [0,2,0,0,0,0|1,1,0]=4 6285 B13R1.74 CC(=O)c1ccc(cn1)SCCO 62a_100000686046_100000211926 [0,2,0,0,0,0|1,1,0]=4 6286 B13R1.74 CC(=O)c1ccc(nc1)NCCO 27a_100000210304_100000690552 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.74 CC(=O)c1ccc(nc1)SCC#N 62a_100000684857_100011215382 [0,2,0,0,0,0|1,1,0]=4 6288 B13R1.74 CC(=O)c1ccc(nc1)SCC#N 62a_100011215382_100000684857 [0,2,0,0,0,0|1,1,0]=4 6289 B13R1.74 CC(=O)c1ccc(nc1)SCC=O 62a_100000684857_200015260668 [0,2,0,0,0,0|1,1,0]=4 6290 B13R1.74 CC(=O)c1ccc(nc1)SCC=O 62a_200015260668_100000684857 [0,2,0,0,0,0|1,1,0]=4 6291 B13R1.74 CC(=O)c1ccc(nc1)SCCF 62a_100000684857_100011217306 [0,2,0,0,0,0|1,1,0]=4 6292 B13R1.74 CC(=O)c1ccc(nc1)SCCF 62a_100011217306_100000684857 [0,2,0,0,0,0|1,1,0]=4 6293 B13R1.74 CC(=O)c1ccc(nc1)SCCO 62a_100000211926_100000684857 [0,2,0,0,0,0|1,1,0]=4 6294 B13R1.74 CC(=O)c1ccc(nc1)SCCO 62a_100000684857_100000211926 [0,2,0,0,0,0|1,1,0]=4 6295 B13R1.74 CC(C)c1ccc(cc1)COCF 34a_100000181325_100015361967 [0,2,0,0,0,0|1,0,1]=4 6296 B13R1.74 CC(C)c1ccc(cc1)COCF 7a_100000181325_100015361967 [0,2,0,0,0,0|1,0,1]=4 6297 B13R1.74 CC(C)c1ccc(cc1)OCC#N 7a_100000181308_100011215382 [0,2,0,0,0,0|1,0,1]=4 6298 B13R1.74 CC(C)c1ccc(cc1)OCC=O 34a_100000181308_200009817547 [0,2,0,0,0,0|1,0,1]=4 6299 B13R1.74 CC(C)c1ccc(cc1)OCC=O 7a_100000181308_200015260668 [0,2,0,0,0,0|1,0,1]=4 6300 B13R1.74 CC(C)c1ccc(cc1)OCCF 34a_100000181308_100011217306 [0,2,0,0,0,0|1,0,1]=4 6301 B13R1.74 CC(C)c1ccc(cc1)OCCF 7a_100000181308_100011217306 [0,2,0,0,0,0|1,0,1]=4 6302 B13R1.74 CC(C)c1ccc(cc1)OCCO 34a_100000181308_100000211926 [0,2,0,0,0,0|1,0,1]=4 6303 B13R1.74 CC(C)c1ccc(cc1)OCCO 7a_100000181308_100000211926 [0,2,0,0,0,0|1,0,1]=4 6304 B13R1.74 CC(O)c1ccc(cc1)OCC#N 7a_100000754508_100011215382 [0,2,0,0,0,0|0,0,2]=4 6305 B13R1.74 CC(O)c1ccc(cc1)OCC=O 34a_100000754508_200009817547 [0,2,0,0,0,0|0,0,2]=4 6306 B13R1.74 CC(O)c1ccc(cc1)OCC=O 7a_100000754508_200015260668 [0,2,0,0,0,0|0,0,2]=4 6307 B13R1.74 CC(O)c1ccc(cc1)OCCF 34a_100000754508_100011217306 [0,2,0,0,0,0|0,0,2]=4 6308 B13R1.74 CC(O)c1ccc(cc1)OCCF 7a_100000754508_100011217306 [0,2,0,0,0,0|0,0,2]=4 6309 B13R1.74 CC(O)c1ccc(cc1)OCCO 34a_100000754508_100000211926 [0,2,0,0,0,0|0,0,2]=4 6310 B13R1.74 CC(O)c1ccc(cc1)OCCO 7a_100000754508_100000211926 [0,2,0,0,0,0|0,0,2]=4 6311 B13R1.74 CCCCc1ccc(cc1)C(=O)C 1458a_100000186158_200000210301 [0,2,0,0,0,0|1,0,0]=3 6312 B13R1.74 CCCCc1ccc(cc1)C(=O)C 271570a_100020621405_100000185465 [0,2,0,0,0,0|1,0,0]=3 6313 B13R1.74 CCCCc1ccc(cc1)C(=O)N 271570a_100020621405_100000162191 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.74 CCCCc1ccc(cc1)C(=O)[13CH3] 1458a_100000186158_200025704644 [0,2,0,0,0,0|1,0,0]=3 6315 B13R1.74 CCCCc1ccc(cc1)S(=O)C 271570a_100020621405_100009816266 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.74 CCCCc1ccc(cn1)C(=O)C 271570a_100020621405_100000684857 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.74 CCCCc1ccc(nc1)C(=O)C 271570a_100020621405_100000686046 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.74 CCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210303 [0,2,0,0,0,0|2,0,0]=4 6319 B13R1.74 CCCOc1ccc(cc1)C(=O)C 1458a_100000182924_200000210301 [0,2,0,0,0,0|0,0,0]=2 6320 B13R1.74 CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210303 [0,2,0,0,0,0|0,0,0]=2 6321 B13R1.74 CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210303 [0,2,0,0,0,0|0,0,0]=2 6322 B13R1.74 CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210303 [0,2,0,0,0,0|1,0,0]=3 6323 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210303 [0,2,0,0,0,0|1,0,0]=3 6324 B13R1.74 CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182924_200025704644 [0,2,0,0,0,0|0,0,0]=2 6325 B13R1.74 CCCOc1ccc(cc1)C(C)C 34a_100000181308_100000210303 [0,2,0,0,0,0|1,0,1]=4 6326 B13R1.74 CCCOc1ccc(cc1)C(C)C 7a_100000181308_100000210303 [0,2,0,0,0,0|1,0,1]=4 6327 B13R1.74 CCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210303 [0,2,0,0,0,0|0,0,2]=4 6328 B13R1.74 CCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210303 [0,2,0,0,0,0|0,0,2]=4 6329 B13R1.74 CCCOc1ccc(cc1)N(C)C 34a_100000718910_100000210303 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.74 CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210303 [0,2,0,0,0,0|1,0,0]=3 6331 B13R1.74 CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210303 [0,2,0,0,0,0|1,0,0]=3 6332 B13R1.74 CCCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210303 [0,2,0,0,0,0|1,0,1]=4 6333 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210303 [0,2,0,0,0,0|2,0,0]=4 6334 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210303 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210303 [0,2,0,0,0,0|2,0,0]=4 6336 B13R1.74 CCCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210303 [0,2,0,0,0,0|2,0,0]=4 6337 B13R1.74 CCCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210303 [0,2,0,0,0,0|1,0,0]=3 6338 B13R1.74 CCCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210303 [0,2,0,0,0,0|1,0,0]=3 6339 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210303 [0,2,0,0,0,0|0,1,0]=3 6340 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000210303_100000185465 [0,2,0,0,0,0|0,1,0]=3 6341 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210303 [0,2,0,0,0,0|1,1,0]=4 6342 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000210303_100000162191 [0,2,0,0,0,0|1,1,0]=4 6343 B13R1.74 CCCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210303 [0,2,0,0,0,0|1,1,0]=4 6344 B13R1.74 CCCSc1ccc(cn1)C(=O)C 62a_100000210303_100000684857 [0,2,0,0,0,0|1,1,0]=4 6345 B13R1.74 CCCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210303 [0,2,0,0,0,0|1,1,0]=4 6346 B13R1.74 CCCSc1ccc(nc1)C(=O)C 62a_100000210303_100000686046 [0,2,0,0,0,0|1,1,0]=4 6347 B13R1.74 CCCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210303 [0,2,0,0,0,0|1,1,0]=4 6348 B13R1.74 CCNCc1ccc(cc1)C(=O)C 2230a_100015525214_100000756337 [0,2,0,0,0,0|1,0,0]=3 6349 B13R1.74 CCNCc1ccc(cc1)C(=O)N 207a_100015525214_100000038677 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.74 CCNCc1ccc(cc1)C(=O)N 2230a_100015525214_100000231043 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.74 CCNCc1ccc(cc1)C(=O)N 270004a_100015525214_100000038677 [0,2,0,0,0,0|2,0,0]=4 6352 B13R1.74 CCNCc1ccc(cc1)C(=O)O 269956a_100000181780_100000210202 [0,2,0,0,0,0|2,0,0]=4 6353 B13R1.74 CCOCc1ccc(cc1)C(=O)C 34a_100121572206_100000756337 [0,2,0,0,0,0|0,0,0]=2 6354 B13R1.74 CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210202 [0,2,0,0,0,0|0,0,0]=2 6355 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000210202 [0,2,0,0,0,0|1,0,0]=3 6356 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100121572206_100000231043 [0,2,0,0,0,0|1,0,0]=3 6357 B13R1.74 CCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000210202 [0,2,0,0,0,0|1,0,0]=3 6358 B13R1.74 CCOCc1ccc(cc1)C(C)C 34a_100000181325_100000210202 [0,2,0,0,0,0|1,0,1]=4 6359 B13R1.74 CCOCc1ccc(cc1)C(C)C 34a_100121572206_100000181262 [0,2,0,0,0,0|1,0,1]=4 6360 B13R1.74 CCOCc1ccc(cc1)C(C)C 7a_100000181325_100000210202 [0,2,0,0,0,0|1,0,1]=4 6361 B13R1.74 CCOCc1ccc(cc1)N(C)C 34a_100000238745_100000210202 [0,2,0,0,0,0|2,0,0]=4 6362 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210202 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000181861 [0,2,0,0,0,0|2,0,0]=4 6364 B13R1.74 CCSCc1ccc(cc1)C(=O)C 1458a_100000193729_200000210301 [0,2,0,0,0,0|0,1,0]=3 6365 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000210202_100000756337 [0,2,0,0,0,0|0,1,0]=3 6366 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000756337_100000210202 [0,2,0,0,0,0|0,1,0]=3 6367 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000210202_100000231043 [0,2,0,0,0,0|1,1,0]=4 6368 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000231043_100000210202 [0,2,0,0,0,0|1,1,0]=4 6369 B13R1.74 CCSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000193729_200025704644 [0,2,0,0,0,0|0,1,0]=3 6370 B13R1.74 CN(C)c1ccc(cc1)CCO[13CH3] 34a_100011217799_200025704644 [0,2,0,0,0,0|2,0,0]=4 6371 B13R1.74 CN(C)c1ccc(cc1)COCF 34a_100000238745_100015361967 [0,2,0,0,0,0|2,0,0]=4 6372 B13R1.74 CN(C)c1ccc(cc1)OCC=O 34a_100000718910_200009817547 [0,2,0,0,0,0|2,0,0]=4 6373 B13R1.74 CN(C)c1ccc(cc1)OCCF 34a_100000718910_100011217306 [0,2,0,0,0,0|2,0,0]=4 6374 B13R1.74 CN(C)c1ccc(cc1)OCCO 34a_100000718910_100000211926 [0,2,0,0,0,0|2,0,0]=4 6375 B13R1.74 CNCCc1ccc(cc1)C(=O)C 2230a_106832991635_200000038727 [0,2,0,0,0,0|1,0,0]=3 6376 B13R1.74 CNCCc1ccc(cc1)C(=O)C 34a_100102657272_200000038727 [0,2,0,0,0,0|1,0,0]=3 6377 B13R1.74 CNCCc1ccc(cc1)C(=O)C 7a_106832991635_200000038727 [0,2,0,0,0,0|1,0,0]=3 6378 B13R1.74 CNCCc1ccc(cc1)C(=O)O 269956a_100000704756_200000210301 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.74 COCCc1ccc(cc1)C(=O)C 34a_100138415774_200000038727 [0,2,0,0,0,0|0,0,0]=2 6380 B13R1.74 COCCc1ccc(cc1)N(C)C 34a_100011217799_200000210301 [0,2,0,0,0,0|2,0,0]=4 6381 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200000210301 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000736421 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200000210301 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.74 COCNc1ccc(cc1)C(C)C 2230a_100000210773_100000766300 [0,2,0,0,0,0|1,0,1]=4 6385 B13R1.74 COCNc1ccc(cc1)C(C)O 2230a_100011216399_100000766300 [0,2,0,0,0,0|0,0,2]=4 6386 B13R1.74 COCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000766300 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [0,2,0,0,0,0|0,0,0]=2 6388 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [0,2,0,0,0,0|0,0,0]=2 6389 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000185465_100000766300 [0,2,0,0,0,0|0,0,0]=2 6390 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000766300_100000185465 [0,2,0,0,0,0|0,0,0]=2 6391 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000162191_100000766300 [0,2,0,0,0,0|1,0,0]=3 6392 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000766300_100000162191 [0,2,0,0,0,0|1,0,0]=3 6393 B13R1.74 COCSc1ccc(cc1)C(C)C 62a_100000750031_100000766300 [0,2,0,0,0,0|1,0,1]=4 6394 B13R1.74 COCSc1ccc(cc1)C(C)C 62a_100000766300_100000750031 [0,2,0,0,0,0|1,0,1]=4 6395 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000745893_100000766300 [0,2,0,0,0,0|0,0,2]=4 6396 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000766300_100000745893 [0,2,0,0,0,0|0,0,2]=4 6397 B13R1.74 COCSc1ccc(cc1)N(C)C 62a_100000210421_100000766300 [0,2,0,0,0,0|2,0,0]=4 6398 B13R1.74 COCSc1ccc(cc1)N(C)C 62a_100000766300_100000210421 [0,2,0,0,0,0|2,0,0]=4 6399 B13R1.74 COCSc1ccc(cc1)S(=O)C 62a_100009816266_100000766300 [0,2,0,0,0,0|1,0,0]=3 6400 B13R1.74 COCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000766300 [0,2,0,0,0,0|1,0,1]=4 6401 B13R1.74 COCSc1ccc(cc1)[C@@H](C)N 62a_100000766300_100000720352 [0,2,0,0,0,0|1,0,1]=4 6402 B13R1.74 COCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000766300 [0,2,0,0,0,0|1,0,1]=4 6403 B13R1.74 COCSc1ccc(cc1)[C@H](C)N 62a_100000766300_100000753911 [0,2,0,0,0,0|1,0,1]=4 6404 B13R1.74 COCSc1ccc(cn1)C(=O)C 62a_100000684857_100000766300 [0,2,0,0,0,0|1,0,0]=3 6405 B13R1.74 COCSc1ccc(cn1)C(=O)C 62a_100000766300_100000684857 [0,2,0,0,0,0|1,0,0]=3 6406 B13R1.74 COCSc1ccc(cn1)C(=O)N 62a_100000162237_100000766300 [0,2,0,0,0,0|2,0,0]=4 6407 B13R1.74 COCSc1ccc(cn1)C(=O)N 62a_100000766300_100000162237 [0,2,0,0,0,0|2,0,0]=4 6408 B13R1.74 COCSc1ccc(nc1)C(=O)C 62a_100000686046_100000766300 [0,2,0,0,0,0|1,0,0]=3 6409 B13R1.74 COCSc1ccc(nc1)C(=O)C 62a_100000766300_100000686046 [0,2,0,0,0,0|1,0,0]=3 6410 B13R1.74 COCSc1ccc(nc1)C(=O)N 62a_100000766300_100011219284 [0,2,0,0,0,0|2,0,0]=4 6411 B13R1.74 COCSc1ccc(nc1)C(=O)N 62a_100011219284_100000766300 [0,2,0,0,0,0|2,0,0]=4 6412 B13R1.74 COCSc1cnc(cn1)C(=O)C 62a_100000766300_100009883172 [0,2,0,0,0,0|2,0,0]=4 6413 B13R1.74 COCSc1cnc(cn1)C(=O)C 62a_100009883172_100000766300 [0,2,0,0,0,0|2,0,0]=4 6414 B13R1.74 COCSc1cnc(nc1)C(=O)C 62a_100000766300_100010077182 [0,2,0,0,0,0|2,0,0]=4 6415 B13R1.74 COCSc1cnc(nc1)C(=O)C 62a_100010077182_100000766300 [0,2,0,0,0,0|2,0,0]=4 6416 B13R1.74 COCSc1ncc(cn1)C(=O)C 62a_100000099681_100000766300 [0,2,0,0,0,0|2,0,0]=4 6417 B13R1.74 COCSc1ncc(cn1)C(=O)C 62a_100000766300_100000099681 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.74 CS(=O)c1ccc(cc1)OCC#N 7a_200000064373_100011215382 [0,2,0,0,0,0|1,0,0]=3 6419 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 34a_200000064373_200009817547 [0,2,0,0,0,0|1,0,0]=3 6420 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 7a_200000064373_200015260668 [0,2,0,0,0,0|1,0,0]=3 6421 B13R1.74 CS(=O)c1ccc(cc1)OCCF 34a_200000064373_100011217306 [0,2,0,0,0,0|1,0,0]=3 6422 B13R1.74 CS(=O)c1ccc(cc1)OCCF 7a_200000064373_100011217306 [0,2,0,0,0,0|1,0,0]=3 6423 B13R1.74 CS(=O)c1ccc(cc1)OCCO 34a_200000064373_100000211926 [0,2,0,0,0,0|1,0,0]=3 6424 B13R1.74 CS(=O)c1ccc(cc1)OCCO 7a_200000064373_100000211926 [0,2,0,0,0,0|1,0,0]=3 6425 B13R1.74 CS(=O)c1ccc(cc1)SCC#N 62a_100009816266_100011215382 [0,2,0,0,0,0|1,1,0]=4 6426 B13R1.74 CS(=O)c1ccc(cc1)SCC=O 62a_100009816266_200015260668 [0,2,0,0,0,0|1,1,0]=4 6427 B13R1.74 CS(=O)c1ccc(cc1)SCCF 62a_100009816266_100011217306 [0,2,0,0,0,0|1,1,0]=4 6428 B13R1.74 CS(=O)c1ccc(cc1)SCCO 62a_100009816266_100000211926 [0,2,0,0,0,0|1,1,0]=4 6429 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000038727_200000210301 [0,2,0,0,0,0|0,1,0]=3 6430 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000210301_200000038727 [0,2,0,0,0,0|0,1,0]=3 6431 B13R1.74 CSCNc1ccc(cc1)C(=O)N 34a_100000210537_100011218213 [0,2,0,0,0,0|1,1,0]=4 6432 B13R1.74 CSCOc1ccc(cc1)C(=O)C 34a_100000185113_100011218213 [0,2,0,0,0,0|0,0,0]=2 6433 B13R1.74 CSCOc1ccc(cc1)C(=O)N 34a_100000746352_100011218213 [0,2,0,0,0,0|1,0,0]=3 6434 B13R1.74 CSCOc1ccc(cc1)C(C)C 34a_100000181308_100011218213 [0,2,0,0,0,0|1,0,1]=4 6435 B13R1.74 CSCOc1ccc(cc1)C(C)O 34a_100000754508_100011218213 [0,2,0,0,0,0|0,0,2]=4 6436 B13R1.74 CSCOc1ccc(cc1)N(C)C 34a_100000718910_100011218213 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.74 CSCOc1ccc(cc1)S(=O)C 34a_200000064373_100011218213 [0,2,0,0,0,0|1,0,0]=3 6438 B13R1.74 CSCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100011218213 [0,2,0,0,0,0|1,0,1]=4 6439 B13R1.74 CSCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011218213 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.74 CSCOc1ccc(cc1)[S+](C)C 34a_100010188728_100011218213 [0,2,0,0,0,0|2,0,0]=4 6441 B13R1.74 CSCOc1ccc(nc1)C(=O)C 34a_100012001710_100011218213 [0,2,0,0,0,0|1,0,0]=3 6442 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100000185465_100011218213 [0,2,0,0,0,0|0,1,0]=3 6443 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100011218213_100000185465 [0,2,0,0,0,0|0,1,0]=3 6444 B13R1.74 CSCSc1ccc(cc1)C(=O)N 62a_100000162191_100011218213 [0,2,0,0,0,0|1,1,0]=4 6445 B13R1.74 CSCSc1ccc(cc1)C(=O)N 62a_100011218213_100000162191 [0,2,0,0,0,0|1,1,0]=4 6446 B13R1.74 CSCSc1ccc(cc1)S(=O)C 62a_100009816266_100011218213 [0,2,0,0,0,0|1,1,0]=4 6447 B13R1.74 CSCSc1ccc(cn1)C(=O)C 62a_100000684857_100011218213 [0,2,0,0,0,0|1,1,0]=4 6448 B13R1.74 CSCSc1ccc(cn1)C(=O)C 62a_100011218213_100000684857 [0,2,0,0,0,0|1,1,0]=4 6449 B13R1.74 CSCSc1ccc(nc1)C(=O)C 62a_100000686046_100011218213 [0,2,0,0,0,0|1,1,0]=4 6450 B13R1.74 CSCSc1ccc(nc1)C(=O)C 62a_100011218213_100000686046 [0,2,0,0,0,0|1,1,0]=4 6451 B13R1.74 C[C@H](N)c1ccc(cc1)OCC=O 34a_100161106496_200009817547 [0,2,0,0,0,0|1,0,1]=4 6452 B13R1.74 C[C@H](N)c1ccc(cc1)OCCF 34a_100161106496_100011217306 [0,2,0,0,0,0|1,0,1]=4 6453 B13R1.74 C[C@H](N)c1ccc(cc1)OCCO 34a_100161106496_100000211926 [0,2,0,0,0,0|1,0,1]=4 6454 B13R1.74 C[S+](C)c1ccc(cc1)OCC#N 7a_100010188728_100011215382 [0,2,0,0,0,0|2,0,0]=4 6455 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 34a_100010188728_200009817547 [0,2,0,0,0,0|2,0,0]=4 6456 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 7a_100010188728_200015260668 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 34a_100010188728_100011217306 [0,2,0,0,0,0|2,0,0]=4 6458 B13R1.74 C[S+](C)c1ccc(cc1)OCCF 7a_100010188728_100011217306 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 34a_100010188728_100000211926 [0,2,0,0,0,0|2,0,0]=4 6460 B13R1.74 C[S+](C)c1ccc(cc1)OCCO 7a_100010188728_100000211926 [0,2,0,0,0,0|2,0,0]=4 6461 B13R1.74 N#CCOc1ccc(cc1)C(=O)N 7a_100000746352_100011215382 [0,2,0,0,0,0|1,0,0]=3 6462 B13R1.74 N#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215382 [0,2,0,0,0,0|2,0,0]=4 6463 B13R1.74 N#CCSc1ccc(cc1)C(=O)N 62a_100000162191_100011215382 [0,2,0,0,0,0|1,1,0]=4 6464 B13R1.74 N#CCSc1ccc(cc1)C(=O)N 62a_100011215382_100000162191 [0,2,0,0,0,0|1,1,0]=4 6465 B13R1.74 NC(=O)c1ccc(cc1)COCF 34a_100000162016_100015361967 [0,2,0,0,0,0|1,0,0]=3 6466 B13R1.74 NC(=O)c1ccc(cc1)COCF 7a_100000162016_100015361967 [0,2,0,0,0,0|1,0,0]=3 6467 B13R1.74 NC(=O)c1ccc(cc1)CSCF 62a_100000231043_100015361967 [0,2,0,0,0,0|1,1,0]=4 6468 B13R1.74 NC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000231043 [0,2,0,0,0,0|1,1,0]=4 6469 B13R1.74 NC(=O)c1ccc(cc1)NCC=O 34a_100000210537_200009817547 [0,2,0,0,0,0|2,0,0]=4 6470 B13R1.74 NC(=O)c1ccc(cc1)NCCF 34a_100000210537_100011217306 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.74 NC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000162191 [0,2,0,0,0,0|2,0,0]=4 6472 B13R1.74 NC(=O)c1ccc(cc1)NCCO 34a_100000210537_100000211926 [0,2,0,0,0,0|2,0,0]=4 6473 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 34a_100000746352_200009817547 [0,2,0,0,0,0|1,0,0]=3 6474 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 7a_100000746352_200015260668 [0,2,0,0,0,0|1,0,0]=3 6475 B13R1.74 NC(=O)c1ccc(cc1)OCCF 34a_100000746352_100011217306 [0,2,0,0,0,0|1,0,0]=3 6476 B13R1.74 NC(=O)c1ccc(cc1)OCCF 7a_100000746352_100011217306 [0,2,0,0,0,0|1,0,0]=3 6477 B13R1.74 NC(=O)c1ccc(cc1)OCCO 34a_100000746352_100000211926 [0,2,0,0,0,0|1,0,0]=3 6478 B13R1.74 NC(=O)c1ccc(cc1)OCCO 7a_100000746352_100000211926 [0,2,0,0,0,0|1,0,0]=3 6479 B13R1.74 NC(=O)c1ccc(cc1)SCC=O 62a_100000162191_200015260668 [0,2,0,0,0,0|1,1,0]=4 6480 B13R1.74 NC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000162191 [0,2,0,0,0,0|1,1,0]=4 6481 B13R1.74 NC(=O)c1ccc(cc1)SCCF 62a_100000162191_100011217306 [0,2,0,0,0,0|1,1,0]=4 6482 B13R1.74 NC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000162191 [0,2,0,0,0,0|1,1,0]=4 6483 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000162191_100000211926 [0,2,0,0,0,0|1,1,0]=4 6484 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000162191 [0,2,0,0,0,0|1,1,0]=4 6485 B13R1.74 O=C(O)c1ccc(cc1)CNCF 269956a_100000181780_100015361967 [0,2,0,0,0,0|2,0,0]=4 6486 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200009817547 [0,2,0,0,0,0|2,0,0]=4 6487 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200015260668 [0,2,0,0,0,0|2,0,0]=4 6488 B13R1.74 O=[N+]([O-])c1ccc(cc1)COCF 34a_100000211695_100015361967 [0,2,0,0,0,0|2,0,0]=4 6489 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 34a_100000185810_100011217306 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 7a_100000185810_100011217306 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 34a_100000185810_100000211926 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 7a_100000185810_100000211926 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|0,0,0]=2 6494 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|0,1,0]=3 6495 B13R1.74 [13CH3]NCCc1ccc(cc1)C(=O)O 269956a_100000704756_200025704644 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200025704644 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200025704644 [0,2,0,0,0,0|2,0,0]=4 6498 B13R1.385 C=C(C)c1ccc(cc1C)NCC 271570a_100000694244_100015183089 [0,2,0,0,0,0|2,0,0]=4 6499 B13R1.385 C=C(C)c1ccc(cc1C)OCC 271570a_100000694244_100012344538 [0,2,0,0,0,0|1,0,0]=3 6500 B13R1.385 C=C(C)c1ccc(cc1F)CCC 271570a_100000694244_200010686677 [0,2,0,0,0,0|2,0,0]=4 6501 B13R1.385 C=C(C)c1ccc(cc1F)CCO 271570a_100000694244_100012921202 [0,2,0,0,0,0|2,0,0]=4 6502 B13R1.385 C=C(C)c1ccc(cc1F)COC 271570a_100000694244_100010177442 [0,2,0,0,0,0|1,0,0]=3 6503 B13R1.385 C=C(C)c1ccc(cc1F)OCC 271570a_100000694244_100000692347 [0,2,0,0,0,0|1,0,0]=3 6504 B13R1.385 C=C(C)c1ccc(cc1N)COC 271570a_100000694244_200013033220 [0,2,0,0,0,0|1,0,0]=3 6505 B13R1.385 C=C(C)c1cnc(cc1C)OCC 271570a_100000694244_200012351029 [0,2,0,0,0,0|2,0,0]=4 6506 B13R1.385 C=C=Cc1ccc(c(c1)C)C(=O)C 271570a_100015277604_100012360112 [0,2,0,0,0,0|1,0,1]=4 6507 B13R1.385 C=C=Cc1ccc(c(c1)F)C(=O)C 271570a_100015277604_100000690205 [0,2,0,0,0,0|1,0,1]=4 6508 B13R1.385 C=C=Cc1ccc(c(c1)N)C(=O)C 271570a_100015277604_100011590516 [0,2,0,0,0,0|1,0,1]=4 6509 B13R1.385 C=C=Cc1ccc(c(c1)O)C(=O)C 271570a_100015277604_100000188348 [0,2,0,0,0,0|1,0,1]=4 6510 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 34a_100012340537_100015361967 [0,2,0,0,0,0|0,0,0]=2 6511 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 7a_100012340537_100015361967 [0,2,0,0,0,0|0,0,0]=2 6512 B13R1.385 CC(=O)c1ccc(cc1C)OCF 34a_100000702595_100015361967 [0,2,0,0,0,0|0,0,0]=2 6513 B13R1.385 CC(=O)c1ccc(cc1C)OCF 7a_100000702595_100015361967 [0,2,0,0,0,0|0,0,0]=2 6514 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100012360112_100015361967 [0,2,0,0,0,0|0,1,0]=3 6515 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100015361967_100012360112 [0,2,0,0,0,0|0,1,0]=3 6516 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 34a_100011933989_100015361967 [0,2,0,0,0,0|0,0,0]=2 6517 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 7a_100011933989_100015361967 [0,2,0,0,0,0|0,0,0]=2 6518 B13R1.385 CC(=O)c1ccc(cc1F)OCF 34a_100000752407_100015361967 [0,2,0,0,0,0|0,0,0]=2 6519 B13R1.385 CC(=O)c1ccc(cc1F)OCF 7a_100000752407_100015361967 [0,2,0,0,0,0|0,0,0]=2 6520 B13R1.385 CC(=O)c1ccc(cc1F)SCF 62a_100000690205_100015361967 [0,2,0,0,0,0|0,1,0]=3 6521 B13R1.385 CC(=O)c1ccc(cc1N)SCF 62a_100011590516_100015361967 [0,2,0,0,0,0|0,1,0]=3 6522 B13R1.385 CC(=O)c1ncc(cc1F)SCF 62a_100000696590_100015361967 [0,2,0,0,0,0|1,1,0]=4 6523 B13R1.385 CC(=O)c1ncc(cc1F)SCF 62a_100015361967_100000696590 [0,2,0,0,0,0|1,1,0]=4 6524 B13R1.385 CC=Cc1ccc(c(c1)Br)C(=O)N 271570a_100016259895_200010146565 [0,2,0,0,0,0|2,0,0]=4 6525 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)C 271570a_100016259895_100012360112 [0,2,0,0,0,0|1,0,0]=3 6526 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)N 271570a_100016259895_100011327924 [0,2,0,0,0,0|2,0,0]=4 6527 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)C 271570a_100016259895_100000690205 [0,2,0,0,0,0|1,0,0]=3 6528 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)N 271570a_100016259895_100000216903 [0,2,0,0,0,0|2,0,0]=4 6529 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)C 271570a_100016259895_100011590516 [0,2,0,0,0,0|1,0,0]=3 6530 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)N 271570a_100016259895_100012349972 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)C 271570a_100016259895_100000188348 [0,2,0,0,0,0|1,0,0]=3 6532 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)N 271570a_100016259895_100011550861 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.385 CC=Cc1cnc(c(c1)F)C(=O)C 271570a_100016259895_100000696590 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)N 27a_100015525214_200010146565 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 27a_100015525214_100011327924 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 34a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 7a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C 27a_100015525214_100000690205 [0,2,0,0,0,0|1,0,0]=3 6541 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 27a_100015525214_100000216903 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 34a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 7a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 34a_100000223280_100000210202 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 7a_100000223280_100000210202 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210202 [0,2,0,0,0,0|0,0,0]=2 6547 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210202 [0,2,0,0,0,0|0,0,0]=2 6548 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210202 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210202 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 1458a_200012183785_200000210301 [0,2,0,0,0,0|0,0,0]=2 6551 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210202 [0,2,0,0,0,0|0,0,0]=2 6552 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210202 [0,2,0,0,0,0|0,0,0]=2 6553 B13R1.385 CCOc1ccc(c(c1)C)C(=O)[13CH3] 1458a_200012183785_200025704644 [0,2,0,0,0,0|0,0,0]=2 6554 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 34a_100000210824_100000210202 [0,2,0,0,0,0|1,0,1]=4 6555 B13R1.385 CCOc1ccc(c(c1)C)C(C)C 7a_100000210824_100000210202 [0,2,0,0,0,0|1,0,1]=4 6556 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000210202 [0,2,0,0,0,0|2,0,0]=4 6557 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000210202 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210202 [0,2,0,0,0,0|0,0,0]=2 6559 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210202 [0,2,0,0,0,0|0,0,0]=2 6560 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210202 [0,2,0,0,0,0|1,0,0]=3 6561 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210202 [0,2,0,0,0,0|1,0,0]=3 6562 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210202 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210202 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 1458a_100012184274_200000210301 [0,2,0,0,0,0|0,0,0]=2 6565 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210202 [0,2,0,0,0,0|0,0,0]=2 6566 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210202 [0,2,0,0,0,0|0,0,0]=2 6567 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210202 [0,2,0,0,0,0|1,0,0]=3 6568 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210202 [0,2,0,0,0,0|1,0,0]=3 6569 B13R1.385 CCOc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012184274_200025704644 [0,2,0,0,0,0|0,0,0]=2 6570 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210202 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.385 CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210202 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210202 [0,2,0,0,0,0|1,0,0]=3 6573 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210202 [0,2,0,0,0,0|1,0,0]=3 6574 B13R1.385 CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210202 [0,2,0,0,0,0|2,0,0]=4 6575 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C 1458a_200000049073_200000210301 [0,2,0,0,0,0|0,0,0]=2 6576 B13R1.385 CCOc1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000049073_200025704644 [0,2,0,0,0,0|0,0,0]=2 6577 B13R1.385 CCSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_100000210202 [0,2,0,0,0,0|1,1,0]=4 6578 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100000210202_100012360112 [0,2,0,0,0,0|0,1,0]=3 6579 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100012360112_100000210202 [0,2,0,0,0,0|0,1,0]=3 6580 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100000210202_100011327924 [0,2,0,0,0,0|1,1,0]=4 6581 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100011327924_100000210202 [0,2,0,0,0,0|1,1,0]=4 6582 B13R1.385 CCSc1ccc(c(c1)F)C(=O)C 62a_100000690205_100000210202 [0,2,0,0,0,0|0,1,0]=3 6583 B13R1.385 CCSc1ccc(c(c1)F)C(=O)N 62a_100000216903_100000210202 [0,2,0,0,0,0|1,1,0]=4 6584 B13R1.385 CCSc1ccc(c(c1)N)C(=O)C 62a_100011590516_100000210202 [0,2,0,0,0,0|0,1,0]=3 6585 B13R1.385 CCSc1ccc(c(c1)N)C(=O)N 62a_100012349972_100000210202 [0,2,0,0,0,0|1,1,0]=4 6586 B13R1.385 CCSc1ccc(c(c1)O)C(=O)N 62a_100011550861_100000210202 [0,2,0,0,0,0|1,1,0]=4 6587 B13R1.385 CCSc1cnc(c(c1)F)C(=O)C 62a_100000210202_100000696590 [0,2,0,0,0,0|1,1,0]=4 6588 B13R1.385 CCSc1cnc(c(c1)F)C(=O)C 62a_100000696590_100000210202 [0,2,0,0,0,0|1,1,0]=4 6589 B13R1.385 CNCc1ccc(c(c1)Br)C(=O)C 26a_100102657272_100012340537 [0,2,0,0,0,0|1,0,0]=3 6590 B13R1.385 CNCc1ccc(c(c1)Cl)C(=O)C 26a_100102657272_100011933989 [0,2,0,0,0,0|1,0,0]=3 6591 B13R1.385 COCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100138415774_100009816690 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.385 COCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_200000210301 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.385 COCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100138415774_100000687068 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.385 COCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_200000210301 [0,2,0,0,0,0|2,0,0]=4 6595 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 34a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 6596 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 7a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 6597 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100011327924_100015361967 [0,2,0,0,0,0|1,1,0]=4 6598 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100015361967_100011327924 [0,2,0,0,0,0|1,1,0]=4 6599 B13R1.385 Cc1cc(ccc1C(C)C)OCF 34a_100000210824_100015361967 [0,2,0,0,0,0|1,0,1]=4 6600 B13R1.385 Cc1cc(ccc1C(C)C)OCF 7a_100000210824_100015361967 [0,2,0,0,0,0|1,0,1]=4 6601 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])CO[13CH3] 7a_100000032365_200025704644 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF 34a_100000195451_100015361967 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF 7a_100000195451_100015361967 [0,2,0,0,0,0|2,0,0]=4 6604 B13R1.385 NC(=O)c1ccc(cc1Br)SCF 62a_200010146565_100015361967 [0,2,0,0,0,0|1,1,0]=4 6605 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 34a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 6606 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 7a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 6607 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 34a_100011997949_100015361967 [0,2,0,0,0,0|1,0,0]=3 6608 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 7a_100011997949_100015361967 [0,2,0,0,0,0|1,0,0]=3 6609 B13R1.385 NC(=O)c1ccc(cc1F)NCF 34a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 6610 B13R1.385 NC(=O)c1ccc(cc1F)NCF 7a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 6611 B13R1.385 NC(=O)c1ccc(cc1F)OCF 34a_200012186767_100015361967 [0,2,0,0,0,0|1,0,0]=3 6612 B13R1.385 NC(=O)c1ccc(cc1F)OCF 7a_200012186767_100015361967 [0,2,0,0,0,0|1,0,0]=3 6613 B13R1.385 NC(=O)c1ccc(cc1F)SCF 62a_100000216903_100015361967 [0,2,0,0,0,0|1,1,0]=4 6614 B13R1.385 NC(=O)c1ccc(cc1N)OCF 34a_100012186684_100015361967 [0,2,0,0,0,0|1,0,0]=3 6615 B13R1.385 NC(=O)c1ccc(cc1N)OCF 7a_100012186684_100015361967 [0,2,0,0,0,0|1,0,0]=3 6616 B13R1.385 NC(=O)c1ccc(cc1N)SCF 62a_100012349972_100015361967 [0,2,0,0,0,0|1,1,0]=4 6617 B13R1.385 NC(=O)c1ccc(cc1O)NCF 34a_100000223280_100015361967 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.385 NC(=O)c1ccc(cc1O)NCF 7a_100000223280_100015361967 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.385 NC(=O)c1ccc(cc1O)SCF 62a_100011550861_100015361967 [0,2,0,0,0,0|1,1,0]=4 6620 B13R1.385 Nc1cc(ccc1[N+](=O)[O-])OCF 7a_100000729835_100015361967 [0,2,0,0,0,0|2,0,0]=4 6621 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF 34a_100012356988_100015361967 [0,2,0,0,0,0|2,0,0]=4 6622 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF 7a_100012356988_100015361967 [0,2,0,0,0,0|2,0,0]=4 6623 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 34a_100000746235_100015361967 [0,2,0,0,0,0|2,0,0]=4 6624 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 7a_100000746235_100015361967 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.385 O=[N+]([O-])c1ccc(cc1F)OCF 7a_100000745333_100015361967 [0,2,0,0,0,0|2,0,0]=4 6626 B13R1.385 O=[N+]([O-])c1ccc(cc1I)OCF 7a_100010243554_100015361967 [0,2,0,0,0,0|2,0,0]=4 6627 B13R1.385 [13CH3]OCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_200025704644 [0,2,0,0,0,0|2,0,0]=4 6628 B13R1.99 C=C(C)c1ccc(cc1C#N)OC 271570a_100000694244_100000748272 [0,2,0,0,0,0|1,0,0]=3 6629 B13R1.99 C=C(C)c1ccc(cc1C=O)OC 271570a_100000694244_100000691568 [0,2,0,0,0,0|1,0,0]=3 6630 B13R1.99 C=C(C)c1ccc(cc1CC)OC 271570a_100000694244_100000720562 [0,2,0,0,0,0|1,0,0]=3 6631 B13R1.99 C=C(C)c1ccc(cc1CN)OC 271570a_100000694244_100000741592 [0,2,0,0,0,0|1,0,0]=3 6632 B13R1.99 C=C(C)c1ccc(cc1CO)OC 271570a_100000694244_200011273942 [0,2,0,0,0,0|1,0,0]=3 6633 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.99 C=C(C)c1ccc(cc1OC)OC 271570a_100000694244_100000750026 [0,2,0,0,0,0|1,0,0]=3 6635 B13R1.99 C=C(C)c1ccc(nc1C#N)OC 271570a_100000694244_200010187624 [0,2,0,0,0,0|2,0,0]=4 6636 B13R1.99 C=C(C)c1ccc(nc1C=O)OC 271570a_100000694244_200010173843 [0,2,0,0,0,0|2,0,0]=4 6637 B13R1.99 C=C(C)c1ccc(nc1CO)OC 271570a_100000694244_100010069746 [0,2,0,0,0,0|2,0,0]=4 6638 B13R1.99 C=C(C)c1ccc(nc1OC)OC 271570a_100000694244_100009816055 [0,2,0,0,0,0|2,0,0]=4 6639 B13R1.99 C=C(C)c1cnc(cc1C=O)OC 271570a_100000694244_100010171658 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.99 C=C(C)c1cnc(cc1CO)OC 271570a_100000694244_100012343675 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.99 C=C(C)c1cnc(cc1OC)OC 271570a_100000694244_100010191559 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.99 C=Cc1cc(ccc1C(=O)C)OC 271570a_100011290941_100000697255 [0,2,0,0,0,0|0,0,0]=2 6643 B13R1.99 C=Cc1cc(ccc1C(=O)N)OC 271570a_100011290941_200009815664 [0,2,0,0,0,0|1,0,0]=3 6644 B13R1.99 C=Cc1cc(ccc1C(C)O)OC 271570a_100011290941_100000697252 [0,2,0,0,0,0|0,0,2]=4 6645 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,2,0,0,0,0|1,0,1]=4 6646 B13R1.99 CNc1cc(ccc1C(C)C)OC 2230a_100009963057_200000210301 [0,2,0,0,0,0|1,0,1]=4 6647 B13R1.99 CNc1cc(ccc1C(C)C)OC 34a_100009963057_200000210301 [0,2,0,0,0,0|1,0,1]=4 6648 B13R1.99 CNc1cc(ccc1C(C)C)OC 7a_100009963057_200000210301 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.99 COc1cc(ccc1C(=O)C)C#N 1458a_100012002740_200000210301 [0,2,0,0,0,0|2,0,0]=4 6650 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,2,0,0,0,0|0,0,0]=2 6651 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,2,0,0,0,0|0,0,0]=2 6652 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [0,2,0,0,0,0|0,1,0]=3 6653 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [0,2,0,0,0,0|0,1,0]=3 6654 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [0,2,0,0,0,0|0,1,0]=3 6655 B13R1.99 COc1cc(ccc1C(=O)N)SC 62a_100000748320_200000210301 [0,2,0,0,0,0|1,1,0]=4 6656 B13R1.99 COc1cc(ccc1C(=O)N)S[13CH3] 62a_100000748320_200025704644 [0,2,0,0,0,0|1,1,0]=4 6657 B13R1.99 COc1cc(ccc1C(=O)[13CH3])C#N 1458a_100012002740_200025704644 [0,2,0,0,0,0|2,0,0]=4 6658 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [0,2,0,0,0,0|0,1,0]=3 6659 B13R1.99 COc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000723347_200025704644 [0,2,0,0,0,0|2,0,0]=4 6660 B13R1.99 COc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000723347_200025704644 [0,2,0,0,0,0|2,0,0]=4 6661 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_100010137934_200000210301 [0,2,0,0,0,0|1,1,0]=4 6662 B13R1.99 COc1cc(cnc1C(=O)C)SC 62a_200000210301_100010137934 [0,2,0,0,0,0|1,1,0]=4 6663 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_100010137934_200025704644 [0,2,0,0,0,0|1,1,0]=4 6664 B13R1.99 COc1cc(cnc1C(=O)C)S[13CH3] 62a_200025704644_100010137934 [0,2,0,0,0,0|1,1,0]=4 6665 B13R1.99 COc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_200000210301 [0,2,0,0,0,0|2,0,0]=4 6666 B13R1.99 COc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_200000210301 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 2230a_100009963057_200025704644 [0,2,0,0,0,0|1,0,1]=4 6668 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 34a_100009963057_200025704644 [0,2,0,0,0,0|1,0,1]=4 6669 B13R1.99 COc1ccc(c(c1)N[13CH3])C(C)C 7a_100009963057_200025704644 [0,2,0,0,0,0|1,0,1]=4 6670 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,2,0,0,0,0|0,0,0]=2 6671 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,2,0,0,0,0|0,0,0]=2 6672 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,2,0,0,0,0|0,0,0]=2 6673 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,2,0,0,0,0|0,0,0]=2 6674 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,2,0,0,0,0|0,0,0]=2 6675 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 34a_100000185031_200000210301 [0,2,0,0,0,0|1,0,0]=3 6676 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 7a_100000185031_200000210301 [0,2,0,0,0,0|1,0,0]=3 6677 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,2,0,0,0,0|0,0,0]=2 6678 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_200000210301 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100011219805_200000210301 [0,2,0,0,0,0|2,0,0]=4 6680 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_200000210301 [0,2,0,0,0,0|2,0,0]=4 6681 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100011219805_200000210301 [0,2,0,0,0,0|2,0,0]=4 6682 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,2,0,0,0,0|0,0,0]=2 6683 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,2,0,0,0,0|0,0,0]=2 6684 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000185031_200025704644 [0,2,0,0,0,0|1,0,0]=3 6685 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000185031_200025704644 [0,2,0,0,0,0|1,0,0]=3 6686 B13R1.99 COc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100011219805_200025704644 [0,2,0,0,0,0|2,0,0]=4 6687 B13R1.99 COc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100011219805_200025704644 [0,2,0,0,0,0|2,0,0]=4 6688 B13R1.99 COc1ccc(c(c1)SC)C(=O)C 62a_100000697255_200000210301 [0,2,0,0,0,0|0,0,0]=2 6689 B13R1.99 COc1ccc(c(c1)SC)C(=O)N 62a_200009815664_200000210301 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.99 COc1ccc(c(c1)SC)C(C)O 62a_100000697252_200000210301 [0,2,0,0,0,0|0,0,2]=4 6691 B13R1.99 COc1ccc(c(c1)SC)C(C)O 62a_200000210301_100000697252 [0,2,0,0,0,0|0,0,2]=4 6692 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)C 62a_100000697255_200025704644 [0,2,0,0,0,0|0,0,0]=2 6693 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)N 62a_200009815664_200025704644 [0,2,0,0,0,0|1,0,0]=3 6694 B13R1.99 COc1ccc(c(c1)S[13CH3])C(C)O 62a_100000697252_200025704644 [0,2,0,0,0,0|0,0,2]=4 6695 B13R1.99 COc1ccc(c(c1)S[13CH3])C(C)O 62a_200025704644_100000697252 [0,2,0,0,0,0|0,0,2]=4 6696 B13R1.99 [13CH3]Oc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_200025704644 [0,2,0,0,0,0|2,0,0]=4 6697 B13R1.99 [13CH3]Oc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_200025704644 [0,2,0,0,0,0|2,0,0]=4 6698 B13R1.428 C=C(C)c1c(cc(cc1C)OC)C 271570a_100000694244_100012160682 [0,2,0,0,0,0|1,0,0]=3 6699 B13R1.428 C=C(C)c1c(cc(cc1F)CC)F 271570a_100000694244_200160481119 [0,2,0,0,0,0|2,0,0]=4 6700 B13R1.428 C=C(C)c1c(cc(cc1F)OC)F 271570a_100000694244_100011218311 [0,2,0,0,0,0|1,0,0]=3 6701 B13R1.428 C=Cc1cc(c(c(c1)F)C(=O)C)F 271570a_100011290941_100012706838 [0,2,0,0,0,0|1,0,1]=4 6702 B13R1.428 C=Cc1cc(c(c(c1)F)C(=O)C)O 271570a_100011290941_100010734142 [0,2,0,0,0,0|1,0,1]=4 6703 B13R1.428 CC(=O)c1c(cc(cc1Cl)C#N)F 1458a_100010444982_200000210301 [0,2,0,0,0,0|2,0,0]=4 6704 B13R1.428 CC(=O)c1c(cc(cc1F)C#N)F 1458a_100000686087_200000210301 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])F 62a_100012706838_200025704644 [0,2,0,0,0,0|0,1,0]=3 6706 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])F 62a_200025704644_100012706838 [0,2,0,0,0,0|0,1,0]=3 6707 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])O 62a_200025704644_100010734142 [0,2,0,0,0,0|0,1,0]=3 6708 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)C 27a_100102657272_100016096366 [0,2,0,0,0,0|2,0,0]=4 6709 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)F 27a_100102657272_100000695656 [0,2,0,0,0,0|2,0,0]=4 6710 B13R1.428 COc1cc(c(c(c1)C)C(=O)C)C 1458a_100000077298_200000210301 [0,2,0,0,0,0|0,0,0]=2 6711 B13R1.428 COc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000077298_200025704644 [0,2,0,0,0,0|0,0,0]=2 6712 B13R1.428 COc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_200000210301 [0,2,0,0,0,0|2,0,0]=4 6713 B13R1.428 COc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_200000210301 [0,2,0,0,0,0|2,0,0]=4 6714 B13R1.428 COc1cc(c(c(c1)F)C(=O)C)F 1458a_100011216705_200000210301 [0,2,0,0,0,0|0,0,0]=2 6715 B13R1.428 COc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100011216705_200025704644 [0,2,0,0,0,0|0,0,0]=2 6716 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)F 62a_100012706838_200000210301 [0,2,0,0,0,0|0,1,0]=3 6717 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)F 62a_200000210301_100012706838 [0,2,0,0,0,0|0,1,0]=3 6718 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)O 62a_200000210301_100010734142 [0,2,0,0,0,0|0,1,0]=3 6719 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)C 62a_100016096366_200000210301 [0,2,0,0,0,0|1,1,0]=4 6720 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)C 62a_200000210301_100016096366 [0,2,0,0,0,0|1,1,0]=4 6721 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)F 62a_100000695656_200000210301 [0,2,0,0,0,0|1,1,0]=4 6722 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)F 62a_200000210301_100000695656 [0,2,0,0,0,0|1,1,0]=4 6723 B13R1.428 Cc1cc(cc(c1C(=O)N)F)S[13CH3] 62a_100016096366_200025704644 [0,2,0,0,0,0|1,1,0]=4 6724 B13R1.428 Cc1cc(cc(c1C(=O)N)F)S[13CH3] 62a_200025704644_100016096366 [0,2,0,0,0,0|1,1,0]=4 6725 B13R1.428 Cc1cc(cc(c1[N+](=O)[O-])C)O[13CH3] 34a_100012186654_200025704644 [0,2,0,0,0,0|2,0,0]=4 6726 B13R1.428 Cc1cc(cc(c1[N+](=O)[O-])C)O[13CH3] 7a_100012186654_200025704644 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.428 [13CH3]C(=O)c1c(cc(cc1Cl)C#N)F 1458a_100010444982_200025704644 [0,2,0,0,0,0|2,0,0]=4 6728 B13R1.428 [13CH3]C(=O)c1c(cc(cc1F)C#N)F 1458a_100000686087_200025704644 [0,2,0,0,0,0|2,0,0]=4 6729 B13R1.428 [13CH3]Sc1cc(c(c(c1)F)C(=O)N)F 62a_100000695656_200025704644 [0,2,0,0,0,0|1,1,0]=4 6730 B13R1.428 [13CH3]Sc1cc(c(c(c1)F)C(=O)N)F 62a_200025704644_100000695656 [0,2,0,0,0,0|1,1,0]=4 6731 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,0,1,1,0,0|2,0,0]=4 6732 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,0,1,1,0,0|1,0,1]=4 6733 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,0,1,1,0,0|2,0,0]=4 6734 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,0,1,1,0,0|2,0,0]=4 6735 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,0,1,1,0,0|2,0,0]=4 6736 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,0,1,1,0,0|2,0,0]=4 6737 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,0,1,1,0,0|2,0,0]=4 6738 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,0,1,1,0,0|1,0,1]=4 6739 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,0,1,1,0,0|2,0,0]=4 6740 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,0,1,1,0,0|2,0,0]=4 6741 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,0,1,1,0,0|2,0,0]=4 6742 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,0,1,1,0,0|2,0,0]=4 6743 B11R1.180 COCC=Cc1ccsc1C 271570a_100016286323_100000684487 [0,0,1,1,0,0|0,1,1]=4 6744 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|1,0,1]=4 6745 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [1,0,0,1,0,0|0,1,1]=4 6746 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [1,0,0,1,0,0|0,1,1]=4 6747 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [1,0,0,1,0,0|0,1,1]=4 6748 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [1,0,0,1,0,0|0,1,1]=4 6749 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|1,0,1]=4 6750 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|1,0,1]=4 6751 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|1,0,1]=4 6752 B13R2.184 COc1ccc(cc1)NC2CC2 34a_100000184247_100000211595 [0,0,0,1,0,1|1,0,1]=4 6753 B13R2.184 COc1ccc(cc1)OC2CC2 34a_100000210503_100000211595 [0,0,0,1,0,1|1,0,1]=4 6754 B13R2.1279 CC(=Cc1ccc2c(c1)CC2)C 271570a_100102525489_100009818592 [0,0,0,1,0,1|2,0,0]=4 6755 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)C2 271570a_100011290941_100010185598 [0,0,0,1,0,1|1,0,1]=4 6756 B13R2.2121 C=Cc1ccc2c(c1)CC(=O)N2 271570a_100011290941_100000754858 [0,0,0,1,0,1|1,0,1]=4 6757 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,0,0,1,0,1|1,0,1]=4 6758 B13R2.2121 CNc1ccc2oc(nc2c1)C 34a_100000195416_200000210301 [0,0,0,1,0,1|2,0,0]=4 6759 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,0,0,1,0,1|1,0,0]=3 6760 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,0,0,1,0,1|1,0,0]=3 6761 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,0,0,1,0,1|1,0,0]=3 6762 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,0,0,1,0,1|0,0,0]=2 6763 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,0,0,1,0,1|0,0,0]=2 6764 B13R2.2121 COc1ccc2c(c1)CN(C2)C 269982a_100000051402_200000210301 [0,0,0,1,0,1|2,0,0]=4 6765 B13R2.2121 COc1ccc2c(c1)CN(C2)C 34a_100000051402_200000210301 [0,0,0,1,0,1|2,0,0]=4 6766 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 269982a_100000051402_200025704644 [0,0,0,1,0,1|2,0,0]=4 6767 B13R2.2121 COc1ccc2c(c1)CN(C2)[13CH3] 34a_100000051402_200025704644 [0,0,0,1,0,1|2,0,0]=4 6768 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,0,0,1,0,1|1,0,0]=3 6769 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,0,0,1,0,1|0,0,1]=3 6770 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,0,0,1,0,1|0,0,1]=3 6771 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,0,0,1,0,1|0,0,1]=3 6772 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,0,0,1,0,1|0,0,1]=3 6773 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,0,0,1,0,1|1,1,0]=4 6774 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,0,0,1,0,1|0,1,0]=3 6775 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,0,0,1,0,1|0,1,0]=3 6776 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,0,0,1,0,1|1,1,0]=4 6777 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,0,0,1,0,1|1,0,1]=4 6778 B13R2.2121 COc1ccc2nn(cc2c1)C 34a_100000106843_200000210301 [0,0,0,1,0,1|2,0,0]=4 6779 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,0,0,1,0,1|1,0,0]=3 6780 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,0,0,1,0,1|1,0,0]=3 6781 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,0,0,1,0,1|2,0,0]=4 6782 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,0,0,1,0,1|2,0,0]=4 6783 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,0,0,1,0,1|1,0,0]=3 6784 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,0,0,1,0,1|1,0,0]=3 6785 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,0,0,1,0,1|2,0,0]=4 6786 B13R2.2121 COc1ccn2cc(nc2c1)C 34a_106256048495_200000210301 [0,0,0,1,0,1|2,0,0]=4 6787 B13R2.2121 CSc1cc2c(cn1)NC(=O)C2 62a_200000210301_100000104063 [0,0,0,1,0,1|1,1,0]=4 6788 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,0,0,1,0,1|1,1,0]=4 6789 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,0,0,1,0,1|1,1,0]=4 6790 B13R2.2121 CSc1ccc2[nH]c(cc2c1)C 62a_200000210301_100011214893 [0,0,0,1,0,1|1,1,0]=4 6791 B13R2.2121 CSc1ccc2[nH]c(nc2c1)C 62a_200000210301_100011264012 [0,0,0,1,0,1|1,1,0]=4 6792 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,0,0,1,0,1|0,1,0]=3 6793 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,0,0,1,0,1|0,1,0]=3 6794 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,0,0,1,0,1|1,1,0]=4 6795 B13R2.2121 CSc1ccc2c(n1)CC(=O)N2 62a_200000210301_100000087150 [0,0,0,1,0,1|1,1,0]=4 6796 B13R2.2121 CSc1ccc2cc([nH]c2c1)C 62a_200000210301_100010196937 [0,0,0,1,0,1|1,1,0]=4 6797 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,0,0,1,0,1|0,1,1]=4 6798 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_100009813144_200000210301 [0,0,0,1,0,1|0,2,0]=4 6799 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_200000210301_100009813144 [0,0,0,1,0,1|0,2,0]=4 6800 B13R2.2121 CSc1ccc2oc(nc2c1)C 62a_200000210301_100009816932 [0,0,0,1,0,1|1,1,0]=4 6801 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,0,0,1,0,1|1,1,0]=4 6802 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,0,0,1,0,1|1,1,0]=4 6803 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_100009813953_200000210301 [0,0,0,1,0,1|1,1,0]=4 6804 B13R2.2121 CSc1ccc2sc(nc2c1)C 62a_200000210301_100009813953 [0,0,0,1,0,1|1,1,0]=4 6805 B13R2.2121 CSc1cnc2c(c1)CC(=O)N2 62a_200000210301_100010177629 [0,0,0,1,0,1|1,1,0]=4 6806 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,0,0,1,0,1|1,0,0]=3 6807 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,0,0,1,0,1|1,0,0]=3 6808 B13R2.2121 Cc1cc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011214893 [0,0,0,1,0,1|1,1,0]=4 6809 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,0,0,1,0,1|1,1,0]=4 6810 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,0,0,1,0,1|1,1,0]=4 6811 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,0,0,1,0,1|1,0,0]=3 6812 B13R2.2121 Cc1cc2ccc(cc2[nH]1)S[13CH3] 62a_200025704644_100010196937 [0,0,0,1,0,1|1,1,0]=4 6813 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,0,0,1,0,1|0,0,1]=3 6814 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,0,0,1,0,1|0,0,1]=3 6815 B13R2.2121 Cc1cn2ccc(cc2n1)O[13CH3] 34a_106256048495_200025704644 [0,0,0,1,0,1|2,0,0]=4 6816 B13R2.2121 Cc1nc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011264012 [0,0,0,1,0,1|1,1,0]=4 6817 B13R2.2121 Cc1nc2cc(ccc2o1)N[13CH3] 34a_100000195416_200025704644 [0,0,0,1,0,1|2,0,0]=4 6818 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,0,0,1,0,1|1,0,0]=3 6819 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,0,0,1,0,1|1,0,0]=3 6820 B13R2.2121 Cc1nc2cc(ccc2o1)S[13CH3] 62a_200025704644_100009816932 [0,0,0,1,0,1|1,1,0]=4 6821 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,0,0,1,0,1|1,0,0]=3 6822 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,0,0,1,0,1|1,0,0]=3 6823 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_100009813953_200025704644 [0,0,0,1,0,1|1,1,0]=4 6824 B13R2.2121 Cc1nc2cc(ccc2s1)S[13CH3] 62a_200025704644_100009813953 [0,0,0,1,0,1|1,1,0]=4 6825 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,0,0,1,0,1|1,0,1]=4 6826 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,0,0,1,0,1|0,0,1]=3 6827 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,0,0,1,0,1|0,0,1]=3 6828 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,0,0,1,0,1|0,1,1]=4 6829 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,0,0,1,0,1|0,1,0]=3 6830 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,0,0,1,0,1|0,1,0]=3 6831 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_100009813144_200025704644 [0,0,0,1,0,1|0,2,0]=4 6832 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_200025704644_100009813144 [0,0,0,1,0,1|0,2,0]=4 6833 B13R2.2121 Cn1cc2cc(ccc2n1)O[13CH3] 34a_100000106843_200025704644 [0,0,0,1,0,1|2,0,0]=4 6834 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,0,0,1,0,1|1,0,0]=3 6835 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,0,0,1,0,1|0,0,0]=2 6836 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,0,0,1,0,1|0,0,0]=2 6837 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,0,0,1,0,1|1,1,0]=4 6838 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,0,0,1,0,1|1,1,0]=4 6839 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,0,0,1,0,1|2,0,0]=4 6840 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,0,0,1,0,1|2,0,0]=4 6841 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,0,0,1,0,1|2,0,0]=4 6842 B13R2.2121 [13CH3]Sc1cc2c(cn1)NC(=O)C2 62a_200025704644_100000104063 [0,0,0,1,0,1|1,1,0]=4 6843 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,0,0,1,0,1|1,1,0]=4 6844 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,0,0,1,0,1|1,1,0]=4 6845 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,0,0,1,0,1|0,1,0]=3 6846 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,0,0,1,0,1|0,1,0]=3 6847 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,0,0,1,0,1|1,1,0]=4 6848 B13R2.2121 [13CH3]Sc1ccc2c(n1)CC(=O)N2 62a_200025704644_100000087150 [0,0,0,1,0,1|1,1,0]=4 6849 B13R2.2121 [13CH3]Sc1cnc2c(c1)CC(=O)N2 62a_200025704644_100010177629 [0,0,0,1,0,1|1,1,0]=4 6850 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,1,0,1,0,0|1,0,0]=3 6851 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [0,1,0,1,0,0|1,0,0]=3 6852 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [0,1,0,1,0,0|1,0,0]=3 6853 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [0,1,0,1,0,0|1,0,0]=3 6854 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [0,1,0,1,0,0|1,0,0]=3 6855 B13R2.1139 O=C(CF)c1ccc2c(c1)CC2 1458a_100000137882_100015361967 [0,1,0,1,0,0|1,0,0]=3 6856 B13R2.2130 C=Cc1ccc2c(c1)CCC2=O 271570a_100011290941_100000737041 [0,1,0,1,0,0|1,0,1]=4 6857 B13R2.2130 C=Cc1ccc2c(c1)CNC2=O 271570a_100011290941_100000692135 [0,1,0,1,0,0|1,0,1]=4 6858 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,1,0,1,0,0|1,0,1]=4 6859 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|1,0,1]=4 6860 B13R2.2130 CNc1ccc2c(n1)CNC2=O 27a_100102657272_200009864240 [0,1,0,1,0,0|2,0,0]=4 6861 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,1,0,0|0,0,0]=2 6862 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,1,0,0|0,0,0]=2 6863 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,1,0,1,0,0|0,0,0]=2 6864 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|0,0,0]=2 6865 B13R2.2130 COc1ccc2c(c1)cnn2C 34a_100009859523_200000210301 [0,1,0,1,0,0|2,0,0]=4 6866 B13R2.2130 COc1ccc2c(c1)cnn2C 7a_100009859523_200000210301 [0,1,0,1,0,0|2,0,0]=4 6867 B13R2.2130 COc1ccc2c(c1)ncn2C 34a_100000028553_200000210301 [0,1,0,1,0,0|2,0,0]=4 6868 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,1,0,1,0,0|1,0,1]=4 6869 B13R2.2130 COc1ccc2c(noc2c1)C 34a_200000076027_200000210301 [0,1,0,1,0,0|0,0,1]=3 6870 B13R2.2130 CSc1ccc2c(=O)[nH][nH]c2c1 62a_200000210301_100012353722 [0,1,0,1,0,0|1,1,0]=4 6871 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,1,0,0|0,1,1]=4 6872 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,1,0,0|0,1,1]=4 6873 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,1,0,1,0,0|0,1,0]=3 6874 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,1,0,1,0,0|0,1,0]=3 6875 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_100000692135_200000210301 [0,1,0,1,0,0|0,1,0]=3 6876 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_200000210301_100000692135 [0,1,0,1,0,0|0,1,0]=3 6877 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,1,0,0|0,1,0]=3 6878 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,1,0,0|0,1,0]=3 6879 B13R2.2130 CSc1ccc2c(c[nH]c2c1)C 62a_200000210301_100010209589 [0,1,0,1,0,0|1,1,0]=4 6880 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,1,0,0|0,1,1]=4 6881 B13R2.2130 CSc1ccc2c(n1)CNC2=O 62a_200000210301_200009864240 [0,1,0,1,0,0|1,1,0]=4 6882 B13R2.2130 CSc1ccc2c(n1)CNC2=O 62a_200009864240_200000210301 [0,1,0,1,0,0|1,1,0]=4 6883 B13R2.2130 CSc1ccc2c(n[nH]c2c1)C 62a_200000210301_100009816850 [0,1,0,1,0,0|1,1,0]=4 6884 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_100009815287_200000210301 [0,1,0,1,0,0|0,1,1]=4 6885 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_200000210301_100009815287 [0,1,0,1,0,0|0,1,1]=4 6886 B13R2.2130 Cc1c[nH]c2c1ccc(c2)S[13CH3] 62a_200025704644_100010209589 [0,1,0,1,0,0|1,1,0]=4 6887 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,1,0,0|0,1,1]=4 6888 B13R2.2130 Cc1n[nH]c2c1ccc(c2)S[13CH3] 62a_200025704644_100009816850 [0,1,0,1,0,0|1,1,0]=4 6889 B13R2.2130 Cc1noc2c1ccc(c2)O[13CH3] 34a_200000076027_200025704644 [0,1,0,1,0,0|0,0,1]=3 6890 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_100009815287_200025704644 [0,1,0,1,0,0|0,1,1]=4 6891 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_200025704644_100009815287 [0,1,0,1,0,0|0,1,1]=4 6892 B13R2.2130 Cn1cnc2c1ccc(c2)O[13CH3] 34a_100000028553_200025704644 [0,1,0,1,0,0|2,0,0]=4 6893 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 34a_100009859523_200025704644 [0,1,0,1,0,0|2,0,0]=4 6894 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 7a_100009859523_200025704644 [0,1,0,1,0,0|2,0,0]=4 6895 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,1,0,0|0,0,0]=2 6896 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,1,0,0|0,0,0]=2 6897 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,1,0,1,0,0|0,0,0]=2 6898 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|0,0,0]=2 6899 B13R2.2130 [13CH3]Sc1ccc2c(=O)[nH][nH]c2c1 62a_200025704644_100012353722 [0,1,0,1,0,0|1,1,0]=4 6900 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,1,0,0|0,1,1]=4 6901 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,1,0,0|0,1,1]=4 6902 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,1,0,1,0,0|0,1,0]=3 6903 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,1,0,1,0,0|0,1,0]=3 6904 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_100000692135_200025704644 [0,1,0,1,0,0|0,1,0]=3 6905 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_200025704644_100000692135 [0,1,0,1,0,0|0,1,0]=3 6906 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,1,0,0|0,1,0]=3 6907 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,1,0,0|0,1,0]=3 6908 B13R2.2130 [13CH3]Sc1ccc2c(n1)CNC2=O 62a_200009864240_200025704644 [0,1,0,1,0,0|1,1,0]=4 6909 B13R2.2130 [13CH3]Sc1ccc2c(n1)CNC2=O 62a_200025704644_200009864240 [0,1,0,1,0,0|1,1,0]=4 6910 B13R2.430 C=C(C)c1cc2c(cn1)OCC2 271570a_100000694244_102495363667 [0,1,0,1,0,0|2,0,0]=4 6911 B13R2.430 C=C(C)c1ccc2c(c1)CC=C2 271570a_100000694244_200009818231 [0,1,0,1,0,0|2,0,0]=4 6912 B13R2.430 C=C(C)c1ccc2c(c1)CCC2 271570a_100000694244_100000745594 [0,1,0,1,0,0|2,0,0]=4 6913 B13R2.430 C=C(C)c1ccc2c(c1)CCN2 271570a_100000694244_100000026929 [0,1,0,1,0,0|2,0,0]=4 6914 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,1,0,1,0,0|1,0,0]=3 6915 B13R2.430 C=C(C)c1ccc2c(c1)CNC2 271570a_100000694244_100000702344 [0,1,0,1,0,0|2,0,0]=4 6916 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [0,1,0,1,0,0|1,0,0]=3 6917 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [0,1,0,1,0,0|2,0,0]=4 6918 B13R2.430 C=C(C)c1ccc2c(c1)OCC2 271570a_100000694244_100009818566 [0,1,0,1,0,0|2,0,0]=4 6919 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|1,0,0]=3 6920 B13R2.430 C=C(C)c1ccc2nonc2c1 271570a_100000694244_100009814275 [0,1,0,1,0,0|2,0,0]=4 6921 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,1,0,1,0,0|1,0,1]=4 6922 B13R2.430 C=C(C)c1ccc2ocnc2c1 271570a_100000694244_100009816175 [0,1,0,1,0,0|1,0,1]=4 6923 B13R2.430 C=C(C)c1ccc2oncc2c1 271570a_100000694244_100009817723 [0,1,0,1,0,0|1,0,1]=4 6924 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,1,0,1,0,0|1,0,1]=4 6925 B13R2.430 CC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200000210301 [0,1,0,1,0,0|1,0,1]=4 6926 B13R2.430 CC(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200000210301 [0,1,0,1,0,0|1,0,1]=4 6927 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,1,0,0|1,0,0]=3 6928 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|0,0,0]=2 6929 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|0,0,0]=2 6930 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,1,0,1,0,0|1,0,1]=4 6931 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,1,0,0|1,0,1]=4 6932 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,1,0,1,0,0|1,0,1]=4 6933 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200000210301 [0,1,0,1,0,0|2,0,0]=4 6934 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,1,0,0|1,0,1]=4 6935 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,1,0,1,0,0|1,0,1]=4 6936 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,1,0,1,0,0|1,0,0]=3 6937 B13R2.430 CC(=O)c1ccc2nsnc2c1 1458a_100000041451_200000210301 [0,1,0,1,0,0|1,1,0]=4 6938 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,1,0,0|0,0,1]=3 6939 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,1,0,1,0,0|0,0,1]=3 6940 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,1,0,1,0,0|0,1,1]=4 6941 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,1,0,1,0,0|0,1,1]=4 6942 B13R2.430 CC(=O)c1ccc2snnc2c1 1458a_100000038608_200000210301 [0,1,0,1,0,0|1,1,0]=4 6943 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,1,0,1,0,0|1,0,1]=4 6944 B13R2.430 [13CH3]C(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200025704644 [0,1,0,1,0,0|1,0,1]=4 6945 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ncc2c1 1458a_100000030791_200025704644 [0,1,0,1,0,0|1,0,1]=4 6946 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,1,0,0|1,0,0]=3 6947 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|0,0,0]=2 6948 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|0,0,0]=2 6949 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,1,0,1,0,0|1,0,1]=4 6950 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,1,0,0|1,0,1]=4 6951 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,1,0,1,0,0|1,0,1]=4 6952 B13R2.430 [13CH3]C(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200025704644 [0,1,0,1,0,0|2,0,0]=4 6953 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,1,0,0|1,0,1]=4 6954 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,1,0,1,0,0|1,0,1]=4 6955 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,1,0,1,0,0|1,0,0]=3 6956 B13R2.430 [13CH3]C(=O)c1ccc2nsnc2c1 1458a_100000041451_200025704644 [0,1,0,1,0,0|1,1,0]=4 6957 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,1,0,0|0,0,1]=3 6958 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,1,0,1,0,0|0,0,1]=3 6959 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,1,0,1,0,0|0,1,1]=4 6960 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,1,0,1,0,0|0,1,1]=4 6961 B13R2.430 [13CH3]C(=O)c1ccc2snnc2c1 1458a_100000038608_200025704644 [0,1,0,1,0,0|1,1,0]=4 6962 B13R2.2396 COc1ccc(cc1Br)C2CC2 271570a_100011220607_100011249507 [0,1,0,1,0,0|1,0,1]=4 6963 B13R2.2396 COc1ccc(cc1Br)C2CC2 34a_100135415898_200000210301 [0,1,0,1,0,0|1,0,1]=4 6964 B13R2.2396 COc1ccc(cc1Br)C2CC2 7a_100135415898_200000210301 [0,1,0,1,0,0|1,0,1]=4 6965 B13R2.2396 COc1ccc(cc1C)C2CC2 271570a_100011220607_100011219705 [0,1,0,1,0,0|1,0,1]=4 6966 B13R2.2396 COc1ccc(cc1Cl)C2CC2 271570a_100011220607_100012355395 [0,1,0,1,0,0|1,0,1]=4 6967 B13R2.2396 COc1ccc(cc1F)C2CC2 271570a_100011220607_100000185480 [0,1,0,1,0,0|1,0,1]=4 6968 B13R2.2396 COc1ccc(cc1F)C2CC2 34a_100013172525_200000210301 [0,1,0,1,0,0|1,0,1]=4 6969 B13R2.2396 COc1ccc(cc1F)C2CC2 7a_100013172525_200000210301 [0,1,0,1,0,0|1,0,1]=4 6970 B13R2.2396 COc1ccc(cc1N)C2CC2 271570a_100011220607_100000743470 [0,1,0,1,0,0|1,0,1]=4 6971 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [0,1,0,1,0,0|1,0,1]=4 6972 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 34a_100135415898_200025704644 [0,1,0,1,0,0|1,0,1]=4 6973 B13R2.2396 [13CH3]Oc1ccc(cc1Br)C2CC2 7a_100135415898_200025704644 [0,1,0,1,0,0|1,0,1]=4 6974 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 34a_100013172525_200025704644 [0,1,0,1,0,0|1,0,1]=4 6975 B13R2.2396 [13CH3]Oc1ccc(cc1F)C2CC2 7a_100013172525_200025704644 [0,1,0,1,0,0|1,0,1]=4 6976 B13R2.60 CCOc1ccc(cc1)C2CC2 271570a_100011220607_100000169946 [0,1,0,1,0,0|1,0,1]=4 6977 B13R2.60 CCOc1ccc(cc1)C2CC2 34a_100011997980_100000210202 [0,1,0,1,0,0|1,0,1]=4 6978 B13R2.60 CCOc1ccc(cc1)C2CC2 7a_100011997980_100000210202 [0,1,0,1,0,0|1,0,1]=4 6979 B13R2.60 COCc1ccc(cc1)C2CC2 271570a_100011220607_100011493685 [0,1,0,1,0,0|1,0,1]=4 6980 B13R2.60 COCc1ccc(cc1)C2CC2 34a_100011258775_200000210301 [0,1,0,1,0,0|1,0,1]=4 6981 B13R2.60 COCc1ccc(cc1)C2CC2 7a_100011258775_200000210301 [0,1,0,1,0,0|1,0,1]=4 6982 B13R2.60 FCOc1ccc(cc1)C2CC2 34a_100011997980_100015361967 [0,1,0,1,0,0|1,0,1]=4 6983 B13R2.60 FCOc1ccc(cc1)C2CC2 7a_100011997980_100015361967 [0,1,0,1,0,0|1,0,1]=4 6984 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 34a_100011258775_200025704644 [0,1,0,1,0,0|1,0,1]=4 6985 B13R2.60 [13CH3]OCc1ccc(cc1)C2CC2 7a_100011258775_200025704644 [0,1,0,1,0,0|1,0,1]=4 6986 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100000694244_100009820665 [0,1,0,1,0,0|2,0,0]=4 6987 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000185454 [0,1,0,1,0,0|2,0,0]=4 6988 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200000210301 [0,1,0,1,0,0|1,0,0]=3 6989 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000185465 [0,1,0,1,0,0|1,0,0]=3 6990 B13R2.428 CC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100000686046 [0,1,0,1,0,0|2,0,0]=4 6991 B13R2.428 CC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000684857 [0,1,0,1,0,0|2,0,0]=4 6992 B13R2.428 CS(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100009816266 [0,1,0,1,0,0|2,0,0]=4 6993 B13R2.428 NC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000162191 [0,1,0,1,0,0|2,0,0]=4 6994 B13R2.428 [13CH3]C(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200025704644 [0,1,0,1,0,0|1,0,0]=3 6995 B13R2.2170 COc1ccc(c(c1)Br)C2CC2 271570a_100011220607_100012349170 [0,1,0,1,0,0|1,0,1]=4 6996 B13R2.2170 COc1ccc(c(c1)C)C2CC2 271570a_100011220607_100000759875 [0,1,0,1,0,0|1,0,1]=4 6997 B13R2.2170 COc1ccc(c(c1)F)C2CC2 271570a_100011220607_100000753793 [0,1,0,1,0,0|1,0,1]=4 6998 B13R2.2170 COc1ccc(c(c1)N)C2CC2 271570a_100011220607_100000748021 [0,1,0,1,0,0|1,0,1]=4 6999 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [0,1,0,1,0,0|1,0,1]=4 7000 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,0,0,0,1,0|1,1,0]=4 7001 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,0,0,0,1,0|1,1,0]=4 7002 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,0,0,0,1,0|1,1,0]=4 7003 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,0,0,0,1,0|1,1,0]=4 7004 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,0,0,0,1,0|1,1,0]=4 7005 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,0,0,0,1,0|1,1,0]=4 7006 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,0,0,0,1,0|1,1,0]=4 7007 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,0,0,0,1,0|1,1,0]=4 7008 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,0,0,0,1,0|1,1,0]=4 7009 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,0,0,0,1,0|1,1,0]=4 7010 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,0,0,0,1,0|1,1,0]=4 7011 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,0,0,0,1,0|1,1,0]=4 7012 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,0,0,0,1,0|1,1,0]=4 7013 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,0,0,0,1,0|1,1,0]=4 7014 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,0,0,0,1,0|1,1,0]=4 7015 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,0,0,0,1,0|1,1,0]=4 7016 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,0,0,0,1,0|1,1,0]=4 7017 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,0,0,0,1,0|1,1,0]=4 7018 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,0,0,0,1,0|1,1,0]=4 7019 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,0,0,0,1,0|1,1,0]=4 7020 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,0,0,0,1,0|1,1,0]=4 7021 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,0,0,0,1,0|1,1,0]=4 7022 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,0,0,0,1,0|1,1,0]=4 7023 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,0,0,0,1,0|1,1,0]=4 7024 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,0,0,0,1,0|1,1,0]=4 7025 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,0,0,0,1,0|1,1,0]=4 7026 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,0,0,0,1,0|1,1,0]=4 7027 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,0,0,0,1,0|1,1,0]=4 7028 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,0,0,0,1,0|2,0,0]=4 7029 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,0,0,0,1,0|2,0,0]=4 7030 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [1,0,0,0,1,0|2,0,0]=4 7031 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,1,0|1,0,0]=3 7032 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|1,0,0]=3 7033 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,1,0|1,0,0]=3 7034 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,1,0|1,0,0]=3 7035 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,0,0,0,1,0|2,0,0]=4 7036 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,1,0|1,0,0]=3 7037 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [1,0,0,0,1,0|2,0,0]=4 7038 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,0,0,0,1,0|2,0,0]=4 7039 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [1,0,0,0,1,0|2,0,0]=4 7040 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|2,0,0]=4 7041 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,1,0|2,0,0]=4 7042 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,1,0|2,0,0]=4 7043 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,1,0|2,0,0]=4 7044 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,1,0|2,0,0]=4 7045 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,0,0,0,0,1|2,0,0]=4 7046 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,0,0,0,0,1|1,0,0]=3 7047 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,0,0,0,0,1|2,0,0]=4 7048 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,0,0,0,0,1|2,0,0]=4 7049 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,0,0,0,0,1|2,0,0]=4 7050 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,1|1,0,0]=3 7051 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [1,0,0,0,0,1|2,0,0]=4 7052 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [1,0,0,0,0,1|2,0,0]=4 7053 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [1,0,0,0,0,1|2,0,0]=4 7054 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,1|1,0,0]=3 7055 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,1|1,0,0]=3 7056 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|0,0,0]=2 7057 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|0,0,0]=2 7058 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,1|1,0,0]=3 7059 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,1|1,0,0]=3 7060 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,1|1,0,0]=3 7061 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,1|1,0,0]=3 7062 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,1|1,0,0]=3 7063 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,1|1,0,0]=3 7064 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|0,0,0]=2 7065 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|0,0,0]=2 7066 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,0,0,0,0,1|2,0,0]=4 7067 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,0,0,0,0,1|2,0,0]=4 7068 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,0,0,0,0,1|1,0,0]=3 7069 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,0,0,0,0,1|1,0,0]=3 7070 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,0,0,0,0,1|2,0,0]=4 7071 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,0,0,0,0,1|2,0,0]=4 7072 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,0,0,0,0,1|2,0,0]=4 7073 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,0,0,0,0,1|2,0,0]=4 7074 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,0,0,0,0,1|2,0,0]=4 7075 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,0,0,0,0,1|1,0,0]=3 7076 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,0,0,0,0,1|1,0,0]=3 7077 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,0,0,0,0,1|2,0,0]=4 7078 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,0,0,0,0,1|2,0,0]=4 7079 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,0,0,0,0,1|2,0,0]=4 7080 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [1,0,0,0,0,1|2,0,0]=4 7081 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [1,0,0,0,0,1|2,0,0]=4 7082 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,0,0,0,0,1|1,0,1]=4 7083 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,1|1,0,0]=3 7084 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,1|1,0,0]=3 7085 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,1|1,0,0]=3 7086 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,1|1,0,0]=3 7087 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|0,0,0]=2 7088 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|0,0,0]=2 7089 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|0,0,0]=2 7090 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|0,0,0]=2 7091 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,1|1,0,0]=3 7092 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,1|1,0,0]=3 7093 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,1|1,0,0]=3 7094 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,1|1,0,0]=3 7095 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,1|1,0,0]=3 7096 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,1|1,0,0]=3 7097 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,1|1,0,0]=3 7098 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,1|1,0,0]=3 7099 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,1|1,0,0]=3 7100 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,1|1,0,0]=3 7101 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,1|1,0,0]=3 7102 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,1|1,0,0]=3 7103 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|0,0,0]=2 7104 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|0,0,0]=2 7105 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,1|1,0,0]=3 7106 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,1|1,0,0]=3 7107 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [1,0,0,0,0,1|2,0,0]=4 7108 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [1,0,0,0,0,1|2,0,0]=4 7109 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|0,0,0]=2 7110 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|0,0,0]=2 7111 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,1|0,1,0]=3 7112 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,0,0,0,0,1|1,0,1]=4 7113 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,0,0,0,0,1|1,0,1]=4 7114 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,0,0,0,0,1|1,0,1]=4 7115 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,0,0,0,0,1|1,0,1]=4 7116 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,0,0,0,0,1|1,0,1]=4 7117 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,0,0,0,0,1|1,0,1]=4 7118 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,0,0,0,0,1|2,0,0]=4 7119 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,0,0,0,0,1|2,0,0]=4 7120 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,0,0,0,0,1|2,0,0]=4 7121 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,0,0,0,0,1|2,0,0]=4 7122 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,0,0,0,0,1|2,0,0]=4 7123 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|0,0,0]=2 7124 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,0,0,0,0,1|2,0,0]=4 7125 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,0,0,0,0,1|2,0,0]=4 7126 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,0,0,0,0,1|2,0,0]=4 7127 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,0,0,0,0,1|2,0,0]=4 7128 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,0,0,0,0,1|2,0,0]=4 7129 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,0,0,0,0,1|2,0,0]=4 7130 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,0,0,0,0,1|2,0,0]=4 7131 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,0,0,0,0,1|2,0,0]=4 7132 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,0,0,0,0,1|2,0,0]=4 7133 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,0,0,0,0,1|1,0,1]=4 7134 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,0,0,0,0,1|1,0,1]=4 7135 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,0,0,0,0,1|1,0,1]=4 7136 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,0,0,0,0,1|1,0,1]=4 7137 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,0,0,0,0,1|1,0,1]=4 7138 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,0,0,0,0,1|1,0,0]=3 7139 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,0,0,0,0,1|1,0,0]=3 7140 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|1,0,0]=3 7141 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,1|2,0,0]=4 7142 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,1|2,0,0]=4 7143 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|1,0,0]=3 7144 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,1|2,0,0]=4 7145 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,1|2,0,0]=4 7146 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,1|1,0,0]=3 7147 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,1|1,0,0]=3 7148 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,1|1,0,0]=3 7149 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,1|1,0,0]=3 7150 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|0,0,0]=2 7151 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,0,0,0,0,1|2,0,0]=4 7152 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,0,0,0,0,1|2,0,0]=4 7153 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,0,0,0,0,1|2,0,0]=4 7154 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,0,0,0,0,1|2,0,0]=4 7155 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,0,0,0,0,1|1,0,1]=4 7156 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,0,0,0,1,1|1,0,1]=4 7157 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,0,0,0,1,1|1,0,1]=4 7158 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,0,0,0,1,1|2,0,0]=4 7159 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,0,0,0,1,1|2,0,0]=4 7160 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,0,0,0,1,1|1,0,0]=3 7161 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,0,0,0,1,1|1,1,0]=4 7162 B11R1.266 C=C(C)c1cc(cnn1)OC 271570a_100000694244_100000087634 [0,0,0,0,1,1|2,0,0]=4 7163 B11R1.266 C=C(C)c1cc(ncn1)OC 271570a_100000694244_100012187182 [0,0,0,0,1,1|2,0,0]=4 7164 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,0,0,0,1,1|2,0,0]=4 7165 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,0,0,0,1,1|2,0,0]=4 7166 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,0,0,0,1,1|1,0,0]=3 7167 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,0,0,0,1,1|1,1,0]=4 7168 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,0,0,0,1,1|1,1,0]=4 7169 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,0,0,0,1,1|1,1,0]=4 7170 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,0,0,0,1,1|1,1,0]=4 7171 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,0,0,0,1,1|1,1,0]=4 7172 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,0,0,0,1,1|2,0,0]=4 7173 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [0,0,0,0,1,1|2,0,0]=4 7174 B11R1.266 C=C(C)c1ccnc(c1)NC 271570a_100000694244_100009819592 [0,0,0,0,1,1|2,0,0]=4 7175 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,0,0,0,1,1|1,0,0]=3 7176 B11R1.266 C=C(C)c1ccnc(n1)OC 271570a_100000694244_100000069072 [0,0,0,0,1,1|2,0,0]=4 7177 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,0,0,0,1,1|2,0,0]=4 7178 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [0,0,0,0,1,1|2,0,0]=4 7179 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,0,0,0,1,1|1,0,0]=3 7180 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [0,0,0,0,1,1|1,1,0]=4 7181 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [0,0,0,0,1,1|1,1,0]=4 7182 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [0,0,0,0,1,1|1,1,0]=4 7183 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [0,0,0,0,1,1|1,1,0]=4 7184 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [0,0,0,0,1,1|1,1,0]=4 7185 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,0,0,0,1,1|2,0,0]=4 7186 B11R1.266 C=C(C)c1nccc(n1)OC 271570a_100000694244_100000182009 [0,0,0,0,1,1|2,0,0]=4 7187 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,0,0,0,1,1|1,0,1]=4 7188 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,0,0,0,1,1|1,0,1]=4 7189 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,0,0,0,1,1|1,0,1]=4 7190 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,0,0,0,1,1|1,0,1]=4 7191 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,0,0,0,1,1|1,0,1]=4 7192 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,0,0,0,1,1|1,0,1]=4 7193 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,0,0,0,1,1|0,1,0]=3 7194 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,0,0,0,1,1|0,1,0]=3 7195 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,0,0,0,1,1|2,0,0]=4 7196 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,0,0,0,1,1|2,0,0]=4 7197 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,0,0,0,1,1|0,0,0]=2 7198 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,0,0,0,1,1|0,0,0]=2 7199 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,0,0,0,1,1|0,1,0]=3 7200 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,0,0,0,1,1|0,1,0]=3 7201 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,0,0,0,1,1|1,1,0]=4 7202 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,0,0,0,1,1|1,1,0]=4 7203 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,0,0,0,1,1|0,1,0]=3 7204 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,0,0,0,1,1|0,1,0]=3 7205 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,0,0,0,1,1|1,1,0]=4 7206 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,0,0,0,1,1|1,1,0]=4 7207 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,0,0,0,1,1|0,1,0]=3 7208 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,0,0,0,1,1|0,1,0]=3 7209 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,0,0,0,1,1|1,0,1]=4 7210 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,0,0,0,1,1|1,0,1]=4 7211 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [0,0,0,0,1,1|1,0,1]=4 7212 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [0,0,0,0,1,1|1,0,1]=4 7213 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,0,0,0,1,1|0,0,2]=4 7214 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,0,0,0,1,1|0,0,2]=4 7215 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,0,0,0,1,1|1,0,0]=3 7216 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,0,0,0,1,1|1,0,0]=3 7217 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [0,0,0,0,1,1|2,0,0]=4 7218 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,0,0,0,1,1|2,0,0]=4 7219 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,0,0,0,1,1|2,0,0]=4 7220 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,0,0,0,1,1|2,0,0]=4 7221 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,0,0,0,1,1|2,0,0]=4 7222 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,0,0,0,1,1|0,0,0]=2 7223 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,0,0,0,1,1|0,0,0]=2 7224 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,0,0,0,1,1|0,0,0]=2 7225 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,0,0,0,1,1|1,0,0]=3 7226 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,0,0,0,1,1|1,0,0]=3 7227 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,0,0,0,1,1|0,0,0]=2 7228 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,0,0,0,1,1|1,1,0]=4 7229 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,0,0,0,1,1|1,0,1]=4 7230 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,0,0,0,1,1|1,0,1]=4 7231 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [0,0,0,0,1,1|1,0,1]=4 7232 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [0,0,0,0,1,1|1,0,1]=4 7233 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,0,0,0,1,1|0,0,2]=4 7234 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,0,0,0,1,1|0,0,2]=4 7235 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [0,0,0,0,1,1|2,0,0]=4 7236 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [0,0,0,0,1,1|2,0,0]=4 7237 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [0,0,0,0,1,1|2,0,0]=4 7238 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [0,0,0,0,1,1|2,0,0]=4 7239 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [0,0,0,0,1,1|2,0,0]=4 7240 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [0,0,0,0,1,1|2,0,0]=4 7241 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [0,0,0,0,1,1|2,0,0]=4 7242 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,0,0,0,1,1|2,0,0]=4 7243 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,0,0,0,1,1|2,0,0]=4 7244 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,0,0,0,1,1|1,0,0]=3 7245 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,0,0,0,1,1|2,0,0]=4 7246 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,0,0,0,1,1|2,0,0]=4 7247 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,0,0,0,1,1|1,1,0]=4 7248 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,0,0,0,1,1|1,1,0]=4 7249 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,0,0,0,1,1|0,1,0]=3 7250 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,0,0,0,1,1|0,1,0]=3 7251 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,0,0,0,1,1|1,1,0]=4 7252 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,0,0,0,1,1|1,1,0]=4 7253 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,0,0,0,1,1|0,1,0]=3 7254 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,0,0,0,1,1|0,1,0]=3 7255 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,0,0,0,1,1|0,1,0]=3 7256 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,0,0,0,1,1|1,1,0]=4 7257 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,0,0,0,1,1|1,1,0]=4 7258 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,0,0,0,1,1|0,1,0]=3 7259 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,0,0,0,1,1|1,1,0]=4 7260 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,0,0,0,1,1|1,1,0]=4 7261 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,0,0,0,1,1|1,1,0]=4 7262 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,0,0,0,1,1|1,1,0]=4 7263 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,0,0,0,1,1|0,1,0]=3 7264 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,0,0,0,1,1|0,1,0]=3 7265 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,0,0,0,1,1|1,1,0]=4 7266 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,0,0,0,1,1|1,1,0]=4 7267 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,0,0,0,1,1|0,1,0]=3 7268 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,0,0,0,1,1|0,1,0]=3 7269 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,0,0,0,1,1|1,1,0]=4 7270 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,0,0,0,1,1|1,1,0]=4 7271 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,0,0,0,1,1|1,1,0]=4 7272 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,0,0,0,1,1|1,1,0]=4 7273 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,0,0,0,1,1|2,0,0]=4 7274 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,0,0,0,1,1|2,0,0]=4 7275 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,0,0,0,1,1|2,0,0]=4 7276 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,0,0,0,1,1|1,0,0]=3 7277 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,0,0,0,1,1|1,0,0]=3 7278 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,0,0,0,1,1|1,1,0]=4 7279 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,0,0,0,1,1|2,0,0]=4 7280 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,0,0,0,1,1|2,0,0]=4 7281 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,0,0,0,1,1|1,0,0]=3 7282 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,0,0,0,1,1|2,0,0]=4 7283 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,0,0,0,1,1|2,0,0]=4 7284 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,0,0,0,1,1|1,1,0]=4 7285 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,0,0,0,1,1|1,1,0]=4 7286 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,0,0,0,1,1|1,1,0]=4 7287 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,0,0,0,1,1|1,1,0]=4 7288 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,0,0,0,1,1|1,1,0]=4 7289 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,0,0,0,1,1|1,1,0]=4 7290 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,0,0,0,1,1|1,1,0]=4 7291 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,0,0,0,1,1|1,1,0]=4 7292 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 11a_100015199678_100015343762 [0,0,0,0,0,2|1,0,1]=4 7293 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 1626a_100015199678_100015343762 [0,0,0,0,0,2|1,0,1]=4 7294 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 240690a_100015199678_100015343762 [0,0,0,0,0,2|1,0,1]=4 7295 B13R1.3 C#Cc1ccc(cc1)CNC(=O)C 527a_100015199678_100103153847 [0,0,0,0,0,2|1,0,1]=4 7296 B13R1.3 C=C(C)CNc1ccc(cc1)CC 2230a_100000211069_100000748629 [0,0,0,0,0,2|2,0,0]=4 7297 B13R1.3 C=C(C)CNc1ccc(cc1)CC 34a_100000211069_100000748629 [0,0,0,0,0,2|2,0,0]=4 7298 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,0,0,0,0,2|1,0,0]=3 7299 B13R1.3 C=C(C)CNc1ccc(cc1)SC 34a_100000212337_100000748629 [0,0,0,0,0,2|1,1,0]=4 7300 B13R1.3 C=C(C)COc1ccc(cc1)CC 34a_100000211359_100000748629 [0,0,0,0,0,2|2,0,0]=4 7301 B13R1.3 C=C(C)COc1ccc(cc1)CC 7a_100000211359_100000748629 [0,0,0,0,0,2|2,0,0]=4 7302 B13R1.3 C=C(C)COc1ccc(cc1)NC 2230a_200015186533_200000210301 [0,0,0,0,0,2|2,0,0]=4 7303 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_100000182112_100000748629 [0,0,0,0,0,2|2,0,0]=4 7304 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_200015186533_200000210301 [0,0,0,0,0,2|2,0,0]=4 7305 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 2230a_200015186533_200025704644 [0,0,0,0,0,2|2,0,0]=4 7306 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 34a_200015186533_200025704644 [0,0,0,0,0,2|2,0,0]=4 7307 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,0,0,0,0,2|1,0,0]=3 7308 B13R1.3 C=C(C)COc1ccc(cc1)SC 34a_100000211864_100000748629 [0,0,0,0,0,2|1,1,0]=4 7309 B13R1.3 C=C(C)COc1ccc(cn1)OC 34a_100012002028_100000748629 [0,0,0,0,0,2|2,0,0]=4 7310 B13R1.3 C=C(C)COc1ccc(nc1)OC 34a_100011934560_100000748629 [0,0,0,0,0,2|2,0,0]=4 7311 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100000748629_100011215824 [0,0,0,0,0,2|2,0,0]=4 7312 B13R1.3 C=C(C)CSc1ccc(cc1)CC 62a_100011215824_100000211660 [0,0,0,0,0,2|2,0,0]=4 7313 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000743151_100000211660 [0,0,0,0,0,2|2,0,0]=4 7314 B13R1.3 C=C(C)CSc1ccc(cc1)NC 62a_100000748629_100000743151 [0,0,0,0,0,2|2,0,0]=4 7315 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,0,0,0,0,2|1,0,0]=3 7316 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100000748629_100011263217 [0,0,0,0,0,2|1,1,0]=4 7317 B13R1.3 C=C(C)CSc1ccc(cc1)SC 62a_100011263217_100000211660 [0,0,0,0,0,2|1,1,0]=4 7318 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000748629_100000744180 [0,0,0,0,0,2|2,0,0]=4 7319 B13R1.3 C=C(C)CSc1ccc(cn1)OC 62a_100000755202_100000211660 [0,0,0,0,0,2|2,0,0]=4 7320 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000047065_100000211660 [0,0,0,0,0,2|2,0,0]=4 7321 B13R1.3 C=C(C)CSc1ccc(nc1)OC 62a_100000748629_100000047065 [0,0,0,0,0,2|2,0,0]=4 7322 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,0,0,0,0,2|1,0,1]=4 7323 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,0,0,0,0,2|1,0,1]=4 7324 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,0,0,0,0,2|1,0,1]=4 7325 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [0,0,0,0,0,2|1,0,1]=4 7326 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [0,0,0,0,0,2|1,0,1]=4 7327 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [0,0,0,0,0,2|1,0,1]=4 7328 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 11a_200011934891_100015343762 [0,0,0,0,0,2|1,0,1]=4 7329 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 1626a_200011934891_100015343762 [0,0,0,0,0,2|1,0,1]=4 7330 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 240690a_200011934891_100015343762 [0,0,0,0,0,2|1,0,1]=4 7331 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 271570a_100011290941_200000685173 [0,0,0,0,0,2|1,0,1]=4 7332 B13R1.3 C=Cc1ccc(cc1)CNC(=O)C 527a_200011934891_100103153847 [0,0,0,0,0,2|1,0,1]=4 7333 B13R1.3 C=Cc1ccc(cc1)NNC(=O)C 271570a_100011290941_200009815283 [0,0,0,0,0,2|1,0,1]=4 7334 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,0,0,0,0,2|0,0,0]=2 7335 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,0,0,0,0,2|0,1,0]=3 7336 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,0,0,0,0,2|0,1,0]=3 7337 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [0,0,0,0,0,2|2,0,0]=4 7338 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [0,0,0,0,0,2|2,0,0]=4 7339 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [0,0,0,0,0,2|2,0,0]=4 7340 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,0,0,0,0,2|0,0,0]=2 7341 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,0,0,0,0,2|0,0,0]=2 7342 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,0,0,0,0,2|0,1,0]=3 7343 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,0,0,0,0,2|0,1,0]=3 7344 B13R1.3 CC(=O)COc1ccc(cc1)C#N 1458a_100000182482_200000210301 [0,0,0,0,0,2|2,0,0]=4 7345 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,0,0,0,0,2|2,0,0]=4 7346 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 11a_100015207190_100015343762 [0,0,0,0,0,2|2,0,0]=4 7347 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 1626a_100015207190_100015343762 [0,0,0,0,0,2|2,0,0]=4 7348 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 240690a_100015207190_100015343762 [0,0,0,0,0,2|2,0,0]=4 7349 B13R1.3 CC(=O)NCc1ccc(cc1)C#N 527a_100015207190_100103153847 [0,0,0,0,0,2|2,0,0]=4 7350 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,0,0,0,0,2|2,0,0]=4 7351 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,0,0,0,0,2|2,0,0]=4 7352 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,0,0,0,0,2|1,0,0]=3 7353 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,0,0,0,0,2|0,1,0]=3 7354 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,0,0,0,0,2|0,1,0]=3 7355 B13R1.3 CC(=O)NN=C1C=CC(=NCl)C=C1 4a_100000189765_100000088476 [0,0,0,0,0,2|2,0,0]=4 7356 B13R1.3 CC(=O)NN=C1C=CC(=NO)C=C1 4a_100000189765_200000095120 [0,0,0,0,0,2|2,0,0]=4 7357 B13R1.3 CC(=O)NNc1ccc(cc1)C#N 22a_100000739705_100000070787 [0,0,0,0,0,2|2,0,0]=4 7358 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200009815283_200025704644 [0,0,0,0,0,2|0,1,0]=3 7359 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200025704644_200009815283 [0,0,0,0,0,2|0,1,0]=3 7360 B13R1.3 CC(=O)NNc1ccc(cn1)S[13CH3] 62a_200010175596_200025704644 [0,0,0,0,0,2|1,1,0]=4 7361 B13R1.3 CC(=O)NNc1ccc(cn1)S[13CH3] 62a_200025704644_200010175596 [0,0,0,0,0,2|1,1,0]=4 7362 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,0,0,0,0,2|0,0,2]=4 7363 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,0,0,0,0,2|0,0,2]=4 7364 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,0,0,0,0,2|1,0,0]=3 7365 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,0,0,0,0,2|1,0,0]=3 7366 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,0,0,0,0,2|1,0,0]=3 7367 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,0,0,0,0,2|1,0,0]=3 7368 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,0,0,0,0,2|1,0,0]=3 7369 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,0,0,0,0,2|1,0,0]=3 7370 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,0,0,0,0,2|1,0,0]=3 7371 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,0,0,0,0,2|1,0,0]=3 7372 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,0,0,0,0,2|2,0,0]=4 7373 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,0,0,0,0,2|2,0,0]=4 7374 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,0,0,0,0,2|2,0,0]=4 7375 B13R1.3 CCc1ccc(cc1)NNC(=O)C 22a_100015204395_100000070787 [0,0,0,0,0,2|1,0,0]=3 7376 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,0,0,0,0,2|1,0,0]=3 7377 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,0,0,0,0,2|2,0,0]=4 7378 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,0,0,0,0,2|2,0,0]=4 7379 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,0,0,0,0,2|1,0,0]=3 7380 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,0,0,0,0,2|2,0,0]=4 7381 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,0,0,0,0,2|2,0,0]=4 7382 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,0,0,0,0,2|2,0,0]=4 7383 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,0,0,0,0,2|2,0,0]=4 7384 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,0,0,0,0,2|2,0,0]=4 7385 B13R1.3 CCc1ccc(nc1)CNC(=O)C 11a_100000069493_100015343762 [0,0,0,0,0,2|2,0,0]=4 7386 B13R1.3 CCc1ccc(nc1)CNC(=O)C 1626a_100000069493_100015343762 [0,0,0,0,0,2|2,0,0]=4 7387 B13R1.3 CCc1ccc(nc1)CNC(=O)C 240690a_100000069493_100015343762 [0,0,0,0,0,2|2,0,0]=4 7388 B13R1.3 CCc1ccc(nc1)CNC(=O)C 527a_100000069493_100103153847 [0,0,0,0,0,2|2,0,0]=4 7389 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,0,0,0,0,2|1,0,0]=3 7390 B13R1.3 CNc1ccc(cc1)CNC(=O)N 34a_100000747042_200000210301 [0,0,0,0,0,2|2,0,0]=4 7391 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,0,0,0,0,2|2,0,0]=4 7392 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,0,0,0,0,2|2,0,0]=4 7393 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,0,0,0,0,2|2,0,0]=4 7394 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,0,0,0,0,2|2,0,0]=4 7395 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,0,0,0,0,2|2,0,0]=4 7396 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,0,0,0,0,2|2,0,0]=4 7397 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,0,0,0,0,2|2,0,0]=4 7398 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,0,0,0,0,2|2,0,0]=4 7399 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,0,0,0,0,2|0,0,0]=2 7400 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,0,0,0,0,2|2,0,0]=4 7401 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,0,0,0,0,2|0,0,0]=2 7402 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,0,0,0,0,2|0,0,0]=2 7403 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,0,0,0,0,2|0,0,0]=2 7404 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,0,0,0,0,2|0,0,0]=2 7405 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,0,0,0,0,2|1,0,1]=4 7406 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,0,0,0,0,2|0,0,2]=4 7407 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,0,0,0,0,2|0,0,0]=2 7408 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,0,0,0,0,2|0,0,0]=2 7409 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,0,0,0,0,2|0,0,0]=2 7410 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,0,0,0,0,2|0,0,0]=2 7411 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,0,0,0,0,2|0,0,0]=2 7412 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,0,0,0,0,2|0,0,2]=4 7413 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,0,0,0,0,2|0,0,2]=4 7414 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100000225672_200000210301 [0,0,0,0,0,2|2,0,0]=4 7415 B13R1.3 COc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713689 [0,0,0,0,0,2|2,0,0]=4 7416 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100000225672_200000210301 [0,0,0,0,0,2|2,0,0]=4 7417 B13R1.3 COc1ccc(cc1)CCN(C)C 269982a_100102631434_100000184700 [0,0,0,0,0,2|2,0,0]=4 7418 B13R1.3 COc1ccc(cc1)CCN(C)C 270004a_100102631434_100011242372 [0,0,0,0,0,2|2,0,0]=4 7419 B13R1.3 COc1ccc(cc1)CCN(C)C 34a_100000225672_200000210301 [0,0,0,0,0,2|2,0,0]=4 7420 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 2230a_100000225672_200025704644 [0,0,0,0,0,2|2,0,0]=4 7421 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 269982a_100000225672_200025704644 [0,0,0,0,0,2|2,0,0]=4 7422 B13R1.3 COc1ccc(cc1)CCN(C)[13CH3] 34a_100000225672_200025704644 [0,0,0,0,0,2|2,0,0]=4 7423 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,0,0,0,0,2|0,0,0]=2 7424 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,0,0,0,0,2|0,0,0]=2 7425 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,0,0,0,0,2|0,0,0]=2 7426 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,0,0,0,0,2|0,0,0]=2 7427 B13R1.3 COc1ccc(cc1)CNC(C)C 207a_100138425928_100000169835 [0,0,0,0,0,2|1,0,1]=4 7428 B13R1.3 COc1ccc(cc1)CNC(C)C 2230a_100138425928_100000742318 [0,0,0,0,0,2|1,0,1]=4 7429 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100000185587_100000210206 [0,0,0,0,0,2|1,0,1]=4 7430 B13R1.3 COc1ccc(cc1)CNC(C)C 34a_100138425928_100000742318 [0,0,0,0,0,2|1,0,1]=4 7431 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000173359_100000210206 [0,0,0,0,0,2|1,0,1]=4 7432 B13R1.3 COc1ccc(cc1)COC(C)C 34a_100000212225_100000742318 [0,0,0,0,0,2|1,0,1]=4 7433 B13R1.3 COc1ccc(cc1)CSC(C)C 62a_100000210206_100000742318 [0,0,0,0,0,2|1,0,1]=4 7434 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,0,0,0,0,2|1,0,0]=3 7435 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,0,0,0,0,2|1,0,0]=3 7436 B13R1.3 COc1ccc(cc1)NCC(C)C 34a_100000184247_100000210624 [0,0,0,0,0,2|1,0,1]=4 7437 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,0,0,0,0,2|0,0,2]=4 7438 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,0,0,0,0,2|0,0,2]=4 7439 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,0,0,0,0,2|2,0,0]=4 7440 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,0,0,0,0,2|0,0,0]=2 7441 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,0,0,0,0,2|0,0,0]=2 7442 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,0,0,0,0,2|1,0,0]=3 7443 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,0,0,0,0,2|0,0,0]=2 7444 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,0,0,0,0,2|1,0,0]=3 7445 B13R1.3 COc1ccc(cc1)OCC(C)C 34a_100000210503_100000210624 [0,0,0,0,0,2|1,0,1]=4 7446 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,0,0,0,0,2|0,0,2]=4 7447 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,0,0,0,0,2|0,0,2]=4 7448 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,0,0,0,0,2|2,0,0]=4 7449 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,0,0,0,0,2|0,0,0]=2 7450 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,0,0,0,0,2|1,0,0]=3 7451 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,0,0,0,0,2|0,0,0]=2 7452 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,0,0,0,0,2|1,0,0]=3 7453 B13R1.3 COc1ccc(cc1)SCC(C)C 62a_100000210624_100000171711 [0,0,0,0,0,2|1,0,1]=4 7454 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,0,0,0,0,2|0,0,2]=4 7455 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,0,0,0,0,2|0,0,2]=4 7456 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,0,0,0,0,2|1,0,0]=3 7457 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,0,0,0,0,2|1,0,0]=3 7458 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,0,0,0,0,2|1,0,0]=3 7459 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,0,0,0,0,2|1,0,0]=3 7460 B13R1.3 COc1ccc(cn1)NNC(=O)C 22a_100102564821_100000070787 [0,0,0,0,0,2|1,0,0]=3 7461 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,0,0,0,0,2|2,0,0]=4 7462 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,0,0,0,0,2|2,0,0]=4 7463 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000047065_100000747473 [0,0,0,0,0,2|2,0,0]=4 7464 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000747473_100000047065 [0,0,0,0,0,2|2,0,0]=4 7465 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100000047065_100020667443 [0,0,0,0,0,2|2,0,0]=4 7466 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000047065 [0,0,0,0,0,2|2,0,0]=4 7467 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,0,0,0,0,2|1,0,0]=3 7468 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,0,0,0,0,2|1,0,0]=3 7469 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,0,0,0,0,2|1,0,0]=3 7470 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,0,0,0,0,2|1,0,0]=3 7471 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,0,0,0,0,2|2,0,0]=4 7472 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,0,0,0,0,2|2,0,0]=4 7473 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000747473_100000744180 [0,0,0,0,0,2|2,0,0]=4 7474 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000755202_100000747473 [0,0,0,0,0,2|2,0,0]=4 7475 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100000755202_100020667443 [0,0,0,0,0,2|2,0,0]=4 7476 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000744180 [0,0,0,0,0,2|2,0,0]=4 7477 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,0,0,0,0,2|0,1,0]=3 7478 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,0,0,0,0,2|0,1,0]=3 7479 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,0,0,0,0,2|0,1,0]=3 7480 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,0,0,0,0,2|0,1,0]=3 7481 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,0,0,0,0,2|0,1,0]=3 7482 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,0,0,0,0,2|0,1,0]=3 7483 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,0,0,0,0,2|0,1,0]=3 7484 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,0,0,0,0,2|1,1,0]=4 7485 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,0,0,0,0,2|1,1,0]=4 7486 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,0,0,0,0,2|0,1,0]=3 7487 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,0,0,0,0,2|0,1,0]=3 7488 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,0,0,0,0,2|0,1,0]=3 7489 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,0,0,0,0,2|0,1,0]=3 7490 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,0,0,0,0,2|0,1,0]=3 7491 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,0,0,0,0,2|0,1,0]=3 7492 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,0,0,0,0,2|1,1,0]=4 7493 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,0,0,0,0,2|1,1,0]=4 7494 B13R1.3 CSc1ccc(cc1)NNC(=O)C 22a_100000006515_100000070787 [0,0,0,0,0,2|0,1,0]=3 7495 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200000210301_200009815283 [0,0,0,0,0,2|0,1,0]=3 7496 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200009815283_200000210301 [0,0,0,0,0,2|0,1,0]=3 7497 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,0,0,0,0,2|1,1,0]=4 7498 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,0,0,0,0,2|1,1,0]=4 7499 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,0,0,0,0,2|1,1,0]=4 7500 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,0,0,0,0,2|1,1,0]=4 7501 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,0,0,0,0,2|1,1,0]=4 7502 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,0,0,0,0,2|1,1,0]=4 7503 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,0,0,0,0,2|1,1,0]=4 7504 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,0,0,0,0,2|1,1,0]=4 7505 B13R1.3 CSc1ccc(nc1)NNC(=O)C 62a_200000210301_200010175596 [0,0,0,0,0,2|1,1,0]=4 7506 B13R1.3 CSc1ccc(nc1)NNC(=O)C 62a_200010175596_200000210301 [0,0,0,0,0,2|1,1,0]=4 7507 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [0,0,0,0,0,2|2,0,0]=4 7508 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [0,0,0,0,0,2|2,0,0]=4 7509 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)C#N 1458a_100000182482_200025704644 [0,0,0,0,0,2|2,0,0]=4 7510 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,0,0,0,0,2|2,0,0]=4 7511 B13R1.3 [13CH3]Nc1ccc(cc1)CNC(=O)N 34a_100000747042_200025704644 [0,0,0,0,0,2|2,0,0]=4 7512 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,0,0,0,0,2|2,0,0]=4 7513 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,0,0,0,0,2|2,0,0]=4 7514 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,0,0,0,0,2|2,0,0]=4 7515 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,0,0,0,0,2|1,1,0]=4 7516 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,0,0,0,0,2|1,1,0]=4 7517 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,0,0,0,0,2|1,1,0]=4 7518 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,0,0,0,0,2|1,1,0]=4